From bd85e5305c4e16f72a875e7fe71c5c76bc15174c Mon Sep 17 00:00:00 2001 From: Paul Saxe Date: Wed, 13 Mar 2024 12:59:45 -0400 Subject: [PATCH 1/4] Pulling in older changes. --- molsystem/cif.py | 52 +++++++++++++++++++++++++++++++++++++----- molsystem/openbabel.py | 9 +++++++- tests/test_cif.py | 6 ++--- 3 files changed, 57 insertions(+), 10 deletions(-) diff --git a/molsystem/cif.py b/molsystem/cif.py index 65d9fdb..2b0c0c8 100644 --- a/molsystem/cif.py +++ b/molsystem/cif.py @@ -17,6 +17,7 @@ import io import json import logging +import re import CifFile @@ -113,9 +114,15 @@ def to_cif_text(self): # Get the chemical formula formula, empirical_formula, Z = self.formula - _id = empirical_formula.replace(" ", "") + system_name = self.system.name + conf_name = self.name + if system_name == "" or conf_name == "": + _id = empirical_formula.replace(" ", "") + else: + _id = f"SEAMM:{system_name}/{conf_name}" + _id = _id.replace(" ", "") - # And created the file, line-by-line + # And create the file, line-by-line lines = [] lines.append("# Generated by MolSSI SEAMM") lines.append(f"data_{_id}") @@ -130,7 +137,7 @@ def to_cif_text(self): if spgname == "": pass elif symmetry.n_symops == 1: - lines.append("space_group_name_H-M_full 'P 1'") + lines.append("_space_group_name_H-M_full 'P 1'") else: spgname_system = symmetry.spacegroup_names_to_system[spgname] lines.append(f"_space_group_{spgname_system} '{spgname}'") @@ -447,9 +454,42 @@ def from_cif_text(self, text): symbol = "H" # May have uncertainties in () - x = float(x.split("(")[0]) - y = float(y.split("(")[0]) - z = float(z.split("(")[0]) + x = x.split("(")[0] + y = y.split("(")[0] + z = z.split("(")[0] + + # Check for 1/3 and 2/3 + if "." in x: + xx, dx = x.split(".") + if re.fullmatch(r"333+", dx): + x = float(xx) - 1.0 / 3.0 if "-" in xx else float(xx) + 1.0 / 3.0 + elif re.fullmatch(r"66+(6|7)?", dx): + x = float(xx) - 2.0 / 3.0 if "-" in xx else float(xx) + 2.0 / 3.0 + else: + x = float(x) + else: + x = float(x) + if "." in y: + yy, dy = y.split(".") + if re.fullmatch(r"333+", dy): + y = float(yy) - 1.0 / 3.0 if "-" in yy else float(yy) + 1.0 / 3.0 + elif re.fullmatch(r"66+(6|7)?", dy): + y = float(yy) - 2.0 / 3.0 if "-" in yy else float(yy) + 2.0 / 3.0 + else: + y = float(y) + else: + y = float(y) + if "." in z: + zz, dz = z.split(".") + if re.fullmatch(r"333+", dz): + z = float(zz) - 1.0 / 3.0 if "-" in zz else float(zz) + 1.0 / 3.0 + elif re.fullmatch(r"66+(6|7)?", dz): + z = float(zz) - 2.0 / 3.0 if "-" in zz else float(zz) + 2.0 / 3.0 + else: + z = float(z) + else: + z = float(z) + logger.debug(f"xyz = {x:7.3f} {y:7.3f} {z:7.3f}") if self.periodicity == 3: if not have_fractionals: diff --git a/molsystem/openbabel.py b/molsystem/openbabel.py index ff22abf..850bebf 100644 --- a/molsystem/openbabel.py +++ b/molsystem/openbabel.py @@ -77,6 +77,7 @@ def from_OBMol(self, ob_mol, properties="all"): Xs = [] Ys = [] Zs = [] + qs = [] for ob_atom in ob.OBMolAtomIter(ob_mol): atno = ob_atom.GetAtomicNum() atnos.append(atno) @@ -84,6 +85,7 @@ def from_OBMol(self, ob_mol, properties="all"): Ys.append(ob_atom.y()) Zs.append(ob_atom.z()) logger.debug(f"atom {atno} {ob_atom.x()} {ob_atom.z()} {ob_atom.z()}") + qs.append(ob_atom.GetFormalCharge()) Is = [] Js = [] @@ -105,7 +107,12 @@ def from_OBMol(self, ob_mol, properties="all"): self.charge = ob_mol.GetTotalCharge() self.spin_multiplicity = ob_mol.GetTotalSpinMultiplicity() - ids = self.atoms.append(x=Xs, y=Ys, z=Zs, atno=atnos) + if any([i != 0.0 for i in qs]): + if "formal_charge" not in self.atoms: + self.atoms.add_attribute("formal_charge", coltype="int", default=0) + ids = self.atoms.append(x=Xs, y=Ys, z=Zs, atno=atnos, formal_charge=qs) + else: + ids = self.atoms.append(x=Xs, y=Ys, z=Zs, atno=atnos) i = [ids[x - 1] for x in Is] j = [ids[x - 1] for x in Js] self.bonds.append(i=i, j=j, bondorder=BondOrders) diff --git a/tests/test_cif.py b/tests/test_cif.py index 10a0f94..28d9463 100644 --- a/tests/test_cif.py +++ b/tests/test_cif.py @@ -313,8 +313,8 @@ def test_to_cif_text(vanadium): """Write a manually created system to cif""" correct = """\ # Generated by MolSSI SEAMM -data_V -space_group_name_H-M_full 'P 1' +data_SEAMM:default/BCCVanadium +_space_group_name_H-M_full 'P 1' _cell_length_a 3.03 _cell_length_b 3.03 _cell_length_c 3.03 @@ -419,7 +419,7 @@ def test_benzene_to_cif(benzene): ) correct = """\ # Generated by MolSSI SEAMM -data_CH +data_SEAMM:default/default _space_group_name_H-M_alt 'P b c a' _symmetry_space_group_name_Hall '-P 2ac 2ab' _space_group_IT_number 61 From fea3f3203c12fa88e5e4aedfbcc62548af210931 Mon Sep 17 00:00:00 2001 From: Paul Saxe Date: Wed, 13 Mar 2024 14:54:18 -0400 Subject: [PATCH 2/4] Merging in orphaned changes. --- HISTORY.rst | 4 + molsystem/symmetry.py | 89 + tests/data/spacegroup_names.json | 3355 +++++++++++++++--------------- tests/test_cif.py | 2 +- 4 files changed, 1755 insertions(+), 1695 deletions(-) diff --git a/HISTORY.rst b/HISTORY.rst index 7f41652..860a2aa 100644 --- a/HISTORY.rst +++ b/HISTORY.rst @@ -1,6 +1,10 @@ ======= History ======= +2023.12.5 -- Bugfixes for symmetry + * Fixed issue #72, where symmetry was not correctly handled for trigonal and + hexagonal cells where atoms had coordinates of 1/3 or 2/3. + 2023.11.19 -- Bugfixes in symmetry and CIF files * Reading CIF files could fail if the symmetry operators were given * The symmetry handling did not recognize hexagonal spacegroups without :H. Changed diff --git a/molsystem/symmetry.py b/molsystem/symmetry.py index fda1b68..6ef5074 100644 --- a/molsystem/symmetry.py +++ b/molsystem/symmetry.py @@ -348,6 +348,95 @@ def spacegroup_numbers_to_hall(self): @property def spacegroup_names_to_hall(self): + """Dictionary of Hall number for spacegroup names.""" + if _Symmetry.spgname_to_hall is None: + system_name = { + "international_full": "name_H-M_full", + "international": "name_H-M_alt", + "international_short": "name_H-M_short", + "hall_symbol": "name_Hall", + } + # Initialize the symmetry data + _Symmetry.spgname_to_hall = {} + _Symmetry.hall_to_spgname = {} + _Symmetry.hall_to_hall_symbol = {} + _Symmetry.hall_to_IT_number = {} + if _Symmetry.spgname_to_system is None: + _Symmetry.spgname_to_system = {} + for hall in range(1, 530): + data = spglib.get_spacegroup_type(hall) + # pws pprint.pprint(data) + choice = data["choice"] + _Symmetry.hall_to_hall_symbol[hall] = data["hall_symbol"] + _Symmetry.hall_to_IT_number[hall] = data["number"] + + # Handle Hall to spacegroup using the full H-M name + key = "international_full" + name = data[key] + + # Default setting if there are multiple, leave unadorned + if choice in ("2", "b", "b1", "H"): + if ( + hall in _Symmetry.hall_to_spgname + and name != _Symmetry.hall_to_spgname[hall] + ): + raise RuntimeError( + f"{hall=} {key} --> {name} exists: " + f"{_Symmetry.hall_to_spgname[hall]}" + ) + else: + _Symmetry.hall_to_spgname[hall] = name + else: + # Add other settings to the spacegroup name + if choice != "": + name += f" :{choice}" + if hall not in _Symmetry.hall_to_spgname: + # pws if choice != "": + # pws print(f"{hall} = {name} QQQQQQQQQQQQQQQQQQQQQQ") + _Symmetry.hall_to_spgname[hall] = name + + # Now handle all the rest + for key in ( + "international_full", + "international", + "international_short", + "hall_symbol", + ): + name = data[key] + + # SPGLib encodes the international name: 'C 2/c = B 2/n 1 1', + if key == "international": + name = name.split("=")[0].strip() + + # Default setting if there are multiple, leave unadorned + if choice in ("2", "b", "b1", "H"): + _Symmetry.spgname_to_hall[name] = hall + _Symmetry.spgname_to_system[name] = system_name[key] + for txt in ("_", " "): + tmp = name.replace(txt, "") + _Symmetry.spgname_to_hall[tmp] = hall + _Symmetry.spgname_to_system[tmp] = system_name[key] + if tmp[-2:] == ":H": + tmp = tmp[:-2].strip() + _Symmetry.spgname_to_hall[tmp] = hall + _Symmetry.spgname_to_system[tmp] = system_name[key] + + if key in ("international", "international_short") and choice != "": + name += f" :{choice}" + + _Symmetry.spgname_to_hall[name] = hall + _Symmetry.spgname_to_system[name] = system_name[key] + for txt in ("_", " "): + tmp = name.replace(txt, "") + _Symmetry.spgname_to_hall[tmp] = hall + _Symmetry.spgname_to_system[tmp] = system_name[key] + if tmp[-2:] == ":H": + tmp = tmp[:-2].strip() + _Symmetry.spgname_to_hall[tmp] = hall + _Symmetry.spgname_to_system[tmp] = system_name[key] + return _Symmetry.spgname_to_hall + + def old_spacegroup_names_to_hall(self): """Dictionary of Hall number for spacegroup names.""" if _Symmetry.spgname_to_hall is None: system_name = { diff --git a/tests/data/spacegroup_names.json b/tests/data/spacegroup_names.json index 36314f4..e2e8ee3 100644 --- a/tests/data/spacegroup_names.json +++ b/tests/data/spacegroup_names.json @@ -5,890 +5,816 @@ "P-1": 2, "-P 1": 2, "-P1": 2, - "P 1 2 1 :b": 3, - "P121:b": 3, - "P 2 = P 1 2 1 :b": 3, - "P2=P121:b": 3, - "P2 :b": 3, + "P 1 2 1": 3, + "P121": 3, + "P 2": 4, + "P2": 4, + "P 2 :b": 3, "P2:b": 3, - "P 2y :b": 3, - "P2y:b": 3, - "P 1 1 2 :c": 4, - "P112:c": 4, - "P 2 = P 1 1 2 :c": 4, - "P2=P112:c": 4, - "P2 :c": 4, - "P2:c": 4, + "P2 :b": 3, + "P 2y": 3, + "P2y": 3, + "P 1 1 2": 4, + "P112": 4, "P 2 :c": 4, - "P 2 1 1 :a": 5, - "P211:a": 5, - "P 2 = P 2 1 1 :a": 5, - "P2=P211:a": 5, - "P2 :a": 5, + "P2:c": 4, + "P2 :c": 4, + "P 2 1 1": 5, + "P211": 5, + "P 2 :a": 5, "P2:a": 5, - "P 2x :a": 5, - "P2x:a": 5, - "P 1 2_1 1 :b": 6, - "P 1 21 1 :b": 6, - "P12_11:b": 6, - "P 2_1 = P 1 2_1 1 :b": 6, - "P 21 = P 1 21 1 :b": 6, - "P2_1=P12_11:b": 6, + "P2 :a": 5, + "P 2x": 5, + "P2x": 5, + "P 1 2_1 1": 6, + "P 1 21 1": 6, + "P12_11": 6, + "P 2_1": 6, + "P 21": 6, + "P2_1": 6, + "P 2_1 :b": 6, + "P 21 :b": 6, + "P2_1:b": 6, + "P21": 6, "P2_1 :b": 6, "P21 :b": 6, - "P2_1:b": 6, - "P 2yb :b": 6, - "P2yb:b": 6, - "P 1 1 2_1 :c": 7, - "P 1 1 21 :c": 7, - "P112_1:c": 7, - "P 2_1 = P 1 1 2_1 :c": 7, - "P 21 = P 1 1 21 :c": 7, - "P2_1=P112_1:c": 7, + "P 2yb": 6, + "P2yb": 6, + "P 1 1 2_1": 7, + "P 1 1 21": 7, + "P112_1": 7, + "P 2_1 :c": 7, + "P 21 :c": 7, + "P2_1:c": 7, "P2_1 :c": 7, "P21 :c": 7, - "P2_1:c": 7, - "P 2c :c": 7, - "P2c:c": 7, - "P 2_1 1 1 :a": 8, - "P 21 1 1 :a": 8, - "P2_111:a": 8, - "P 2_1 = P 2_1 1 1 :a": 8, - "P 21 = P 21 1 1 :a": 8, - "P2_1=P2_111:a": 8, + "P 2c": 7, + "P2c": 7, + "P 2_1 1 1": 8, + "P 21 1 1": 8, + "P2_111": 8, + "P 2_1 :a": 8, + "P 21 :a": 8, + "P2_1:a": 8, "P2_1 :a": 8, "P21 :a": 8, - "P2_1:a": 8, - "P 2xa :a": 8, - "P2xa:a": 8, - "C 1 2 1 :b1": 9, - "C121:b1": 9, - "C 2 = C 1 2 1 :b1": 9, - "C2=C121:b1": 9, - "C2 :b1": 9, + "P 2xa": 8, + "P2xa": 8, + "C 1 2 1": 9, + "C121": 9, + "C 2": 9, + "C2": 9, + "C 2 :b1": 9, "C2:b1": 9, - "C 2y :b1": 9, - "C2y:b1": 9, - "A 1 2 1 :b2": 10, - "A121:b2": 10, - "C 2 = A 1 2 1 :b2": 10, - "C2=A121:b2": 10, - "C2 :b2": 10, + "C2 :b1": 9, + "C 2y": 9, + "C2y": 9, + "A 1 2 1": 10, + "A121": 10, + "C 2 :b2": 10, "C2:b2": 10, - "A 2y :b2": 10, - "A2y:b2": 10, - "I 1 2 1 :b3": 11, - "I121:b3": 11, - "C 2 = I 1 2 1 :b3": 11, - "C2=I121:b3": 11, - "C2 :b3": 11, + "C2 :b2": 10, + "A 2y": 10, + "A2y": 10, + "I 1 2 1": 11, + "I121": 11, + "C 2 :b3": 11, "C2:b3": 11, - "I 2y :b3": 11, - "I2y:b3": 11, - "A 1 1 2 :c1": 12, - "A112:c1": 12, - "C 2 = A 1 1 2 :c1": 12, - "C2=A112:c1": 12, - "C2 :c1": 12, + "C2 :b3": 11, + "I 2y": 11, + "I2y": 11, + "A 1 1 2": 12, + "A112": 12, + "C 2 :c1": 12, "C2:c1": 12, - "A 2 :c1": 12, - "A2:c1": 12, - "B 1 1 2 :c2": 13, - "B112:c2": 13, - "C 2 = B 1 1 2 = B 2 :c2": 13, - "C2=B112=B2:c2": 13, - "C2 :c2": 13, + "C2 :c1": 12, + "A 2": 12, + "A2": 12, + "B 1 1 2": 13, + "B112": 13, + "C 2 :c2": 13, "C2:c2": 13, - "B 2 :c2": 13, - "B2:c2": 13, - "I 1 1 2 :c3": 14, - "I112:c3": 14, - "C 2 = I 1 1 2 :c3": 14, - "C2=I112:c3": 14, - "C2 :c3": 14, + "C2 :c2": 13, + "B 2": 13, + "B2": 13, + "I 1 1 2": 14, + "I112": 14, + "C 2 :c3": 14, "C2:c3": 14, - "I 2 :c3": 14, - "I2:c3": 14, - "B 2 1 1 :a1": 15, - "B211:a1": 15, - "C 2 = B 2 1 1 :a1": 15, - "C2=B211:a1": 15, - "C2 :a1": 15, + "C2 :c3": 14, + "I 2": 14, + "I2": 14, + "B 2 1 1": 15, + "B211": 15, + "C 2 :a1": 15, "C2:a1": 15, - "B 2x :a1": 15, - "B2x:a1": 15, - "C 2 1 1 :a2": 16, - "C211:a2": 16, - "C 2 = C 2 1 1 :a2": 16, - "C2=C211:a2": 16, - "C2 :a2": 16, + "C2 :a1": 15, + "B 2x": 15, + "B2x": 15, + "C 2 1 1": 16, + "C211": 16, + "C 2 :a2": 16, "C2:a2": 16, - "C 2x :a2": 16, - "C2x:a2": 16, - "I 2 1 1 :a3": 17, - "I211:a3": 17, - "C 2 = I 2 1 1 :a3": 17, - "C2=I211:a3": 17, - "C2 :a3": 17, + "C2 :a2": 16, + "C 2x": 16, + "C2x": 16, + "I 2 1 1": 17, + "I211": 17, + "C 2 :a3": 17, "C2:a3": 17, - "I 2x :a3": 17, - "I2x:a3": 17, - "P 1 m 1 :b": 18, - "P1m1:b": 18, - "P m = P 1 m 1 :b": 18, - "Pm=P1m1:b": 18, - "Pm :b": 18, + "C2 :a3": 17, + "I 2x": 17, + "I2x": 17, + "P 1 m 1": 18, + "P1m1": 18, + "P m": 18, + "Pm": 18, + "P m :b": 18, "Pm:b": 18, - "P -2y :b": 18, - "P-2y:b": 18, - "P 1 1 m :c": 19, - "P11m:c": 19, - "P m = P 1 1 m :c": 19, - "Pm=P11m:c": 19, - "Pm :c": 19, + "Pm :b": 18, + "P -2y": 18, + "P-2y": 18, + "P 1 1 m": 19, + "P11m": 19, + "P m :c": 19, "Pm:c": 19, - "P -2 :c": 19, - "P-2:c": 19, - "P m 1 1 :a": 20, - "Pm11:a": 20, - "P m = P m 1 1 :a": 20, - "Pm=Pm11:a": 20, - "Pm :a": 20, + "Pm :c": 19, + "P -2": 19, + "P-2": 19, + "P m 1 1": 20, + "Pm11": 20, + "P m :a": 20, "Pm:a": 20, - "P -2x :a": 20, - "P-2x:a": 20, - "P 1 c 1 :b1": 21, - "P1c1:b1": 21, - "P c = P 1 c 1 :b1": 21, - "Pc=P1c1:b1": 21, - "Pc :b1": 21, + "Pm :a": 20, + "P -2x": 20, + "P-2x": 20, + "P 1 c 1": 21, + "P1c1": 21, + "P c": 21, + "Pc": 21, + "P c :b1": 21, "Pc:b1": 21, - "P -2yc :b1": 21, - "P-2yc:b1": 21, - "P 1 n 1 :b2": 22, - "P1n1:b2": 22, - "P c = P 1 n 1 :b2": 22, - "Pc=P1n1:b2": 22, - "Pc :b2": 22, + "Pc :b1": 21, + "P -2yc": 21, + "P-2yc": 21, + "P 1 n 1": 22, + "P1n1": 22, + "P c :b2": 22, "Pc:b2": 22, - "P -2yac :b2": 22, - "P-2yac:b2": 22, - "P 1 a 1 :b3": 23, - "P1a1:b3": 23, - "P c = P 1 a 1 :b3": 23, - "Pc=P1a1:b3": 23, - "Pc :b3": 23, + "Pc :b2": 22, + "P -2yac": 22, + "P-2yac": 22, + "P 1 a 1": 23, + "P1a1": 23, + "P c :b3": 23, "Pc:b3": 23, - "P -2ya :b3": 23, - "P-2ya:b3": 23, - "P 1 1 a :c1": 24, - "P11a:c1": 24, - "P c = P 1 1 a :c1": 24, - "Pc=P11a:c1": 24, - "Pc :c1": 24, + "Pc :b3": 23, + "P -2ya": 23, + "P-2ya": 23, + "P 1 1 a": 24, + "P11a": 24, + "P c :c1": 24, "Pc:c1": 24, - "P -2a :c1": 24, - "P-2a:c1": 24, - "P 1 1 n :c2": 25, - "P11n:c2": 25, - "P c = P 1 1 n :c2": 25, - "Pc=P11n:c2": 25, - "Pc :c2": 25, + "Pc :c1": 24, + "P -2a": 24, + "P-2a": 24, + "P 1 1 n": 25, + "P11n": 25, + "P c :c2": 25, "Pc:c2": 25, - "P -2ab :c2": 25, - "P-2ab:c2": 25, - "P 1 1 b :c3": 26, - "P11b:c3": 26, - "P c = P 1 1 b = P b :c3": 26, - "Pc=P11b=Pb:c3": 26, - "Pc :c3": 26, + "Pc :c2": 25, + "P -2ab": 25, + "P-2ab": 25, + "P 1 1 b": 26, + "P11b": 26, + "P c :c3": 26, "Pc:c3": 26, - "P -2b :c3": 26, - "P-2b:c3": 26, - "P b 1 1 :a1": 27, - "Pb11:a1": 27, - "P c = P b 1 1 :a1": 27, - "Pc=Pb11:a1": 27, - "Pc :a1": 27, + "Pc :c3": 26, + "P -2b": 26, + "P-2b": 26, + "P b 1 1": 27, + "Pb11": 27, + "P c :a1": 27, "Pc:a1": 27, - "P -2xb :a1": 27, - "P-2xb:a1": 27, - "P n 1 1 :a2": 28, - "Pn11:a2": 28, - "P c = P n 1 1 :a2": 28, - "Pc=Pn11:a2": 28, - "Pc :a2": 28, + "Pc :a1": 27, + "P -2xb": 27, + "P-2xb": 27, + "P n 1 1": 28, + "Pn11": 28, + "P c :a2": 28, "Pc:a2": 28, - "P -2xbc :a2": 28, - "P-2xbc:a2": 28, - "P c 1 1 :a3": 29, - "Pc11:a3": 29, - "P c = P c 1 1 :a3": 29, - "Pc=Pc11:a3": 29, - "Pc :a3": 29, + "Pc :a2": 28, + "P -2xbc": 28, + "P-2xbc": 28, + "P c 1 1": 29, + "Pc11": 29, + "P c :a3": 29, "Pc:a3": 29, - "P -2xc :a3": 29, - "P-2xc:a3": 29, - "C 1 m 1 :b1": 30, - "C1m1:b1": 30, - "C m = C 1 m 1 :b1": 30, - "Cm=C1m1:b1": 30, - "Cm :b1": 30, + "Pc :a3": 29, + "P -2xc": 29, + "P-2xc": 29, + "C 1 m 1": 30, + "C1m1": 30, + "C m": 30, + "Cm": 30, + "C m :b1": 30, "Cm:b1": 30, - "C -2y :b1": 30, - "C-2y:b1": 30, - "A 1 m 1 :b2": 31, - "A1m1:b2": 31, - "C m = A 1 m 1 :b2": 31, - "Cm=A1m1:b2": 31, - "Cm :b2": 31, + "Cm :b1": 30, + "C -2y": 30, + "C-2y": 30, + "A 1 m 1": 31, + "A1m1": 31, + "C m :b2": 31, "Cm:b2": 31, - 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"B m 1 1 :a1": 36, - "Bm11:a1": 36, - "C m = B m 1 1 :a1": 36, - "Cm=Bm11:a1": 36, - "Cm :a1": 36, + "Cm :c3": 35, + "I -2": 35, + "I-2": 35, + "B m 1 1": 36, + "Bm11": 36, + "C m :a1": 36, "Cm:a1": 36, - "B -2x :a1": 36, - "B-2x:a1": 36, - "C m 1 1 :a2": 37, - "Cm11:a2": 37, - "C m = C m 1 1 :a2": 37, - "Cm=Cm11:a2": 37, - "Cm :a2": 37, + "Cm :a1": 36, + "B -2x": 36, + "B-2x": 36, + "C m 1 1": 37, + "Cm11": 37, + "C m :a2": 37, "Cm:a2": 37, - "C -2x :a2": 37, - "C-2x:a2": 37, - "I m 1 1 :a3": 38, - "Im11:a3": 38, - "C m = I m 1 1 :a3": 38, - "Cm=Im11:a3": 38, - "Cm :a3": 38, + "Cm :a2": 37, + "C -2x": 37, + "C-2x": 37, + "I m 1 1": 38, + "Im11": 38, + "C m :a3": 38, "Cm:a3": 38, - "I -2x :a3": 38, - "I-2x:a3": 38, - "C 1 c 1 :b1": 39, - "C1c1:b1": 39, - "C c = C 1 c 1 :b1": 39, - "Cc=C1c1:b1": 39, - "Cc :b1": 39, + "Cm :a3": 38, + "I -2x": 38, + "I-2x": 38, + "C 1 c 1": 39, + "C1c1": 39, + "C c": 39, + "Cc": 39, + "C c :b1": 39, "Cc:b1": 39, - "C -2yc :b1": 39, - "C-2yc:b1": 39, - "A 1 n 1 :b2": 40, - "A1n1:b2": 40, - "C c = A 1 n 1 :b2": 40, - "Cc=A1n1:b2": 40, - "Cc :b2": 40, + "Cc :b1": 39, + "C -2yc": 39, + "C-2yc": 39, + "A 1 n 1": 40, + "A1n1": 40, + "C c :b2": 40, "Cc:b2": 40, - "A -2yac :b2": 40, - "A-2yac:b2": 40, - "I 1 a 1 :b3": 41, - "I1a1:b3": 41, - "C c = I 1 a 1 :b3": 41, - "Cc=I1a1:b3": 41, - "Cc :b3": 41, + "Cc :b2": 40, + "A -2yab": 40, + "A-2yab": 40, + "I 1 a 1": 41, + "I1a1": 41, + "C c :b3": 41, "Cc:b3": 41, - "I -2ya :b3": 41, - "I-2ya:b3": 41, - "A 1 a 1 :-b1": 42, - "A1a1:-b1": 42, - "C c = A 1 a 1 :-b1": 42, - "Cc=A1a1:-b1": 42, - "Cc :-b1": 42, + "Cc :b3": 41, + "I -2ya": 41, + "I-2ya": 41, + "A 1 a 1": 42, + "A1a1": 42, + "C c :-b1": 42, "Cc:-b1": 42, - "A -2ya :-b1": 42, - "A-2ya:-b1": 42, - "C 1 n 1 :-b2": 43, - "C1n1:-b2": 43, - "C c = C 1 n 1 :-b2": 43, - "Cc=C1n1:-b2": 43, - "Cc :-b2": 43, + "Cc :-b1": 42, + "A -2ya": 42, + "A-2ya": 42, + "C 1 n 1": 43, + "C1n1": 43, + "C c :-b2": 43, "Cc:-b2": 43, - "C -2ybc :-b2": 43, - "C-2ybc:-b2": 43, - "I 1 c 1 :-b3": 44, - "I1c1:-b3": 44, - "C c = I 1 c 1 :-b3": 44, - "Cc=I1c1:-b3": 44, - "Cc :-b3": 44, + "Cc :-b2": 43, + "C -2yac": 43, + "C-2yac": 43, + "I 1 c 1": 44, + "I1c1": 44, + "C c :-b3": 44, "Cc:-b3": 44, - "I -2yc :-b3": 44, - "I-2yc:-b3": 44, - "A 1 1 a :c1": 45, - "A11a:c1": 45, - "C c = A 1 1 a :c1": 45, - "Cc=A11a:c1": 45, - "Cc :c1": 45, + "Cc :-b3": 44, + "I -2yc": 44, + "I-2yc": 44, + "A 1 1 a": 45, + "A11a": 45, + "C c :c1": 45, "Cc:c1": 45, - "A -2a :c1": 45, - "A-2a:c1": 45, - "B 1 1 n :c2": 46, - "B11n:c2": 46, - "C c = B 1 1 n :c2": 46, - "Cc=B11n:c2": 46, - "Cc :c2": 46, + "Cc :c1": 45, + "A -2a": 45, + "A-2a": 45, + "B 1 1 n": 46, + "B11n": 46, + "C c :c2": 46, "Cc:c2": 46, - "B -2bc :c2": 46, - "B-2bc:c2": 46, - "I 1 1 b :c3": 47, - "I11b:c3": 47, - "C c = I 1 1 b :c3": 47, - "Cc=I11b:c3": 47, - "Cc :c3": 47, + "Cc :c2": 46, + "B -2ab": 46, + "B-2ab": 46, + "I 1 1 b": 47, + "I11b": 47, + "C c :c3": 47, "Cc:c3": 47, - "I -2b :c3": 47, - "I-2b:c3": 47, - "B 1 1 b :-c1": 48, - "B11b:-c1": 48, - "C c = B 1 1 b = B b :-c1": 48, - "Cc=B11b=Bb:-c1": 48, - "Cc :-c1": 48, + "Cc :c3": 47, + "I -2b": 47, + "I-2b": 47, + "B 1 1 b": 48, + "B11b": 48, + "C c :-c1": 48, "Cc:-c1": 48, - "B -2b :-c1": 48, - "B-2b:-c1": 48, - "A 1 1 n :-c2": 49, - "A11n:-c2": 49, - "C c = A 1 1 n :-c2": 49, - "Cc=A11n:-c2": 49, - "Cc :-c2": 49, + "Cc :-c1": 48, + "B -2b": 48, + "B-2b": 48, + "A 1 1 n": 49, + "A11n": 49, + "C c :-c2": 49, "Cc:-c2": 49, - "A -2ac :-c2": 49, - "A-2ac:-c2": 49, - "I 1 1 a :-c3": 50, - "I11a:-c3": 50, - "C c = I 1 1 a :-c3": 50, - "Cc=I11a:-c3": 50, - "Cc :-c3": 50, + "Cc :-c2": 49, + "A -2ab": 49, + "A-2ab": 49, + "I 1 1 a": 50, + "I11a": 50, + "C c :-c3": 50, "Cc:-c3": 50, - "I -2a :-c3": 50, - "I-2a:-c3": 50, - "B b 1 1 :a1": 51, - "Bb11:a1": 51, - "C c = B b 1 1 :a1": 51, - "Cc=Bb11:a1": 51, - "Cc :a1": 51, + "Cc :-c3": 50, + "I -2a": 50, + "I-2a": 50, + "B b 1 1": 51, + "Bb11": 51, + "C c :a1": 51, "Cc:a1": 51, - "B -2xb :a1": 51, - "B-2xb:a1": 51, - "C n 1 1 :a2": 52, - "Cn11:a2": 52, - "C c = C n 1 1 :a2": 52, - "Cc=Cn11:a2": 52, - "Cc :a2": 52, + "Cc :a1": 51, + "B -2xb": 51, + "B-2xb": 51, + "C n 1 1": 52, + "Cn11": 52, + "C c :a2": 52, "Cc:a2": 52, - "C -2xbc :a2": 52, - "C-2xbc:a2": 52, - "I c 1 1 :a3": 53, - "Ic11:a3": 53, - "C c = I c 1 1 :a3": 53, - "Cc=Ic11:a3": 53, - "Cc :a3": 53, + "Cc :a2": 52, + "C -2xac": 52, + "C-2xac": 52, + "I c 1 1": 53, + "Ic11": 53, + "C c :a3": 53, "Cc:a3": 53, - "I -2xc :a3": 53, - "I-2xc:a3": 53, - "C c 1 1 :-a1": 54, - "Cc11:-a1": 54, - "C c = C c 1 1 :-a1": 54, - "Cc=Cc11:-a1": 54, - "Cc :-a1": 54, + "Cc :a3": 53, + "I -2xc": 53, + "I-2xc": 53, + "C c 1 1": 54, + "Cc11": 54, + "C c :-a1": 54, "Cc:-a1": 54, - "C -2xc :-a1": 54, - "C-2xc:-a1": 54, - "B n 1 1 :-a2": 55, - "Bn11:-a2": 55, - "C c = B n 1 1 :-a2": 55, - "Cc=Bn11:-a2": 55, - "Cc :-a2": 55, + "Cc :-a1": 54, + "C -2xc": 54, + "C-2xc": 54, + "B n 1 1": 55, + "Bn11": 55, + "C c :-a2": 55, "Cc:-a2": 55, - "B -2xbc :-a2": 55, - "B-2xbc:-a2": 55, - "I b 1 1 :-a3": 56, - "Ib11:-a3": 56, - 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"-P2x:a": 59, - "P 1 2_1/m 1 :b": 60, - "P 1 21/m 1 :b": 60, - "P12_1/m1:b": 60, - "P 2_1/m = P 1 2_1/m 1 :b": 60, - "P 21/m = P 1 21/m 1 :b": 60, - "P2_1/m=P12_1/m1:b": 60, + "P2/m :a": 59, + "-P 2x": 59, + "-P2x": 59, + "P 1 2_1/m 1": 60, + "P 1 21/m 1": 60, + "P12_1/m1": 60, + "P 2_1/m": 60, + "P 21/m": 60, + "P2_1/m": 60, + "P 2_1/m :b": 60, + "P 21/m :b": 60, + "P2_1/m:b": 60, + "P21/m": 60, "P2_1/m :b": 60, "P21/m :b": 60, - "P2_1/m:b": 60, - "-P 2yb :b": 60, - "-P2yb:b": 60, - "P 1 1 2_1/m :c": 61, - "P 1 1 21/m :c": 61, - "P112_1/m:c": 61, - "P 2_1/m = P 1 1 2_1/m :c": 61, - "P 21/m = P 1 1 21/m :c": 61, - "P2_1/m=P112_1/m:c": 61, + "-P 2yb": 60, + "-P2yb": 60, + "P 1 1 2_1/m": 61, + "P 1 1 21/m": 61, + "P112_1/m": 61, + "P 2_1/m :c": 61, + "P 21/m :c": 61, + "P2_1/m:c": 61, "P2_1/m :c": 61, "P21/m :c": 61, - "P2_1/m:c": 61, - "-P 2c :c": 61, - "-P2c:c": 61, - "P 2_1/m 1 1 :a": 62, - "P 21/m 1 1 :a": 62, - "P2_1/m11:a": 62, - "P 2_1/m = P 2_1/m 1 1 :a": 62, - "P 21/m = P 21/m 1 1 :a": 62, - 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"-I 2y :b3": 65, - "-I2y:b3": 65, - "A 1 1 2/m :c1": 66, - "A112/m:c1": 66, - "C 2/m = A 1 1 2/m :c1": 66, - "C2/m=A112/m:c1": 66, - "C2/m :c1": 66, + "C2/m :b3": 65, + "-I 2y": 65, + "-I2y": 65, + "A 1 1 2/m": 66, + "A112/m": 66, + "C 2/m :c1": 66, "C2/m:c1": 66, - "-A 2 :c1": 66, - "-A2:c1": 66, - "B 1 1 2/m :c2": 67, - "B112/m:c2": 67, - "C 2/m = B 1 1 2/m = B 2/m :c2": 67, - "C2/m=B112/m=B2/m:c2": 67, - "C2/m :c2": 67, + "C2/m :c1": 66, + "-A 2": 66, + "-A2": 66, + "B 1 1 2/m": 67, + "B112/m": 67, + "C 2/m :c2": 67, "C2/m:c2": 67, - "-B 2 :c2": 67, - "-B2:c2": 67, - "I 1 1 2/m :c3": 68, - "I112/m:c3": 68, - "C 2/m = I 1 1 2/m :c3": 68, - "C2/m=I112/m:c3": 68, - "C2/m :c3": 68, + "C2/m :c2": 67, + "-B 2": 67, + "-B2": 67, + "I 1 1 2/m": 68, + "I112/m": 68, + "C 2/m :c3": 68, "C2/m:c3": 68, - "-I 2 :c3": 68, - "-I2:c3": 68, - "B 2/m 1 1 :a1": 69, - "B2/m11:a1": 69, - "C 2/m = B 2/m 1 1 :a1": 69, - "C2/m=B2/m11:a1": 69, - "C2/m :a1": 69, + "C2/m :c3": 68, + "-I 2": 68, + "-I2": 68, + "B 2/m 1 1": 69, + "B2/m11": 69, + "C 2/m :a1": 69, "C2/m:a1": 69, - "-B 2x :a1": 69, - "-B2x:a1": 69, - "C 2/m 1 1 :a2": 70, - "C2/m11:a2": 70, - "C 2/m = C 2/m 1 1 :a2": 70, - "C2/m=C2/m11:a2": 70, - "C2/m :a2": 70, + "C2/m :a1": 69, + "-B 2x": 69, + "-B2x": 69, + "C 2/m 1 1": 70, + "C2/m11": 70, + "C 2/m :a2": 70, "C2/m:a2": 70, - "-C 2x :a2": 70, - "-C2x:a2": 70, - "I 2/m 1 1 :a3": 71, - "I2/m11:a3": 71, - "C 2/m = I 2/m 1 1 :a3": 71, - "C2/m=I2/m11:a3": 71, - "C2/m :a3": 71, + "C2/m :a2": 70, + "-C 2x": 70, + "-C2x": 70, + "I 2/m 1 1": 71, + "I2/m11": 71, + "C 2/m :a3": 71, "C2/m:a3": 71, - "-I 2x :a3": 71, - "-I2x:a3": 71, - "P 1 2/c 1 :b1": 72, - "P12/c1:b1": 72, - "P 2/c = P 1 2/c 1 :b1": 72, - "P2/c=P12/c1:b1": 72, - "P2/c :b1": 72, + "C2/m :a3": 71, + "-I 2x": 71, + "-I2x": 71, + "P 1 2/c 1": 72, + "P12/c1": 72, + "P 2/c": 72, + "P2/c": 72, + "P 2/c :b1": 72, "P2/c:b1": 72, - "-P 2yc :b1": 72, - "-P2yc:b1": 72, - "P 1 2/n 1 :b2": 73, - "P12/n1:b2": 73, - "P 2/c = P 1 2/n 1 :b2": 73, - "P2/c=P12/n1:b2": 73, - "P2/c :b2": 73, + "P2/c :b1": 72, + "-P 2yc": 72, + "-P2yc": 72, + "P 1 2/n 1": 73, + "P12/n1": 73, + "P 2/c :b2": 73, "P2/c:b2": 73, - "-P 2yac :b2": 73, - "-P2yac:b2": 73, - "P 1 2/a 1 :b3": 74, - "P12/a1:b3": 74, - "P 2/c = P 1 2/a 1 :b3": 74, - "P2/c=P12/a1:b3": 74, - "P2/c :b3": 74, + "P2/c :b2": 73, + "-P 2yac": 73, + "-P2yac": 73, + "P 1 2/a 1": 74, + "P12/a1": 74, + "P 2/c :b3": 74, "P2/c:b3": 74, - "-P 2ya :b3": 74, - "-P2ya:b3": 74, - "P 1 1 2/a :c1": 75, - "P112/a:c1": 75, - "P 2/c = P 1 1 2/a :c1": 75, - "P2/c=P112/a:c1": 75, - "P2/c :c1": 75, + "P2/c :b3": 74, + "-P 2ya": 74, + "-P2ya": 74, + "P 1 1 2/a": 75, + "P112/a": 75, + "P 2/c :c1": 75, "P2/c:c1": 75, - "-P 2a :c1": 75, - "-P2a:c1": 75, - "P 1 1 2/n :c2": 76, - "P112/n:c2": 76, - "P 2/c = P 1 1 2/n :c2": 76, - "P2/c=P112/n:c2": 76, - "P2/c :c2": 76, + "P2/c :c1": 75, + "-P 2a": 75, + "-P2a": 75, + "P 1 1 2/n": 76, + "P112/n": 76, + "P 2/c :c2": 76, "P2/c:c2": 76, - "-P 2ab :c2": 76, - "-P2ab:c2": 76, - "P 1 1 2/b :c3": 77, - "P112/b:c3": 77, - "P 2/c = P 1 1 2/b = P 2/b :c3": 77, - "P2/c=P112/b=P2/b:c3": 77, - "P2/c :c3": 77, + "P2/c :c2": 76, + "-P 2ab": 76, + "-P2ab": 76, + "P 1 1 2/b": 77, + "P112/b": 77, + "P 2/c :c3": 77, "P2/c:c3": 77, - "-P 2b :c3": 77, - "-P2b:c3": 77, - "P 2/b 1 1 :a1": 78, - "P2/b11:a1": 78, - "P 2/c = P 2/b 1 1 :a1": 78, - "P2/c=P2/b11:a1": 78, - "P2/c :a1": 78, + "P2/c :c3": 77, + "-P 2b": 77, + "-P2b": 77, + "P 2/b 1 1": 78, + "P2/b11": 78, + "P 2/c :a1": 78, "P2/c:a1": 78, - "-P 2xb :a1": 78, - "-P2xb:a1": 78, - "P 2/n 1 1 :a2": 79, - "P2/n11:a2": 79, - "P 2/c = P 2/n 1 1 :a2": 79, - "P2/c=P2/n11:a2": 79, - "P2/c :a2": 79, + "P2/c :a1": 78, + "-P 2xb": 78, + "-P2xb": 78, + "P 2/n 1 1": 79, + "P2/n11": 79, + "P 2/c :a2": 79, "P2/c:a2": 79, - "-P 2xbc :a2": 79, - "-P2xbc:a2": 79, - "P 2/c 1 1 :a3": 80, - "P2/c11:a3": 80, - "P 2/c = P 2/c 1 1 :a3": 80, - "P2/c=P2/c11:a3": 80, - "P2/c :a3": 80, + "P2/c :a2": 79, + "-P 2xbc": 79, + "-P2xbc": 79, + "P 2/c 1 1": 80, + "P2/c11": 80, + "P 2/c :a3": 80, "P2/c:a3": 80, - "-P 2xc :a3": 80, - "-P2xc:a3": 80, - "P 1 2_1/c 1 :b1": 81, - "P 1 21/c 1 :b1": 81, - "P12_1/c1:b1": 81, - "P 2_1/c = P 1 2_1/c 1 :b1": 81, - "P 21/c = P 1 21/c 1 :b1": 81, - "P2_1/c=P12_1/c1:b1": 81, + "P2/c :a3": 80, + "-P 2xc": 80, + "-P2xc": 80, + "P 1 2_1/c 1": 81, + "P 1 21/c 1": 81, + "P12_1/c1": 81, + "P 2_1/c": 81, + "P 21/c": 81, + "P2_1/c": 81, + "P 2_1/c :b1": 81, + "P 21/c :b1": 81, + "P2_1/c:b1": 81, + "P21/c": 81, "P2_1/c :b1": 81, "P21/c :b1": 81, - 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"P2_1/c=P2_1/c11:a3": 89, + "-P 2xn": 88, + "-P2xn": 88, + "P 2_1/c 1 1": 89, + "P 21/c 1 1": 89, + "P2_1/c11": 89, + "P 2_1/c :a3": 89, + "P 21/c :a3": 89, + "P2_1/c:a3": 89, "P2_1/c :a3": 89, "P21/c :a3": 89, - "P2_1/c:a3": 89, - "-P 2xac :a3": 89, - "-P2xac:a3": 89, - "C 1 2/c 1 :b1": 90, - "C12/c1:b1": 90, - "C 2/c = C 1 2/c 1 :b1": 90, - "C2/c=C12/c1:b1": 90, - "C2/c :b1": 90, + "-P 2xac": 89, + "-P2xac": 89, + "C 1 2/c 1": 90, + "C12/c1": 90, + "C 2/c": 90, + "C2/c": 90, + "C 2/c :b1": 90, "C2/c:b1": 90, - "-C 2yc :b1": 90, - "-C2yc:b1": 90, - "A 1 2/n 1 :b2": 91, - "A12/n1:b2": 91, - "C 2/c = A 1 2/n 1 :b2": 91, - "C2/c=A12/n1:b2": 91, - "C2/c :b2": 91, + "C2/c :b1": 90, + "-C 2yc": 90, + "-C2yc": 90, + "A 1 2/n 1": 91, + "A12/n1": 91, + "C 2/c :b2": 91, "C2/c:b2": 91, - "-A 2yac :b2": 91, - "-A2yac:b2": 91, - "I 1 2/a 1 :b3": 92, - "I12/a1:b3": 92, - "C 2/c = I 1 2/a 1 :b3": 92, - "C2/c=I12/a1:b3": 92, - "C2/c :b3": 92, + "C2/c :b2": 91, + "-A 2yab": 91, + "-A2yab": 91, + "I 1 2/a 1": 92, + "I12/a1": 92, + "C 2/c :b3": 92, "C2/c:b3": 92, - 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"-A 2a :c1": 96, - "-A2a:c1": 96, - "B 1 1 2/n :c2": 97, - "B112/n:c2": 97, - "C 2/c = B 1 1 2/n :c2": 97, - "C2/c=B112/n:c2": 97, - "C2/c :c2": 97, + "C2/c :c1": 96, + "-A 2a": 96, + "-A2a": 96, + "B 1 1 2/n": 97, + "B112/n": 97, + "C 2/c :c2": 97, "C2/c:c2": 97, - "-B 2bc :c2": 97, - "-B2bc:c2": 97, - "I 1 1 2/b :c3": 98, - "I112/b:c3": 98, - "C 2/c = I 1 1 2/b :c3": 98, - "C2/c=I112/b:c3": 98, - "C2/c :c3": 98, + "C2/c :c2": 97, + "-B 2ab": 97, + "-B2ab": 97, + "I 1 1 2/b": 98, + "I112/b": 98, + "C 2/c :c3": 98, "C2/c:c3": 98, - "-I 2b :c3": 98, - "-I2b:c3": 98, - "B 1 1 2/b :-c1": 99, - "B112/b:-c1": 99, - "C 2/c = B 1 1 2/b = B 2/b :-c1": 99, - "C2/c=B112/b=B2/b:-c1": 99, - "C2/c :-c1": 99, + "C2/c :c3": 98, + "-I 2b": 98, + "-I2b": 98, + "B 1 1 2/b": 99, + "B112/b": 99, + "C 2/c :-c1": 99, "C2/c:-c1": 99, - "-B 2b :-c1": 99, - "-B2b:-c1": 99, - "A 1 1 2/n :-c2": 100, - "A112/n:-c2": 100, - "C 2/c = A 1 1 2/n :-c2": 100, - "C2/c=A112/n:-c2": 100, - "C2/c :-c2": 100, + "C2/c :-c1": 99, + "-B 2b": 99, + "-B2b": 99, + "A 1 1 2/n": 100, + "A112/n": 100, + "C 2/c :-c2": 100, "C2/c:-c2": 100, - "-A 2ac :-c2": 100, - "-A2ac:-c2": 100, - "I 1 1 2/a :-c3": 101, - "I112/a:-c3": 101, - "C 2/c = I 1 1 2/a :-c3": 101, - "C2/c=I112/a:-c3": 101, - "C2/c :-c3": 101, + "C2/c :-c2": 100, + "-A 2ab": 100, + "-A2ab": 100, + "I 1 1 2/a": 101, + "I112/a": 101, + "C 2/c :-c3": 101, "C2/c:-c3": 101, - "-I 2a :-c3": 101, - "-I2a:-c3": 101, - "B 2/b 1 1 :a1": 102, - "B2/b11:a1": 102, - "C 2/c = B 2/b 1 1 :a1": 102, - "C2/c=B2/b11:a1": 102, - "C2/c :a1": 102, + "C2/c :-c3": 101, + "-I 2a": 101, + "-I2a": 101, + "B 2/b 1 1": 102, + "B2/b11": 102, + "C 2/c :a1": 102, "C2/c:a1": 102, - "-B 2xb :a1": 102, - "-B2xb:a1": 102, - "C 2/n 1 1 :a2": 103, - "C2/n11:a2": 103, - "C 2/c = C 2/n 1 1 :a2": 103, - "C2/c=C2/n11:a2": 103, - "C2/c :a2": 103, + "C2/c :a1": 102, + "-B 2xb": 102, + "-B2xb": 102, + "C 2/n 1 1": 103, + "C2/n11": 103, + "C 2/c :a2": 103, "C2/c:a2": 103, - "-C 2xbc :a2": 103, - "-C2xbc:a2": 103, - "I 2/c 1 1 :a3": 104, - "I2/c11:a3": 104, - "C 2/c = I 2/c 1 1 :a3": 104, - "C2/c=I2/c11:a3": 104, - "C2/c :a3": 104, + "C2/c :a2": 103, + "-C 2xac": 103, + "-C2xac": 103, + "I 2/c 1 1": 104, + "I2/c11": 104, + "C 2/c :a3": 104, "C2/c:a3": 104, - "-I 2xc :a3": 104, - "-I2xc:a3": 104, - "C 2/c 1 1 :-a1": 105, - "C2/c11:-a1": 105, - "C 2/c = C 2/c 1 1 :-a1": 105, - "C2/c=C2/c11:-a1": 105, - "C2/c :-a1": 105, + "C2/c :a3": 104, + "-I 2xc": 104, + "-I2xc": 104, + "C 2/c 1 1": 105, + "C2/c11": 105, + "C 2/c :-a1": 105, "C2/c:-a1": 105, - "-C 2xc :-a1": 105, - "-C2xc:-a1": 105, - "B 2/n 1 1 :-a2": 106, - "B2/n11:-a2": 106, - "C 2/c = B 2/n 1 1 :-a2": 106, - "C2/c=B2/n11:-a2": 106, - "C2/c :-a2": 106, + "C2/c :-a1": 105, + "-C 2xc": 105, + "-C2xc": 105, + "B 2/n 1 1": 106, + "B2/n11": 106, + "C 2/c :-a2": 106, "C2/c:-a2": 106, - "-B 2xbc :-a2": 106, - "-B2xbc:-a2": 106, - "I 2/b 1 1 :-a3": 107, - "I2/b11:-a3": 107, - "C 2/c = I 2/b 1 1 :-a3": 107, - "C2/c=I2/b11:-a3": 107, - "C2/c :-a3": 107, + "C2/c :-a2": 106, + "-B 2xab": 106, + "-B2xab": 106, + "I 2/b 1 1": 107, + "I2/b11": 107, + "C 2/c :-a3": 107, "C2/c:-a3": 107, - "-I 2xb :-a3": 107, - "-I2xb:-a3": 107, + "C2/c :-a3": 107, + "-I 2xb": 107, + "-I2xb": 107, "P 2 2 2": 108, "P222": 108, "P 2 2": 108, @@ -899,40 +825,52 @@ "P2221": 109, "P 2c 2": 109, "P2c2": 109, + "P 2_1 2 2": 110, + "P 21 2 2": 110, + "P2_122": 110, "P 2_1 2 2 :cab": 110, "P 21 2 2 :cab": 110, "P2_122:cab": 110, "P2_122 :cab": 110, "P2122 :cab": 110, - "P 2a 2a :cab": 110, - "P2a2a:cab": 110, + "P 2a 2a": 110, + "P2a2a": 110, + "P 2 2_1 2": 111, + "P 2 21 2": 111, + "P22_12": 111, "P 2 2_1 2 :bca": 111, "P 2 21 2 :bca": 111, "P22_12:bca": 111, "P22_12 :bca": 111, "P2212 :bca": 111, - "P 2 2b :bca": 111, - "P22b:bca": 111, + "P 2 2b": 111, + "P22b": 111, "P 2_1 2_1 2": 112, "P 21 21 2": 112, "P2_12_12": 112, "P21212": 112, "P 2 2ab": 112, "P22ab": 112, + "P 2 2_1 2_1": 113, + "P 2 21 21": 113, + "P22_12_1": 113, "P 2 2_1 2_1 :cab": 113, "P 2 21 21 :cab": 113, "P22_12_1:cab": 113, "P22_12_1 :cab": 113, "P22121 :cab": 113, - "P 2bc 2 :cab": 113, - "P2bc2:cab": 113, + "P 2bc 2": 113, + "P2bc2": 113, + "P 2_1 2 2_1": 114, + "P 21 2 21": 114, + "P2_122_1": 114, "P 2_1 2 2_1 :bca": 114, "P 21 2 21 :bca": 114, "P2_122_1:bca": 114, "P2_122_1 :bca": 114, "P21221 :bca": 114, - "P 2ac 2ac :bca": 114, - "P2ac2ac:bca": 114, + "P 2ac 2ac": 114, + "P2ac2ac": 114, "P 2_1 2_1 2_1": 115, "P 21 21 21": 115, "P2_12_12_1": 115, @@ -945,34 +883,44 @@ "C2221": 116, "C 2c 2": 116, "C2c2": 116, + "A 2_1 2 2": 117, + "A 21 2 2": 117, + "A2_122": 117, "A 2_1 2 2 :cab": 117, "A 21 2 2 :cab": 117, "A2_122:cab": 117, "A2_122 :cab": 117, "A2122 :cab": 117, - "A 2a 2a :cab": 117, - "A2a2a:cab": 117, + "A 2a 2a": 117, + "A2a2a": 117, + "B 2 2_1 2": 118, + "B 2 21 2": 118, + "B22_12": 118, "B 2 2_1 2 :bca": 118, "B 2 21 2 :bca": 118, "B22_12:bca": 118, "B22_12 :bca": 118, "B2212 :bca": 118, - "B 2 2b :bca": 118, - "B22b:bca": 118, + "B 2 2b": 118, + "B22b": 118, "C 2 2 2": 119, "C222": 119, "C 2 2": 119, "C22": 119, + "A 2 2 2": 120, + "A222": 120, "A 2 2 2 :cab": 120, "A222:cab": 120, "A222 :cab": 120, - "A 2 2 :cab": 120, - "A22:cab": 120, + "A 2 2": 120, + "A22": 120, + "B 2 2 2": 121, + "B222": 121, "B 2 2 2 :bca": 121, "B222:bca": 121, "B222 :bca": 121, - "B 2 2 :bca": 121, - "B22:bca": 121, + "B 2 2": 121, + "B22": 121, "F 2 2 2": 122, "F222": 122, "F 2 2": 122, @@ -991,640 +939,813 @@ "Pmm2": 125, "P 2 -2": 125, "P2-2": 125, + "P 2 m m": 126, + "P2mm": 126, "P 2 m m :cab": 126, "P2mm:cab": 126, "P2mm :cab": 126, - "P -2 2 :cab": 126, - "P-22:cab": 126, + "P -2 2": 126, + "P-22": 126, + "P m 2 m": 127, + "Pm2m": 127, "P m 2 m :bca": 127, "Pm2m:bca": 127, "Pm2m :bca": 127, - "P -2 -2 :bca": 127, - "P-2-2:bca": 127, + "P -2 -2": 127, + "P-2-2": 127, "P m c 2_1": 128, "P m c 21": 128, "Pmc2_1": 128, "Pmc21": 128, "P 2c -2": 128, "P2c-2": 128, + "P c m 2_1": 129, + "P c m 21": 129, + "Pcm2_1": 129, "P c m 2_1 :ba-c": 129, "P c m 21 :ba-c": 129, "Pcm2_1:ba-c": 129, "Pcm2_1 :ba-c": 129, "Pcm21 :ba-c": 129, - "P 2c -2c :ba-c": 129, - "P2c-2c:ba-c": 129, + "P 2c -2c": 129, + "P2c-2c": 129, + "P 2_1 m a": 130, + "P 21 m a": 130, + "P2_1ma": 130, "P 2_1 m a :cab": 130, "P 21 m a :cab": 130, "P2_1ma:cab": 130, "P2_1ma :cab": 130, "P21ma :cab": 130, - "P -2a 2a :cab": 130, - "P-2a2a:cab": 130, + "P -2a 2a": 130, + "P-2a2a": 130, + "P 2_1 a m": 131, + "P 21 a m": 131, + "P2_1am": 131, "P 2_1 a m :-cba": 131, "P 21 a m :-cba": 131, "P2_1am:-cba": 131, "P2_1am :-cba": 131, "P21am :-cba": 131, - "P -2 2a :-cba": 131, - "P-22a:-cba": 131, + "P -2 2a": 131, + "P-22a": 131, + "P b 2_1 m": 132, + "P b 21 m": 132, + "Pb2_1m": 132, "P b 2_1 m :bca": 132, "P b 21 m :bca": 132, "Pb2_1m:bca": 132, "Pb2_1m :bca": 132, "Pb21m :bca": 132, - "P -2 -2b :bca": 132, - "P-2-2b:bca": 132, + "P -2 -2b": 132, + "P-2-2b": 132, + "P m 2_1 b": 133, + "P m 21 b": 133, + "Pm2_1b": 133, "P m 2_1 b :a-cb": 133, "P m 21 b :a-cb": 133, "Pm2_1b:a-cb": 133, "Pm2_1b :a-cb": 133, "Pm21b :a-cb": 133, - "P -2b -2 :a-cb": 133, - "P-2b-2:a-cb": 133, + "P -2b -2": 133, + "P-2b-2": 133, "P c c 2": 134, "Pcc2": 134, "P 2 -2c": 134, "P2-2c": 134, + "P 2 a a": 135, + "P2aa": 135, "P 2 a a :cab": 135, "P2aa:cab": 135, "P2aa :cab": 135, - "P -2a 2 :cab": 135, - "P-2a2:cab": 135, + "P -2a 2": 135, + "P-2a2": 135, + "P b 2 b": 136, + "Pb2b": 136, "P b 2 b :bca": 136, "Pb2b:bca": 136, "Pb2b :bca": 136, - "P -2b -2b :bca": 136, - "P-2b-2b:bca": 136, + "P -2b -2b": 136, + "P-2b-2b": 136, "P m a 2": 137, "Pma2": 137, "P 2 -2a": 137, "P2-2a": 137, + "P b m 2": 138, + "Pbm2": 138, "P b m 2 :ba-c": 138, "Pbm2:ba-c": 138, "Pbm2 :ba-c": 138, - "P 2 -2b :ba-c": 138, - "P2-2b:ba-c": 138, + "P 2 -2b": 138, + "P2-2b": 138, + "P 2 m b": 139, + "P2mb": 139, "P 2 m b :cab": 139, "P2mb:cab": 139, "P2mb :cab": 139, - "P -2b 2 :cab": 139, - "P-2b2:cab": 139, + "P -2b 2": 139, + "P-2b2": 139, + "P 2 c m": 140, + "P2cm": 140, "P 2 c m :-cba": 140, "P2cm:-cba": 140, "P2cm :-cba": 140, - "P -2c 2 :-cba": 140, - "P-2c2:-cba": 140, + "P -2c 2": 140, + "P-2c2": 140, + "P c 2 m": 141, + "Pc2m": 141, "P c 2 m :bca": 141, "Pc2m:bca": 141, "Pc2m :bca": 141, - "P -2c -2c :bca": 141, - "P-2c-2c:bca": 141, + "P -2c -2c": 141, + "P-2c-2c": 141, + "P m 2 a": 142, + "Pm2a": 142, "P m 2 a :a-cb": 142, "Pm2a:a-cb": 142, "Pm2a :a-cb": 142, - "P -2a -2a :a-cb": 142, - "P-2a-2a:a-cb": 142, + "P -2a -2a": 142, + "P-2a-2a": 142, "P c a 2_1": 143, "P c a 21": 143, "Pca2_1": 143, "Pca21": 143, "P 2c -2ac": 143, "P2c-2ac": 143, + "P b c 2_1": 144, + "P b c 21": 144, + "Pbc2_1": 144, "P b c 2_1 :ba-c": 144, "P b c 21 :ba-c": 144, "Pbc2_1:ba-c": 144, "Pbc2_1 :ba-c": 144, "Pbc21 :ba-c": 144, - "P 2c -2b :ba-c": 144, - "P2c-2b:ba-c": 144, + "P 2c -2b": 144, + "P2c-2b": 144, + "P 2_1 a b": 145, + "P 21 a b": 145, + "P2_1ab": 145, "P 2_1 a b :cab": 145, "P 21 a b :cab": 145, "P2_1ab:cab": 145, "P2_1ab :cab": 145, "P21ab :cab": 145, - "P -2b 2a :cab": 145, - "P-2b2a:cab": 145, + "P -2b 2a": 145, + "P-2b2a": 145, + "P 2_1 c a": 146, + "P 21 c a": 146, + "P2_1ca": 146, "P 2_1 c a :-cba": 146, "P 21 c a :-cba": 146, "P2_1ca:-cba": 146, "P2_1ca :-cba": 146, "P21ca :-cba": 146, - "P -2ac 2a :-cba": 146, - "P-2ac2a:-cba": 146, + "P -2ac 2a": 146, + "P-2ac2a": 146, + "P c 2_1 b": 147, + "P c 21 b": 147, + "Pc2_1b": 147, "P c 2_1 b :bca": 147, "P c 21 b :bca": 147, "Pc2_1b:bca": 147, "Pc2_1b :bca": 147, "Pc21b :bca": 147, - "P -2bc -2c :bca": 147, - "P-2bc-2c:bca": 147, + "P -2bc -2c": 147, + "P-2bc-2c": 147, + "P b 2_1 a": 148, + "P b 21 a": 148, + "Pb2_1a": 148, "P b 2_1 a :a-cb": 148, "P b 21 a :a-cb": 148, "Pb2_1a:a-cb": 148, "Pb2_1a :a-cb": 148, "Pb21a :a-cb": 148, - "P -2a -2ab :a-cb": 148, - "P-2a-2ab:a-cb": 148, + "P -2a -2ab": 148, + "P-2a-2ab": 148, "P n c 2": 149, "Pnc2": 149, "P 2 -2bc": 149, "P2-2bc": 149, + "P c n 2": 150, + "Pcn2": 150, "P c n 2 :ba-c": 150, "Pcn2:ba-c": 150, "Pcn2 :ba-c": 150, - "P 2 -2ac :ba-c": 150, - "P2-2ac:ba-c": 150, + "P 2 -2ac": 150, + "P2-2ac": 150, + "P 2 n a": 151, + "P2na": 151, "P 2 n a :cab": 151, "P2na:cab": 151, "P2na :cab": 151, - "P -2ac 2 :cab": 151, - "P-2ac2:cab": 151, + "P -2ac 2": 151, + "P-2ac2": 151, + "P 2 a n": 152, + "P2an": 152, "P 2 a n :-cba": 152, "P2an:-cba": 152, "P2an :-cba": 152, - "P -2ab 2 :-cba": 152, - "P-2ab2:-cba": 152, + "P -2ab 2": 152, + "P-2ab2": 152, + "P b 2 n": 153, + "Pb2n": 153, "P b 2 n :bca": 153, "Pb2n:bca": 153, "Pb2n :bca": 153, - "P -2ab -2ab :bca": 153, - "P-2ab-2ab:bca": 153, + "P -2ab -2ab": 153, + "P-2ab-2ab": 153, + "P n 2 b": 154, + "Pn2b": 154, "P n 2 b :a-cb": 154, "Pn2b:a-cb": 154, "Pn2b :a-cb": 154, - "P -2bc -2bc :a-cb": 154, - "P-2bc-2bc:a-cb": 154, + "P -2bc -2bc": 154, + "P-2bc-2bc": 154, "P m n 2_1": 155, "P m n 21": 155, "Pmn2_1": 155, "Pmn21": 155, "P 2ac -2": 155, "P2ac-2": 155, + "P n m 2_1": 156, + "P n m 21": 156, + "Pnm2_1": 156, "P n m 2_1 :ba-c": 156, "P n m 21 :ba-c": 156, "Pnm2_1:ba-c": 156, "Pnm2_1 :ba-c": 156, "Pnm21 :ba-c": 156, - "P 2bc -2bc :ba-c": 156, - "P2bc-2bc:ba-c": 156, + "P 2bc -2bc": 156, + "P2bc-2bc": 156, + "P 2_1 m n": 157, + "P 21 m n": 157, + "P2_1mn": 157, "P 2_1 m n :cab": 157, "P 21 m n :cab": 157, "P2_1mn:cab": 157, "P2_1mn :cab": 157, "P21mn :cab": 157, - "P -2ab 2ab :cab": 157, - "P-2ab2ab:cab": 157, + "P -2ab 2ab": 157, + "P-2ab2ab": 157, + "P 2_1 n m": 158, + "P 21 n m": 158, + "P2_1nm": 158, "P 2_1 n m :-cba": 158, "P 21 n m :-cba": 158, "P2_1nm:-cba": 158, "P2_1nm :-cba": 158, "P21nm :-cba": 158, - "P -2 2ac :-cba": 158, - "P-22ac:-cba": 158, + "P -2 2ac": 158, + "P-22ac": 158, + "P n 2_1 m": 159, + "P n 21 m": 159, + "Pn2_1m": 159, "P n 2_1 m :bca": 159, "P n 21 m :bca": 159, "Pn2_1m:bca": 159, "Pn2_1m :bca": 159, "Pn21m :bca": 159, - "P -2 -2bc :bca": 159, - "P-2-2bc:bca": 159, + "P -2 -2bc": 159, + "P-2-2bc": 159, + "P m 2_1 n": 160, + "P m 21 n": 160, + "Pm2_1n": 160, "P m 2_1 n :a-cb": 160, "P m 21 n :a-cb": 160, "Pm2_1n:a-cb": 160, "Pm2_1n :a-cb": 160, "Pm21n :a-cb": 160, - "P -2ab -2 :a-cb": 160, - 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"P 2 2 -1ab :1": 233, - "P22-1ab:1": 233, - "P 2/b 2/a 2/n": 234, - "P2/b2/a2/n": 234, - "P 2/b 2/a 2/n :2": 234, - "P2/b2/a2/n:2": 234, + "P 2 2 -1ab": 233, + "P22-1ab": 233, "P b a n": 234, "Pban": 234, "P b a n :2": 234, "Pban:2": 234, "Pban :2": 234, - "-P 2ab 2b :2": 234, - "-P2ab2b:2": 234, - "P 2/n 2/c 2/b :1cab": 235, - "P2/n2/c2/b:1cab": 235, + "-P 2ab 2b": 234, + "-P2ab2b": 234, + "P 2/n 2/c 2/b": 236, + "P2/n2/c2/b": 236, "P n c b :1cab": 235, "Pncb:1cab": 235, "Pncb :1cab": 235, - "P 2 2 -1bc :1cab": 235, - "P22-1bc:1cab": 235, - "P 2/n 2/c 2/b :2cab": 236, - "P2/n2/c2/b:2cab": 236, + "P 2 2 -1bc": 235, + "P22-1bc": 235, "P n c b :2cab": 236, "Pncb:2cab": 236, "Pncb :2cab": 236, - "-P 2b 2bc :2cab": 236, - "-P2b2bc:2cab": 236, - "P 2/c 2/n 2/a :1bca": 237, - "P2/c2/n2/a:1bca": 237, + "-P 2b 2bc": 236, + "-P2b2bc": 236, + "P 2/c 2/n 2/a": 238, + "P2/c2/n2/a": 238, "P c n a :1bca": 237, "Pcna:1bca": 237, "Pcna :1bca": 237, - "P 2 2 -1ac :1bca": 237, - "P22-1ac:1bca": 237, - "P 2/c 2/n 2/a :2bca": 238, - "P2/c2/n2/a:2bca": 238, + "P 2 2 -1ac": 237, + "P22-1ac": 237, "P c n a :2bca": 238, "Pcna:2bca": 238, "Pcna :2bca": 238, - "-P 2a 2c :2bca": 238, - "-P2a2c:2bca": 238, + "-P 2a 2c": 238, + "-P2a2c": 238, "P 2_1/m 2/m 2/a": 239, "P 21/m 2/m 2/a": 239, "P2_1/m2/m2/a": 239, @@ -1632,46 +1753,46 @@ "Pmma": 239, "-P 2a 2a": 239, "-P2a2a": 239, - "P 2/m 2_1/m 2/b :ba-c": 240, - "P 2/m 21/m 2/b :ba-c": 240, - "P2/m2_1/m2/b:ba-c": 240, + "P 2/m 2_1/m 2/b": 240, + "P 2/m 21/m 2/b": 240, + "P2/m2_1/m2/b": 240, "P m m b :ba-c": 240, "Pmmb:ba-c": 240, "Pmmb :ba-c": 240, - "-P 2b 2 :ba-c": 240, - "-P2b2:ba-c": 240, - "P 2/b 2_1/m 2/m :cab": 241, - "P 2/b 21/m 2/m :cab": 241, - "P2/b2_1/m2/m:cab": 241, + "-P 2b 2": 240, + "-P2b2": 240, + "P 2/b 2_1/m 2/m": 241, + "P 2/b 21/m 2/m": 241, + "P2/b2_1/m2/m": 241, "P b m m :cab": 241, "Pbmm:cab": 241, "Pbmm :cab": 241, - "-P 2 2b :cab": 241, - "-P22b:cab": 241, - "P 2/c 2/m 2_1/m :-cba": 242, - "P 2/c 2/m 21/m :-cba": 242, - "P2/c2/m2_1/m:-cba": 242, + "-P 2 2b": 241, + "-P22b": 241, + "P 2/c 2/m 2_1/m": 242, + "P 2/c 2/m 21/m": 242, + "P2/c2/m2_1/m": 242, "P c m m :-cba": 242, "Pcmm:-cba": 242, "Pcmm :-cba": 242, - "-P 2c 2c :-cba": 242, - "-P2c2c:-cba": 242, - "P 2/m 2/c 2_1/m :bca": 243, - "P 2/m 2/c 21/m :bca": 243, - "P2/m2/c2_1/m:bca": 243, + "-P 2c 2c": 242, + "-P2c2c": 242, + "P 2/m 2/c 2_1/m": 243, + "P 2/m 2/c 21/m": 243, + "P2/m2/c2_1/m": 243, "P m c m :bca": 243, "Pmcm:bca": 243, "Pmcm :bca": 243, - "-P 2c 2 :bca": 243, - "-P2c2:bca": 243, - "P 2_1/m 2/a 2/m :a-cb": 244, - "P 21/m 2/a 2/m :a-cb": 244, - "P2_1/m2/a2/m:a-cb": 244, + "-P 2c 2": 243, + "-P2c2": 243, + "P 2_1/m 2/a 2/m": 244, + "P 21/m 2/a 2/m": 244, + "P2_1/m2/a2/m": 244, "P m a m :a-cb": 244, "Pmam:a-cb": 244, "Pmam :a-cb": 244, - "-P 2 2a :a-cb": 244, - "-P22a:a-cb": 244, + "-P 2 2a": 244, + "-P22a": 244, "P 2/n 2_1/n 2/a": 245, "P 2/n 21/n 2/a": 245, "P2/n2_1/n2/a": 245, @@ -1679,46 +1800,46 @@ "Pnna": 245, "-P 2a 2bc": 245, "-P2a2bc": 245, - "P 2_1/n 2/n 2/b :ba-c": 246, - "P 21/n 2/n 2/b :ba-c": 246, - "P2_1/n2/n2/b:ba-c": 246, + "P 2_1/n 2/n 2/b": 246, + "P 21/n 2/n 2/b": 246, + "P2_1/n2/n2/b": 246, "P n n b :ba-c": 246, "Pnnb:ba-c": 246, "Pnnb :ba-c": 246, - "-P 2b 2n :ba-c": 246, - "-P2b2n:ba-c": 246, - "P 2/b 2/n 2_1/n :cab": 247, - "P 2/b 2/n 21/n :cab": 247, - "P2/b2/n2_1/n:cab": 247, + "-P 2b 2n": 246, + "-P2b2n": 246, + "P 2/b 2/n 2_1/n": 247, + "P 2/b 2/n 21/n": 247, + "P2/b2/n2_1/n": 247, "P b n n :cab": 247, "Pbnn:cab": 247, "Pbnn :cab": 247, - "-P 2n 2b :cab": 247, - "-P2n2b:cab": 247, - "P 2/c 2_1/n 2/n :-cba": 248, - "P 2/c 21/n 2/n :-cba": 248, - "P2/c2_1/n2/n:-cba": 248, + "-P 2n 2b": 247, + "-P2n2b": 247, + "P 2/c 2_1/n 2/n": 248, + "P 2/c 21/n 2/n": 248, + "P2/c2_1/n2/n": 248, "P c n n :-cba": 248, "Pcnn:-cba": 248, "Pcnn :-cba": 248, - "-P 2ab 2c :-cba": 248, - "-P2ab2c:-cba": 248, - "P 2_1/n 2/c 2/n :bca": 249, - "P 21/n 2/c 2/n :bca": 249, - "P2_1/n2/c2/n:bca": 249, + "-P 2ab 2c": 248, + "-P2ab2c": 248, + "P 2_1/n 2/c 2/n": 249, + "P 21/n 2/c 2/n": 249, + "P2_1/n2/c2/n": 249, "P n c n :bca": 249, "Pncn:bca": 249, "Pncn :bca": 249, - "-P 2ab 2n :bca": 249, - "-P2ab2n:bca": 249, - "P 2/n 2/a 2_1/n :a-cb": 250, - "P 2/n 2/a 21/n :a-cb": 250, - "P2/n2/a2_1/n:a-cb": 250, + "-P 2ab 2n": 249, + "-P2ab2n": 249, + "P 2/n 2/a 2_1/n": 250, + "P 2/n 2/a 21/n": 250, + "P2/n2/a2_1/n": 250, "P n a n :a-cb": 250, "Pnan:a-cb": 250, "Pnan :a-cb": 250, - "-P 2n 2bc :a-cb": 250, - "-P2n2bc:a-cb": 250, + "-P 2n 2bc": 250, + "-P2n2bc": 250, "P 2/m 2/n 2_1/a": 251, "P 2/m 2/n 21/a": 251, "P2/m2/n2_1/a": 251, @@ -1726,46 +1847,46 @@ "Pmna": 251, "-P 2ac 2": 251, "-P2ac2": 251, - "P 2/n 2/m 2_1/b :ba-c": 252, - "P 2/n 2/m 21/b :ba-c": 252, - "P2/n2/m2_1/b:ba-c": 252, + "P 2/n 2/m 2_1/b": 252, + "P 2/n 2/m 21/b": 252, + "P2/n2/m2_1/b": 252, "P n m b :ba-c": 252, "Pnmb:ba-c": 252, "Pnmb :ba-c": 252, - "-P 2bc 2bc :ba-c": 252, - "-P2bc2bc:ba-c": 252, - "P 2_1/b 2/m 2/n :cab": 253, - "P 21/b 2/m 2/n :cab": 253, - "P2_1/b2/m2/n:cab": 253, + "-P 2bc 2bc": 252, + "-P2bc2bc": 252, + "P 2_1/b 2/m 2/n": 253, + "P 21/b 2/m 2/n": 253, + "P2_1/b2/m2/n": 253, "P b m n :cab": 253, "Pbmn:cab": 253, "Pbmn :cab": 253, - "-P 2ab 2ab :cab": 253, - "-P2ab2ab:cab": 253, - "P 2_1/c 2/n 2/m :-cba": 254, - "P 21/c 2/n 2/m :-cba": 254, - "P2_1/c2/n2/m:-cba": 254, + "-P 2ab 2ab": 253, + "-P2ab2ab": 253, + "P 2_1/c 2/n 2/m": 254, + "P 21/c 2/n 2/m": 254, + "P2_1/c2/n2/m": 254, "P c n m :-cba": 254, "Pcnm:-cba": 254, "Pcnm :-cba": 254, - "-P 2 2ac :-cba": 254, - "-P22ac:-cba": 254, - "P 2/n 2_1/c 2/m :bca": 255, - "P 2/n 21/c 2/m :bca": 255, - "P2/n2_1/c2/m:bca": 255, + "-P 2 2ac": 254, + "-P22ac": 254, + "P 2/n 2_1/c 2/m": 255, + "P 2/n 21/c 2/m": 255, + "P2/n2_1/c2/m": 255, "P n c m :bca": 255, "Pncm:bca": 255, "Pncm :bca": 255, - "-P 2 2bc :bca": 255, - "-P22bc:bca": 255, - "P 2/m 2_1/a 2/n :a-cb": 256, - "P 2/m 21/a 2/n :a-cb": 256, - "P2/m2_1/a2/n:a-cb": 256, + "-P 2 2bc": 255, + "-P22bc": 255, + "P 2/m 2_1/a 2/n": 256, + "P 2/m 21/a 2/n": 256, + "P2/m2_1/a2/n": 256, "P m a n :a-cb": 256, "Pman:a-cb": 256, "Pman :a-cb": 256, - "-P 2ab 2 :a-cb": 256, - "-P2ab2:a-cb": 256, + "-P 2ab 2": 256, + "-P2ab2": 256, "P 2_1/c 2/c 2/a": 257, "P 21/c 2/c 2/a": 257, "P2_1/c2/c2/a": 257, @@ -1773,46 +1894,46 @@ "Pcca": 257, "-P 2a 2ac": 257, "-P2a2ac": 257, - "P 2/c 2_1/c 2/b :ba-c": 258, - "P 2/c 21/c 2/b :ba-c": 258, - "P2/c2_1/c2/b:ba-c": 258, + "P 2/c 2_1/c 2/b": 258, + "P 2/c 21/c 2/b": 258, + "P2/c2_1/c2/b": 258, "P c c b :ba-c": 258, "Pccb:ba-c": 258, "Pccb :ba-c": 258, - "-P 2b 2c :ba-c": 258, - "-P2b2c:ba-c": 258, - "P 2/b 2_1/a 2/a :cab": 259, - "P 2/b 21/a 2/a :cab": 259, - "P2/b2_1/a2/a:cab": 259, + "-P 2b 2c": 258, + "-P2b2c": 258, + "P 2/b 2_1/a 2/a": 259, + "P 2/b 21/a 2/a": 259, + "P2/b2_1/a2/a": 259, "P b a a :cab": 259, "Pbaa:cab": 259, "Pbaa :cab": 259, - "-P 2a 2b :cab": 259, - "-P2a2b:cab": 259, - "P 2/c 2/a 2_1/a :-cba": 260, - "P 2/c 2/a 21/a :-cba": 260, - "P2/c2/a2_1/a:-cba": 260, + "-P 2a 2b": 259, + "-P2a2b": 259, + "P 2/c 2/a 2_1/a": 260, + "P 2/c 2/a 21/a": 260, + "P2/c2/a2_1/a": 260, "P c a a :-cba": 260, "Pcaa:-cba": 260, "Pcaa :-cba": 260, - "-P 2ac 2c :-cba": 260, - "-P2ac2c:-cba": 260, - "P 2/b 2/c 2_1/b :bca": 261, - "P 2/b 2/c 21/b :bca": 261, - "P2/b2/c2_1/b:bca": 261, + "-P 2ac 2c": 260, + "-P2ac2c": 260, + "P 2/b 2/c 2_1/b": 261, + "P 2/b 2/c 21/b": 261, + "P2/b2/c2_1/b": 261, "P b c b :bca": 261, "Pbcb:bca": 261, "Pbcb :bca": 261, - "-P 2bc 2b :bca": 261, - "-P2bc2b:bca": 261, - "P 2_1/b 2/a 2/b :a-cb": 262, - "P 21/b 2/a 2/b :a-cb": 262, - "P2_1/b2/a2/b:a-cb": 262, + "-P 2bc 2b": 261, + "-P2bc2b": 261, + "P 2_1/b 2/a 2/b": 262, + "P 21/b 2/a 2/b": 262, + "P2_1/b2/a2/b": 262, "P b a b :a-cb": 262, "Pbab:a-cb": 262, "Pbab :a-cb": 262, - "-P 2b 2ab :a-cb": 262, - "-P2b2ab:a-cb": 262, + "-P 2b 2ab": 262, + "-P2b2ab": 262, "P 2_1/b 2_1/a 2/m": 263, "P 21/b 21/a 2/m": 263, "P2_1/b2_1/a2/m": 263, @@ -1820,22 +1941,22 @@ "Pbam": 263, "-P 2 2ab": 263, "-P22ab": 263, - "P 2/m 2_1/c 2_1/b :cab": 264, - "P 2/m 21/c 21/b :cab": 264, - "P2/m2_1/c2_1/b:cab": 264, + "P 2/m 2_1/c 2_1/b": 264, + "P 2/m 21/c 21/b": 264, + "P2/m2_1/c2_1/b": 264, "P m c b :cab": 264, "Pmcb:cab": 264, "Pmcb :cab": 264, - "-P 2bc 2 :cab": 264, - "-P2bc2:cab": 264, - "P 2_1/c 2/m 2_1/a :bca": 265, - "P 21/c 2/m 21/a :bca": 265, - "P2_1/c2/m2_1/a:bca": 265, + "-P 2bc 2": 264, + "-P2bc2": 264, + "P 2_1/c 2/m 2_1/a": 265, + "P 21/c 2/m 21/a": 265, + "P2_1/c2/m2_1/a": 265, "P c m a :bca": 265, "Pcma:bca": 265, "Pcma :bca": 265, - "-P 2ac 2ac :bca": 265, - "-P2ac2ac:bca": 265, + "-P 2ac 2ac": 265, + "-P2ac2ac": 265, "P 2_1/c 2_1/c 2/n": 266, "P 21/c 21/c 2/n": 266, "P2_1/c2_1/c2/n": 266, @@ -1843,22 +1964,22 @@ "Pccn": 266, "-P 2ab 2ac": 266, "-P2ab2ac": 266, - "P 2/n 2_1/a 2_1/a :cab": 267, - "P 2/n 21/a 21/a :cab": 267, - "P2/n2_1/a2_1/a:cab": 267, + "P 2/n 2_1/a 2_1/a": 267, + "P 2/n 21/a 21/a": 267, + "P2/n2_1/a2_1/a": 267, "P n a a :cab": 267, "Pnaa:cab": 267, "Pnaa :cab": 267, - "-P 2ac 2bc :cab": 267, - "-P2ac2bc:cab": 267, - "P 2_1/b 2/n 2_1/b :bca": 268, - "P 21/b 2/n 21/b :bca": 268, - "P2_1/b2/n2_1/b:bca": 268, + "-P 2ac 2bc": 267, + "-P2ac2bc": 267, + "P 2_1/b 2/n 2_1/b": 268, + "P 21/b 2/n 21/b": 268, + "P2_1/b2/n2_1/b": 268, "P b n b :bca": 268, "Pbnb:bca": 268, "Pbnb :bca": 268, - "-P 2bc 2ab :bca": 268, - "-P2bc2ab:bca": 268, + "-P 2bc 2ab": 268, + "-P2bc2ab": 268, "P 2/b 2_1/c 2_1/m": 269, "P 2/b 21/c 21/m": 269, "P2/b2_1/c2_1/m": 269, @@ -1866,46 +1987,46 @@ "Pbcm": 269, "-P 2c 2b": 269, "-P2c2b": 269, - "P 2_1/c 2/a 2_1/m :ba-c": 270, - "P 21/c 2/a 21/m :ba-c": 270, - "P2_1/c2/a2_1/m:ba-c": 270, + "P 2_1/c 2/a 2_1/m": 270, + "P 21/c 2/a 21/m": 270, + "P2_1/c2/a2_1/m": 270, "P c a m :ba-c": 270, "Pcam:ba-c": 270, "Pcam :ba-c": 270, - "-P 2c 2ac :ba-c": 270, - "-P2c2ac:ba-c": 270, - "P 2_1/m 2/c 2_1/a :cab": 271, - "P 21/m 2/c 21/a :cab": 271, - "P2_1/m2/c2_1/a:cab": 271, + "-P 2c 2ac": 270, + "-P2c2ac": 270, + "P 2_1/m 2/c 2_1/a": 271, + "P 21/m 2/c 21/a": 271, + "P2_1/m2/c2_1/a": 271, "P m c a :cab": 271, "Pmca:cab": 271, "Pmca :cab": 271, - "-P 2ac 2a :cab": 271, - "-P2ac2a:cab": 271, - "P 2_1/m 2_1/a 2/b :-cba": 272, - "P 21/m 21/a 2/b :-cba": 272, - "P2_1/m2_1/a2/b:-cba": 272, + "-P 2ac 2a": 271, + "-P2ac2a": 271, + "P 2_1/m 2_1/a 2/b": 272, + "P 21/m 21/a 2/b": 272, + "P2_1/m2_1/a2/b": 272, "P m a b :-cba": 272, "Pmab:-cba": 272, "Pmab :-cba": 272, - "-P 2b 2a :-cba": 272, - "-P2b2a:-cba": 272, - "P 2_1/b 2_1/m 2/a :bca": 273, - "P 21/b 21/m 2/a :bca": 273, - "P2_1/b2_1/m2/a:bca": 273, + "-P 2b 2a": 272, + "-P2b2a": 272, + "P 2_1/b 2_1/m 2/a": 273, + "P 21/b 21/m 2/a": 273, + "P2_1/b2_1/m2/a": 273, "P b m a :bca": 273, "Pbma:bca": 273, "Pbma :bca": 273, - "-P 2a 2ab :bca": 273, - "-P2a2ab:bca": 273, - "P 2/c 2_1/m 2_1/b :a-cb": 274, - "P 2/c 21/m 21/b :a-cb": 274, - "P2/c2_1/m2_1/b:a-cb": 274, + "-P 2a 2ab": 273, + "-P2a2ab": 273, + "P 2/c 2_1/m 2_1/b": 274, + "P 2/c 21/m 21/b": 274, + "P2/c2_1/m2_1/b": 274, "P c m b :a-cb": 274, "Pcmb:a-cb": 274, "Pcmb :a-cb": 274, - "-P 2bc 2c :a-cb": 274, - "-P2bc2c:a-cb": 274, + "-P 2bc 2c": 274, + "-P2bc2c": 274, "P 2_1/n 2_1/n 2/m": 275, "P 21/n 21/n 2/m": 275, "P2_1/n2_1/n2/m": 275, @@ -1913,75 +2034,63 @@ "Pnnm": 275, "-P 2 2n": 275, "-P22n": 275, - "P 2/m 2_1/n 2_1/n :cab": 276, - "P 2/m 21/n 21/n :cab": 276, - "P2/m2_1/n2_1/n:cab": 276, + "P 2/m 2_1/n 2_1/n": 276, + "P 2/m 21/n 21/n": 276, + "P2/m2_1/n2_1/n": 276, "P m n n :cab": 276, "Pmnn:cab": 276, "Pmnn :cab": 276, - "-P 2n 2 :cab": 276, - "-P2n2:cab": 276, - "P 2_1/n 2/m 2_1/n :bca": 277, - "P 21/n 2/m 21/n :bca": 277, - "P2_1/n2/m2_1/n:bca": 277, + "-P 2n 2": 276, + "-P2n2": 276, + "P 2_1/n 2/m 2_1/n": 277, + "P 21/n 2/m 21/n": 277, + "P2_1/n2/m2_1/n": 277, "P n m n :bca": 277, "Pnmn:bca": 277, "Pnmn :bca": 277, - "-P 2n 2n :bca": 277, - "-P2n2n:bca": 277, - "P 2_1/m 2_1/m 2/n :1": 278, - "P 21/m 21/m 2/n :1": 278, - "P2_1/m2_1/m2/n:1": 278, - "P m m n :1": 278, - "Pmmn:1": 278, - "Pmmn :1": 278, - "P 2 2ab -1ab :1": 278, - "P22ab-1ab:1": 278, + "-P 2n 2n": 277, + "-P2n2n": 277, "P 2_1/m 2_1/m 2/n": 279, "P 21/m 21/m 2/n": 279, "P2_1/m2_1/m2/n": 279, - "P 2_1/m 2_1/m 2/n :2": 279, - "P 21/m 21/m 2/n :2": 279, - "P2_1/m2_1/m2/n:2": 279, + "P m m n :1": 278, + "Pmmn:1": 278, + "Pmmn :1": 278, + "P 2 2ab -1ab": 278, + "P22ab-1ab": 278, "P m m n": 279, "Pmmn": 279, "P m m n :2": 279, "Pmmn:2": 279, "Pmmn :2": 279, - "-P 2ab 2a :2": 279, - "-P2ab2a:2": 279, - "P 2/n 2_1/m 2_1/m :1cab": 280, - "P 2/n 21/m 21/m :1cab": 280, - "P2/n2_1/m2_1/m:1cab": 280, + "-P 2ab 2a": 279, + "-P2ab2a": 279, + "P 2/n 2_1/m 2_1/m": 281, + "P 2/n 21/m 21/m": 281, + "P2/n2_1/m2_1/m": 281, "P n m m :1cab": 280, "Pnmm:1cab": 280, "Pnmm :1cab": 280, - "P 2bc 2 -1bc :1cab": 280, - "P2bc2-1bc:1cab": 280, - "P 2/n 2_1/m 2_1/m :2cab": 281, - "P 2/n 21/m 21/m :2cab": 281, - "P2/n2_1/m2_1/m:2cab": 281, + "P 2bc 2 -1bc": 280, + "P2bc2-1bc": 280, "P n m m :2cab": 281, "Pnmm:2cab": 281, "Pnmm :2cab": 281, - "-P 2c 2bc :2cab": 281, - "-P2c2bc:2cab": 281, - "P 2_1/m 2/n 2_1/m :1bca": 282, - "P 21/m 2/n 21/m :1bca": 282, - "P2_1/m2/n2_1/m:1bca": 282, + "-P 2c 2bc": 281, + "-P2c2bc": 281, + "P 2_1/m 2/n 2_1/m": 283, + "P 21/m 2/n 21/m": 283, + "P2_1/m2/n2_1/m": 283, "P m n m :1bca": 282, "Pmnm:1bca": 282, "Pmnm :1bca": 282, - "P 2ac 2ac -1ac :1bca": 282, - "P2ac2ac-1ac:1bca": 282, - "P 2_1/m 2/n 2_1/m :2bca": 283, - "P 21/m 2/n 21/m :2bca": 283, - "P2_1/m2/n2_1/m:2bca": 283, + "P 2ac 2ac -1ac": 282, + "P2ac2ac-1ac": 282, "P m n m :2bca": 283, "Pmnm:2bca": 283, "Pmnm :2bca": 283, - "-P 2c 2a :2bca": 283, - "-P2c2a:2bca": 283, + "-P 2c 2a": 283, + "-P2c2a": 283, "P 2_1/b 2/c 2_1/n": 284, "P 21/b 2/c 21/n": 284, "P2_1/b2/c2_1/n": 284, @@ -1989,46 +2098,46 @@ "Pbcn": 284, "-P 2n 2ab": 284, "-P2n2ab": 284, - "P 2/c 2_1/a 2_1/n :ba-c": 285, - "P 2/c 21/a 21/n :ba-c": 285, - "P2/c2_1/a2_1/n:ba-c": 285, + "P 2/c 2_1/a 2_1/n": 285, + "P 2/c 21/a 21/n": 285, + "P2/c2_1/a2_1/n": 285, "P c a n :ba-c": 285, "Pcan:ba-c": 285, "Pcan :ba-c": 285, - "-P 2n 2c :ba-c": 285, - "-P2n2c:ba-c": 285, - "P 2_1/n 2_1/c 2/a :cab": 286, - "P 21/n 21/c 2/a :cab": 286, - "P2_1/n2_1/c2/a:cab": 286, + "-P 2n 2c": 285, + "-P2n2c": 285, + "P 2_1/n 2_1/c 2/a": 286, + "P 21/n 21/c 2/a": 286, + "P2_1/n2_1/c2/a": 286, "P n c a :cab": 286, "Pnca:cab": 286, "Pnca :cab": 286, - "-P 2a 2n :cab": 286, - "-P2a2n:cab": 286, - "P 2_1/n 2/a 2_1/b :-cba": 287, - "P 21/n 2/a 21/b :-cba": 287, - "P2_1/n2/a2_1/b:-cba": 287, + "-P 2a 2n": 286, + "-P2a2n": 286, + "P 2_1/n 2/a 2_1/b": 287, + "P 21/n 2/a 21/b": 287, + "P2_1/n2/a2_1/b": 287, "P n a b :-cba": 287, "Pnab:-cba": 287, "Pnab :-cba": 287, - "-P 2bc 2n :-cba": 287, - "-P2bc2n:-cba": 287, - "P 2/b 2_1/n 2_1/a :bca": 288, - "P 2/b 21/n 21/a :bca": 288, - "P2/b2_1/n2_1/a:bca": 288, + "-P 2bc 2n": 287, + "-P2bc2n": 287, + "P 2/b 2_1/n 2_1/a": 288, + "P 2/b 21/n 21/a": 288, + "P2/b2_1/n2_1/a": 288, "P b n a :bca": 288, "Pbna:bca": 288, "Pbna :bca": 288, - "-P 2ac 2b :bca": 288, - "-P2ac2b:bca": 288, - "P 2_1/c 2_1/n 2/b :a-cb": 289, - "P 21/c 21/n 2/b :a-cb": 289, - "P2_1/c2_1/n2/b:a-cb": 289, + "-P 2ac 2b": 288, + "-P2ac2b": 288, + "P 2_1/c 2_1/n 2/b": 289, + "P 21/c 21/n 2/b": 289, + "P2_1/c2_1/n2/b": 289, "P c n b :a-cb": 289, "Pcnb:a-cb": 289, "Pcnb :a-cb": 289, - "-P 2b 2ac :a-cb": 289, - "-P2b2ac:a-cb": 289, + "-P 2b 2ac": 289, + "-P2b2ac": 289, "P 2_1/b 2_1/c 2_1/a": 290, "P 21/b 21/c 21/a": 290, "P2_1/b2_1/c2_1/a": 290, @@ -2036,14 +2145,14 @@ "Pbca": 290, "-P 2ac 2ab": 290, "-P2ac2ab": 290, - "P 2_1/c 2_1/a 2_1/b :ba-c": 291, - "P 21/c 21/a 21/b :ba-c": 291, - "P2_1/c2_1/a2_1/b:ba-c": 291, + "P 2_1/c 2_1/a 2_1/b": 291, + "P 21/c 21/a 21/b": 291, + "P2_1/c2_1/a2_1/b": 291, "P c a b :ba-c": 291, "Pcab:ba-c": 291, "Pcab :ba-c": 291, - "-P 2bc 2ac :ba-c": 291, - "-P2bc2ac:ba-c": 291, + "-P 2bc 2ac": 291, + "-P2bc2ac": 291, "P 2_1/n 2_1/m 2_1/a": 292, "P 21/n 21/m 21/a": 292, "P2_1/n2_1/m2_1/a": 292, @@ -2051,46 +2160,46 @@ "Pnma": 292, "-P 2ac 2n": 292, "-P2ac2n": 292, - "P 2_1/m 2_1/n 2_1/b :ba-c": 293, - "P 21/m 21/n 21/b :ba-c": 293, - "P2_1/m2_1/n2_1/b:ba-c": 293, + "P 2_1/m 2_1/n 2_1/b": 293, + "P 21/m 21/n 21/b": 293, + "P2_1/m2_1/n2_1/b": 293, "P m n b :ba-c": 293, "Pmnb:ba-c": 293, "Pmnb :ba-c": 293, - "-P 2bc 2a :ba-c": 293, - "-P2bc2a:ba-c": 293, - "P 2_1/b 2_1/n 2_1/m :cab": 294, - "P 21/b 21/n 21/m :cab": 294, - "P2_1/b2_1/n2_1/m:cab": 294, + "-P 2bc 2a": 293, + "-P2bc2a": 293, + "P 2_1/b 2_1/n 2_1/m": 294, + "P 21/b 21/n 21/m": 294, + "P2_1/b2_1/n2_1/m": 294, "P b n m :cab": 294, "Pbnm:cab": 294, "Pbnm :cab": 294, - "-P 2c 2ab :cab": 294, - "-P2c2ab:cab": 294, - "P 2_1/c 2_1/m 2_1/n :-cba": 295, - "P 21/c 21/m 21/n :-cba": 295, - "P2_1/c2_1/m2_1/n:-cba": 295, + "-P 2c 2ab": 294, + "-P2c2ab": 294, + "P 2_1/c 2_1/m 2_1/n": 295, + "P 21/c 21/m 21/n": 295, + "P2_1/c2_1/m2_1/n": 295, "P c m n :-cba": 295, "Pcmn:-cba": 295, "Pcmn :-cba": 295, - "-P 2n 2ac :-cba": 295, - "-P2n2ac:-cba": 295, - "P 2_1/m 2_1/c 2_1/n :bca": 296, - "P 21/m 21/c 21/n :bca": 296, - "P2_1/m2_1/c2_1/n:bca": 296, + "-P 2n 2ac": 295, + "-P2n2ac": 295, + "P 2_1/m 2_1/c 2_1/n": 296, + "P 21/m 21/c 21/n": 296, + "P2_1/m2_1/c2_1/n": 296, "P m c n :bca": 296, "Pmcn:bca": 296, "Pmcn :bca": 296, - "-P 2n 2a :bca": 296, - "-P2n2a:bca": 296, - "P 2_1/n 2_1/a 2_1/m :a-cb": 297, - "P 21/n 21/a 21/m :a-cb": 297, - "P2_1/n2_1/a2_1/m:a-cb": 297, + "-P 2n 2a": 296, + "-P2n2a": 296, + "P 2_1/n 2_1/a 2_1/m": 297, + "P 21/n 21/a 21/m": 297, + "P2_1/n2_1/a2_1/m": 297, "P n a m :a-cb": 297, "Pnam:a-cb": 297, "Pnam :a-cb": 297, - "-P 2c 2n :a-cb": 297, - "-P2c2n:a-cb": 297, + "-P 2c 2n": 297, + "-P2c2n": 297, "C 2/m 2/c 2_1/m": 298, "C 2/m 2/c 21/m": 298, "C2/m2/c2_1/m": 298, @@ -2098,286 +2207,250 @@ "Cmcm": 298, "-C 2c 2": 298, "-C2c2": 298, - "C 2/c 2/m 2_1/m :ba-c": 299, - "C 2/c 2/m 21/m :ba-c": 299, - "C2/c2/m2_1/m:ba-c": 299, + "C 2/c 2/m 2_1/m": 299, + "C 2/c 2/m 21/m": 299, + "C2/c2/m2_1/m": 299, "C c m m :ba-c": 299, "Ccmm:ba-c": 299, "Ccmm :ba-c": 299, - "-C 2c 2c :ba-c": 299, - "-C2c2c:ba-c": 299, - "A 2_1/m 2/m 2/a :cab": 300, - "A 21/m 2/m 2/a :cab": 300, - "A2_1/m2/m2/a:cab": 300, + "-C 2c 2c": 299, + "-C2c2c": 299, + "A 2_1/m 2/m 2/a": 300, + "A 21/m 2/m 2/a": 300, + "A2_1/m2/m2/a": 300, "A m m a :cab": 300, "Amma:cab": 300, "Amma :cab": 300, - "-A 2a 2a :cab": 300, - "-A2a2a:cab": 300, - "A 2_1/m 2/a 2/m :-cba": 301, - "A 21/m 2/a 2/m :-cba": 301, - "A2_1/m2/a2/m:-cba": 301, + "-A 2a 2a": 300, + "-A2a2a": 300, + "A 2_1/m 2/a 2/m": 301, + "A 21/m 2/a 2/m": 301, + "A2_1/m2/a2/m": 301, "A m a m :-cba": 301, "Amam:-cba": 301, "Amam :-cba": 301, - "-A 2 2a :-cba": 301, - "-A22a:-cba": 301, - "B 2/b 2_1/m 2/m :bca": 302, - "B 2/b 21/m 2/m :bca": 302, - "B2/b2_1/m2/m:bca": 302, + "-A 2 2a": 301, + "-A22a": 301, + "B 2/b 2_1/m 2/m": 302, + "B 2/b 21/m 2/m": 302, + "B2/b2_1/m2/m": 302, "B b m m :bca": 302, "Bbmm:bca": 302, "Bbmm :bca": 302, - "-B 2 2b :bca": 302, - "-B22b:bca": 302, - "B 2/m 2_1/m 2/b :a-cb": 303, - "B 2/m 21/m 2/b :a-cb": 303, - "B2/m2_1/m2/b:a-cb": 303, + "-B 2 2b": 302, + "-B22b": 302, + "B 2/m 2_1/m 2/b": 303, + "B 2/m 21/m 2/b": 303, + "B2/m2_1/m2/b": 303, "B m m b :a-cb": 303, "Bmmb:a-cb": 303, "Bmmb :a-cb": 303, - "-B 2b 2 :a-cb": 303, - "-B2b2:a-cb": 303, + "-B 2b 2": 303, + "-B2b2": 303, "C 2/m 2/c 2_1/e": 304, "C 2/m 2/c 21/e": 304, "C2/m2/c2_1/e": 304, "C m c e": 304, "Cmce": 304, - "-C 2bc 2": 304, - "-C2bc2": 304, - "C 2/c 2/m 2_1/e :ba-c": 305, - "C 2/c 2/m 21/e :ba-c": 305, - "C2/c2/m2_1/e:ba-c": 305, + "-C 2ac 2": 304, + "-C2ac2": 304, + "C 2/c 2/m 2_1/e": 305, + "C 2/c 2/m 21/e": 305, + "C2/c2/m2_1/e": 305, "C c m e :ba-c": 305, "Ccme:ba-c": 305, "Ccme :ba-c": 305, - "-C 2bc 2bc :ba-c": 305, - "-C2bc2bc:ba-c": 305, - "A 2_1/e 2/m 2/a :cab": 306, - "A 21/e 2/m 2/a :cab": 306, - "A2_1/e2/m2/a:cab": 306, + "-C 2ac 2ac": 305, + "-C2ac2ac": 305, + "A 2_1/e 2/m 2/a": 306, + "A 21/e 2/m 2/a": 306, + "A2_1/e2/m2/a": 306, "A e m a :cab": 306, "Aema:cab": 306, "Aema :cab": 306, - "-A 2ac 2ac :cab": 306, - "-A2ac2ac:cab": 306, - "A 2_1/e 2/a 2/m :-cba": 307, - "A 21/e 2/a 2/m :-cba": 307, - "A2_1/e2/a2/m:-cba": 307, + "-A 2ab 2ab": 306, + "-A2ab2ab": 306, + "A 2_1/e 2/a 2/m": 307, + "A 21/e 2/a 2/m": 307, + "A2_1/e2/a2/m": 307, "A e a m :-cba": 307, "Aeam:-cba": 307, "Aeam :-cba": 307, - "-A 2 2ac :-cba": 307, - "-A22ac:-cba": 307, - "B 2/b 2_1/e 2/m :bca": 308, - "B 2/b 21/e 2/m :bca": 308, - "B2/b2_1/e2/m:bca": 308, + "-A 2 2ab": 307, + "-A22ab": 307, + "B 2/b 2_1/e 2/m": 308, + "B 2/b 21/e 2/m": 308, + "B2/b2_1/e2/m": 308, "B b e m :bca": 308, "Bbem:bca": 308, "Bbem :bca": 308, - "-B 2 2bc :bca": 308, - "-B22bc:bca": 308, - "B 2/m 2_1/e 2/b :a-cb": 309, - "B 2/m 21/e 2/b :a-cb": 309, - "B2/m2_1/e2/b:a-cb": 309, + "-B 2 2ab": 308, + "-B22ab": 308, + "B 2/m 2_1/e 2/b": 309, + "B 2/m 21/e 2/b": 309, + "B2/m2_1/e2/b": 309, "B m e b :a-cb": 309, "Bmeb:a-cb": 309, "Bmeb :a-cb": 309, - "-B 2bc 2 :a-cb": 309, - "-B2bc2:a-cb": 309, + "-B 2ab 2": 309, + "-B2ab2": 309, "C 2/m 2/m 2/m": 310, "C2/m2/m2/m": 310, "C m m m": 310, "Cmmm": 310, "-C 2 2": 310, "-C22": 310, - "A 2/m 2/m 2/m :cab": 311, - "A2/m2/m2/m:cab": 311, + "A 2/m 2/m 2/m": 311, + "A2/m2/m2/m": 311, "A m m m :cab": 311, "Ammm:cab": 311, "Ammm :cab": 311, - "-A 2 2 :cab": 311, - "-A22:cab": 311, - "B 2/m 2/m 2/m :bca": 312, - "B2/m2/m2/m:bca": 312, + "-A 2 2": 311, + "-A22": 311, + "B 2/m 2/m 2/m": 312, + "B2/m2/m2/m": 312, "B m m m :bca": 312, "Bmmm:bca": 312, "Bmmm :bca": 312, - "-B 2 2 :bca": 312, - "-B22:bca": 312, + "-B 2 2": 312, + "-B22": 312, "C 2/c 2/c 2/m": 313, "C2/c2/c2/m": 313, "C c c m": 313, "Cccm": 313, "-C 2 2c": 313, "-C22c": 313, - "A 2/m 2/a 2/a :cab": 314, - "A2/m2/a2/a:cab": 314, + "A 2/m 2/a 2/a": 314, + "A2/m2/a2/a": 314, "A m a a :cab": 314, "Amaa:cab": 314, "Amaa :cab": 314, - "-A 2a 2 :cab": 314, - "-A2a2:cab": 314, - "B 2/b 2/m 2/b :bca": 315, - "B2/b2/m2/b:bca": 315, + "-A 2a 2": 314, + "-A2a2": 314, + "B 2/b 2/m 2/b": 315, + "B2/b2/m2/b": 315, "B b m b :bca": 315, "Bbmb:bca": 315, "Bbmb :bca": 315, - "-B 2b 2b :bca": 315, - "-B2b2b:bca": 315, - "C 2/m 2/m 2/e": 316, - "C2/m2/m2/e": 316, + "-B 2b 2b": 315, + "-B2b2b": 315, + "C 2/m 2/m 2/e": 317, + "C2/m2/m2/e": 317, "C m m e": 316, "Cmme": 316, - "-C 2b 2": 316, - "-C2b2": 316, - "C 2/m 2/m 2/e :ba-c": 317, - "C2/m2/m2/e:ba-c": 317, + "-C 2a 2": 316, + "-C2a2": 316, "C m m e :ba-c": 317, "Cmme:ba-c": 317, "Cmme :ba-c": 317, - "-C 2b 2b :ba-c": 317, - "-C2b2b:ba-c": 317, - "A 2/e 2/m 2/m :cab": 318, - "A2/e2/m2/m:cab": 318, + "-C 2a 2a": 317, + "-C2a2a": 317, + "A 2/e 2/m 2/m": 319, + "A2/e2/m2/m": 319, "A e m m :cab": 318, "Aemm:cab": 318, "Aemm :cab": 318, - "-A 2c 2c :cab": 318, - "-A2c2c:cab": 318, - "A 2/e 2/m 2/m :-cba": 319, - "A2/e2/m2/m:-cba": 319, + "-A 2b 2b": 318, + "-A2b2b": 318, "A e m m :-cba": 319, "Aemm:-cba": 319, "Aemm :-cba": 319, - "-A 2 2c :-cba": 319, - "-A22c:-cba": 319, - "B 2/m 2/e 2/m :bca": 320, - "B2/m2/e2/m:bca": 320, + "-A 2 2b": 319, + "-A22b": 319, + "B 2/m 2/e 2/m": 321, + "B2/m2/e2/m": 321, "B m e m :bca": 320, "Bmem:bca": 320, "Bmem :bca": 320, - "-B 2 2c :bca": 320, - "-B22c:bca": 320, - "B 2/m 2/e 2/m :a-cb": 321, - "B2/m2/e2/m:a-cb": 321, + "-B 2 2a": 320, + "-B22a": 320, "B m e m :a-cb": 321, "Bmem:a-cb": 321, "Bmem :a-cb": 321, - "-B 2c 2 :a-cb": 321, - "-B2c2:a-cb": 321, - "C 2/c 2/c 2/e :1": 322, - "C2/c2/c2/e:1": 322, + "-B 2a 2": 321, + "-B2a2": 321, + "C 2/c 2/c 2/e": 325, + "C2/c2/c2/e": 325, "C c c e :1": 322, "Ccce:1": 322, "Ccce :1": 322, - "C 2 2 -1bc :1": 322, - "C22-1bc:1": 322, - "C 2/c 2/c 2/e": 323, - "C2/c2/c2/e": 323, - "C 2/c 2/c 2/e :2": 323, - "C2/c2/c2/e:2": 323, + "C 2 2 -1ac": 324, + "C22-1ac": 324, "C c c e": 323, "Ccce": 323, "C c c e :2": 323, "Ccce:2": 323, "Ccce :2": 323, - "-C 2b 2bc :2": 323, - "-C2b2bc:2": 323, - "C 2/c 2/c 2/e :1ba-c": 324, - "C2/c2/c2/e:1ba-c": 324, + "-C 2a 2ac": 323, + "-C2a2ac": 323, "C c c e :1ba-c": 324, "Ccce:1ba-c": 324, "Ccce :1ba-c": 324, - "C 2 2 -1bc :1ba-c": 324, - "C22-1bc:1ba-c": 324, - "C 2/c 2/c 2/e :2ba-c": 325, - "C2/c2/c2/e:2ba-c": 325, "C c c e :2ba-c": 325, "Ccce:2ba-c": 325, "Ccce :2ba-c": 325, - "-C 2b 2c :2ba-c": 325, - "-C2b2c:2ba-c": 325, - "A 2/e 2/a 2/a :1cab": 326, - "A2/e2/a2/a:1cab": 326, + "-C 2a 2c": 325, + "-C2a2c": 325, + "A 2/e 2/a 2/a": 329, + "A2/e2/a2/a": 329, "A e a a :1cab": 326, "Aeaa:1cab": 326, "Aeaa :1cab": 326, - "A 2 2 -1ac :1cab": 326, - "A22-1ac:1cab": 326, - "A 2/e 2/a 2/a :2cab": 327, - "A2/e2/a2/a:2cab": 327, + "A 2 2 -1ab": 328, + "A22-1ab": 328, "A e a a :2cab": 327, "Aeaa:2cab": 327, "Aeaa :2cab": 327, - "-A 2a 2c :2cab": 327, - "-A2a2c:2cab": 327, - "A 2/e 2/a 2/a :1-cba": 328, - "A2/e2/a2/a:1-cba": 328, + "-A 2a 2b": 327, + "-A2a2b": 327, "A e a a :1-cba": 328, "Aeaa:1-cba": 328, "Aeaa :1-cba": 328, - "A 2 2 -1ac :1-cba": 328, - "A22-1ac:1-cba": 328, - "A 2/e 2/a 2/a :2-cba": 329, - "A2/e2/a2/a:2-cba": 329, "A e a a :2-cba": 329, "Aeaa:2-cba": 329, "Aeaa :2-cba": 329, - "-A 2ac 2c :2-cba": 329, - "-A2ac2c:2-cba": 329, - "B 2/b 2/e 2/b :1bca": 330, - "B2/b2/e2/b:1bca": 330, + "-A 2ab 2b": 329, + "-A2ab2b": 329, + "B 2/b 2/e 2/b": 333, + "B2/b2/e2/b": 333, "B b e b :1bca": 330, "Bbeb:1bca": 330, "Bbeb :1bca": 330, - "B 2 2 -1bc :1bca": 330, - "B22-1bc:1bca": 330, - "B 2/b 2/e 2/b :2bca": 331, - "B2/b2/e2/b:2bca": 331, + "B 2 2 -1ab": 332, + "B22-1ab": 332, "B b c b :2bca": 331, "Bbcb:2bca": 331, "Bbcb :2bca": 331, - "-B 2bc 2b :2bca": 331, - "-B2bc2b:2bca": 331, - "B 2/b 2/e 2/b :1a-cb": 332, - "B2/b2/e2/b:1a-cb": 332, + "-B 2ab 2b": 331, + "-B2ab2b": 331, "B b e b :1a-cb": 332, "Bbeb:1a-cb": 332, "Bbeb :1a-cb": 332, - "B 2 2 -1bc :1a-cb": 332, - "B22-1bc:1a-cb": 332, - "B 2/b 2/e 2/b :2a-cb": 333, - "B2/b2/e2/b:2a-cb": 333, "B b e b :2a-cb": 333, "Bbeb:2a-cb": 333, "Bbeb :2a-cb": 333, - "-B 2b 2bc :2a-cb": 333, - "-B2b2bc:2a-cb": 333, + "-B 2b 2ab": 333, + "-B2b2ab": 333, "F 2/m 2/m 2/m": 334, "F2/m2/m2/m": 334, "F m m m": 334, "Fmmm": 334, "-F 2 2": 334, "-F22": 334, - "F 2/d 2/d 2/d :1": 335, - "F2/d2/d2/d:1": 335, + "F 2/d 2/d 2/d": 336, + "F2/d2/d2/d": 336, "F d d d :1": 335, "Fddd:1": 335, "Fddd :1": 335, - "F 2 2 -1d :1": 335, - "F22-1d:1": 335, - "F 2/d 2/d 2/d": 336, - "F2/d2/d2/d": 336, - "F 2/d 2/d 2/d :2": 336, - "F2/d2/d2/d:2": 336, + "F 2 2 -1d": 335, + "F22-1d": 335, "F d d d": 336, "Fddd": 336, "F d d d :2": 336, "Fddd:2": 336, "Fddd :2": 336, - "-F 2uv 2vw :2": 336, - "-F2uv2vw:2": 336, + "-F 2uv 2vw": 336, + "-F2uv2vw": 336, "I 2/m 2/m 2/m": 337, "I2/m2/m2/m": 337, "I m m m": 337, @@ -2390,74 +2463,74 @@ "Ibam": 338, "-I 2 2c": 338, "-I22c": 338, - "I 2/m 2/c 2/b :cab": 339, - "I2/m2/c2/b:cab": 339, + "I 2/m 2/c 2/b": 339, + "I2/m2/c2/b": 339, "I m c b :cab": 339, "Imcb:cab": 339, "Imcb :cab": 339, - "-I 2a 2 :cab": 339, - "-I2a2:cab": 339, - "I 2/c 2/m 2/a :bca": 340, - "I2/c2/m2/a:bca": 340, + "-I 2a 2": 339, + "-I2a2": 339, + "I 2/c 2/m 2/a": 340, + "I2/c2/m2/a": 340, "I c m a :bca": 340, "Icma:bca": 340, "Icma :bca": 340, - "-I 2b 2b :bca": 340, - "-I2b2b:bca": 340, + "-I 2b 2b": 340, + "-I2b2b": 340, "I 2/b 2/c 2/a": 341, "I2/b2/c2/a": 341, "I b c a": 341, "Ibca": 341, "-I 2b 2c": 341, "-I2b2c": 341, - "I 2/c 2/a 2/b :ba-c": 342, - "I2/c2/a2/b:ba-c": 342, + "I 2/c 2/a 2/b": 342, + "I2/c2/a2/b": 342, "I c a b :ba-c": 342, "Icab:ba-c": 342, "Icab :ba-c": 342, - "-I 2a 2b :ba-c": 342, - "-I2a2b:ba-c": 342, + "-I 2a 2b": 342, + "-I2a2b": 342, "I 2/m 2/m 2/a": 343, "I2/m2/m2/a": 343, "I m m a": 343, "Imma": 343, "-I 2b 2": 343, "-I2b2": 343, - "I 2/m 2/m 2/b :ba-c": 344, - "I2/m2/m2/b:ba-c": 344, + "I 2/m 2/m 2/b": 344, + "I2/m2/m2/b": 344, "I m m b :ba-c": 344, "Immb:ba-c": 344, "Immb :ba-c": 344, - "-I 2a 2a :ba-c": 344, - "-I2a2a:ba-c": 344, - "I 2/b 2/m 2/m :cab": 345, - "I2/b2/m2/m:cab": 345, + "-I 2a 2a": 344, + "-I2a2a": 344, + "I 2/b 2/m 2/m": 345, + "I2/b2/m2/m": 345, "I b m m :cab": 345, "Ibmm:cab": 345, "Ibmm :cab": 345, - "-I 2c 2c :cab": 345, - "-I2c2c:cab": 345, - "I 2/c 2/m 2/m :-cba": 346, - "I2/c2/m2/m:-cba": 346, + "-I 2c 2c": 345, + "-I2c2c": 345, + "I 2/c 2/m 2/m": 346, + "I2/c2/m2/m": 346, "I c m m :-cba": 346, "Icmm:-cba": 346, "Icmm :-cba": 346, - "-I 2 2b :-cba": 346, - "-I22b:-cba": 346, - "I 2/m 2/c 2/m :bca": 347, - "I2/m2/c2/m:bca": 347, + "-I 2 2b": 346, + "-I22b": 346, + "I 2/m 2/c 2/m": 347, + "I2/m2/c2/m": 347, "I m c m :bca": 347, "Imcm:bca": 347, "Imcm :bca": 347, - "-I 2 2a :bca": 347, - "-I22a:bca": 347, - "I 2/m 2/a 2/m :a-cb": 348, - "I2/m2/a2/m:a-cb": 348, + "-I 2 2a": 347, + "-I22a": 347, + "I 2/m 2/a 2/m": 348, + "I2/m2/a2/m": 348, "I m a m :a-cb": 348, "Imam:a-cb": 348, "Imam :a-cb": 348, - "-I 2c 2 :a-cb": 348, - "-I2c2:a-cb": 348, + "-I 2c 2": 348, + "-I2c2": 348, "P 4": 349, "P4": 349, "P 4_1": 350, @@ -2500,58 +2573,58 @@ "P42/m": 358, "-P 4c": 358, "-P4c": 358, + "P 4/n": 360, + "P4/n": 360, "P 4/n :1": 359, "P4/n:1": 359, "P4/n :1": 359, - "P 4ab -1ab :1": 359, - "P4ab-1ab:1": 359, - "P 4/n": 360, - "P4/n": 360, + "P 4ab -1ab": 359, + "P4ab-1ab": 359, "P 4/n :2": 360, "P4/n:2": 360, "P4/n :2": 360, - "-P 4a :2": 360, - "-P4a:2": 360, + "-P 4a": 360, + "-P4a": 360, + "P 4_2/n": 362, + "P 42/n": 362, + "P4_2/n": 362, "P 4_2/n :1": 361, "P 42/n :1": 361, "P4_2/n:1": 361, "P4_2/n :1": 361, "P42/n :1": 361, - "P 4n -1n :1": 361, - "P4n-1n:1": 361, - "P 4_2/n": 362, - "P 42/n": 362, - "P4_2/n": 362, + "P 4n -1n": 361, + "P4n-1n": 361, "P 4_2/n :2": 362, "P 42/n :2": 362, "P4_2/n:2": 362, "P42/n": 362, "P4_2/n :2": 362, "P42/n :2": 362, - "-P 4bc :2": 362, - "-P4bc:2": 362, + "-P 4bc": 362, + "-P4bc": 362, "I 4/m": 363, "I4/m": 363, "-I 4": 363, "-I4": 363, + "I 4_1/a": 365, + "I 41/a": 365, + "I4_1/a": 365, "I 4_1/a :1": 364, "I 41/a :1": 364, "I4_1/a:1": 364, "I4_1/a :1": 364, "I41/a :1": 364, - "I 4bw -1bw :1": 364, - "I4bw-1bw:1": 364, - "I 4_1/a": 365, - "I 41/a": 365, - "I4_1/a": 365, + "I 4bw -1bw": 364, + "I4bw-1bw": 364, "I 4_1/a :2": 365, "I 41/a :2": 365, "I4_1/a:2": 365, "I41/a": 365, "I4_1/a :2": 365, "I41/a :2": 365, - "-I 4ad :2": 365, - "-I4ad:2": 365, + "-I 4ad": 365, + "-I4ad": 365, "P 4 2 2": 366, "P422": 366, "P 4 2": 366, @@ -2730,42 +2803,34 @@ "P4/mcc": 401, "-P 4 2c": 401, "-P42c": 401, - "P 4/n 2/b 2/m :1": 402, - "P4/n2/b2/m:1": 402, + "P 4/n 2/b 2/m": 403, + "P4/n2/b2/m": 403, "P 4/n b m :1": 402, "P4/nbm:1": 402, "P4/nbm :1": 402, - "P 4 2 -1ab :1": 402, - "P42-1ab:1": 402, - "P 4/n 2/b 2/m": 403, - "P4/n2/b2/m": 403, - "P 4/n 2/b 2/m :2": 403, - "P4/n2/b2/m:2": 403, + "P 4 2 -1ab": 402, + "P42-1ab": 402, "P 4/n b m": 403, "P4/nbm": 403, "P 4/n b m :2": 403, "P4/nbm:2": 403, "P4/nbm :2": 403, - "-P 4a 2b :2": 403, - "-P4a2b:2": 403, - "P 4/n 2/n 2/c :1": 404, - "P4/n2/n2/c:1": 404, + "-P 4a 2b": 403, + "-P4a2b": 403, + "P 4/n 2/n 2/c": 405, + "P4/n2/n2/c": 405, "P 4/n n c :1": 404, "P4/nnc:1": 404, "P4/nnc :1": 404, - "P 4 2 -1n :1": 404, - "P42-1n:1": 404, - "P 4/n 2/n 2/c": 405, - "P4/n2/n2/c": 405, - "P 4/n 2/n 2/c :2": 405, - "P4/n2/n2/c:2": 405, + "P 4 2 -1n": 404, + "P42-1n": 404, "P 4/n n c": 405, "P4/nnc": 405, "P 4/n n c :2": 405, "P4/nnc:2": 405, "P4/nnc :2": 405, - "-P 4a 2bc :2": 405, - "-P4a2bc:2": 405, + "-P 4a 2bc": 405, + "-P4a2bc": 405, "P 4/m 2_1/b m": 406, "P 4/m 21/b m": 406, "P4/m2_1/bm": 406, @@ -2780,48 +2845,36 @@ "P4/mnc": 407, "-P 4 2n": 407, "-P42n": 407, - "P 4/n 2_1/m m :1": 408, - "P 4/n 21/m m :1": 408, - "P4/n2_1/mm:1": 408, - "P 4/n m m :1": 408, - "P4/nmm:1": 408, - "P4/nmm :1": 408, - "P 4ab 2ab -1ab :1": 408, - "P4ab2ab-1ab:1": 408, "P 4/n 2_1/m m": 409, "P 4/n 21/m m": 409, "P4/n2_1/mm": 409, - "P 4/n 2_1/m m :2": 409, - "P 4/n 21/m m :2": 409, - "P4/n2_1/mm:2": 409, + "P 4/n m m :1": 408, + "P4/nmm:1": 408, + "P4/nmm :1": 408, + "P 4ab 2ab -1ab": 408, + "P4ab2ab-1ab": 408, "P 4/n m m": 409, "P4/nmm": 409, "P 4/n m m :2": 409, "P4/nmm:2": 409, "P4/nmm :2": 409, - "-P 4a 2a :2": 409, - "-P4a2a:2": 409, - "P 4/n 2_1/c c :1": 410, - "P 4/n 21/c c :1": 410, - "P4/n2_1/cc:1": 410, - "P 4/n c c :1": 410, - "P4/ncc:1": 410, - "P4/ncc :1": 410, - "P 4ab 2n -1ab :1": 410, - "P4ab2n-1ab:1": 410, + "-P 4a 2a": 409, + "-P4a2a": 409, "P 4/n 2_1/c c": 411, "P 4/n 21/c c": 411, "P4/n2_1/cc": 411, - "P 4/n 2_1/c c :2": 411, - "P 4/n 21/c c :2": 411, - "P4/n2_1/cc:2": 411, + "P 4/n c c :1": 410, + "P4/ncc:1": 410, + "P4/ncc :1": 410, + "P 4ab 2n -1ab": 410, + "P4ab2n-1ab": 410, "P 4/n c c": 411, "P4/ncc": 411, "P 4/n c c :2": 411, "P4/ncc:2": 411, "P4/ncc :2": 411, - "-P 4a 2ac :2": 411, - "-P4a2ac:2": 411, + "-P 4a 2ac": 411, + "-P4a2ac": 411, "P 4_2/m 2/m 2/c": 412, "P 42/m 2/m 2/c": 412, "P4_2/m2/m2/c": 412, @@ -2840,22 +2893,16 @@ "P42/mcm": 413, "-P 4c 2c": 413, "-P4c2c": 413, - "P 4_2/n 2/b 2/c :1": 414, - "P 42/n 2/b 2/c :1": 414, - "P4_2/n2/b2/c:1": 414, + "P 4_2/n 2/b 2/c": 415, + "P 42/n 2/b 2/c": 415, + "P4_2/n2/b2/c": 415, "P 4_2/n b c :1": 414, "P 42/n b c :1": 414, "P4_2/nbc:1": 414, "P4_2/nbc :1": 414, "P42/nbc :1": 414, - "P 4n 2c -1n :1": 414, - "P4n2c-1n:1": 414, - "P 4_2/n 2/b 2/c": 415, - "P 42/n 2/b 2/c": 415, - "P4_2/n2/b2/c": 415, - "P 4_2/n 2/b 2/c :2": 415, - "P 42/n 2/b 2/c :2": 415, - "P4_2/n2/b2/c:2": 415, + "P 4n 2c -1n": 414, + "P4n2c-1n": 414, "P 4_2/n b c": 415, "P 42/n b c": 415, "P4_2/nbc": 415, @@ -2865,24 +2912,18 @@ "P42/nbc": 415, "P4_2/nbc :2": 415, "P42/nbc :2": 415, - "-P 4ac 2b :2": 415, - "-P4ac2b:2": 415, - "P 4_2/n 2/n 2/m :1": 416, - "P 42/n 2/n 2/m :1": 416, - "P4_2/n2/n2/m:1": 416, + "-P 4ac 2b": 415, + "-P4ac2b": 415, + "P 4_2/n 2/n 2/m": 417, + "P 42/n 2/n 2/m": 417, + "P4_2/n2/n2/m": 417, "P 4_2/n n m :1": 416, "P 42/n n m :1": 416, "P4_2/nnm:1": 416, "P4_2/nnm :1": 416, "P42/nnm :1": 416, - "P 4n 2 -1n :1": 416, - "P4n2-1n:1": 416, - "P 4_2/n 2/n 2/m": 417, - "P 42/n 2/n 2/m": 417, - "P4_2/n2/n2/m": 417, - "P 4_2/n 2/n 2/m :2": 417, - "P 42/n 2/n 2/m :2": 417, - "P4_2/n2/n2/m:2": 417, + "P 4n 2 -1n": 416, + "P4n2-1n": 416, "P 4_2/n n m": 417, "P 42/n n m": 417, "P4_2/nnm": 417, @@ -2892,8 +2933,8 @@ "P42/nnm": 417, "P4_2/nnm :2": 417, "P42/nnm :2": 417, - "-P 4ac 2bc :2": 417, - "-P4ac2bc:2": 417, + "-P 4ac 2bc": 417, + "-P4ac2bc": 417, "P 4_2/m 2_1/b 2/c": 418, "P 42/m 21/b 2/c": 418, "P4_2/m2_1/b2/c": 418, @@ -2912,22 +2953,16 @@ "P42/mnm": 419, "-P 4n 2n": 419, "-P4n2n": 419, - "P 4_2/n 2_1/m 2/c :1": 420, - "P 42/n 21/m 2/c :1": 420, - "P4_2/n2_1/m2/c:1": 420, + "P 4_2/n 2_1/m 2/c": 421, + "P 42/n 21/m 2/c": 421, + "P4_2/n2_1/m2/c": 421, "P 4_2/n m c :1": 420, "P 42/n m c :1": 420, "P4_2/nmc:1": 420, "P4_2/nmc :1": 420, "P42/nmc :1": 420, - "P 4n 2n -1n :1": 420, - "P4n2n-1n:1": 420, - "P 4_2/n 2_1/m 2/c": 421, - "P 42/n 21/m 2/c": 421, - "P4_2/n2_1/m2/c": 421, - "P 4_2/n 2_1/m 2/c :2": 421, - "P 42/n 21/m 2/c :2": 421, - "P4_2/n2_1/m2/c:2": 421, + "P 4n 2n -1n": 420, + "P4n2n-1n": 420, "P 4_2/n m c": 421, "P 42/n m c": 421, "P4_2/nmc": 421, @@ -2937,24 +2972,18 @@ "P42/nmc": 421, "P4_2/nmc :2": 421, "P42/nmc :2": 421, - "-P 4ac 2a :2": 421, - "-P4ac2a:2": 421, - "P 4_2/n 2_1/c 2/m :1": 422, - "P 42/n 21/c 2/m :1": 422, - "P4_2/n2_1/c2/m:1": 422, + "-P 4ac 2a": 421, + "-P4ac2a": 421, + "P 4_2/n 2_1/c 2/m": 423, + "P 42/n 21/c 2/m": 423, + "P4_2/n2_1/c2/m": 423, "P 4_2/n c m :1": 422, "P 42/n c m :1": 422, "P4_2/ncm:1": 422, "P4_2/ncm :1": 422, "P42/ncm :1": 422, - "P 4n 2ab -1n :1": 422, - "P4n2ab-1n:1": 422, - "P 4_2/n 2_1/c 2/m": 423, - "P 42/n 21/c 2/m": 423, - "P4_2/n2_1/c2/m": 423, - "P 4_2/n 2_1/c 2/m :2": 423, - "P 42/n 21/c 2/m :2": 423, - "P4_2/n2_1/c2/m:2": 423, + "P 4n 2ab -1n": 422, + "P4n2ab-1n": 422, "P 4_2/n c m": 423, "P 42/n c m": 423, "P4_2/ncm": 423, @@ -2964,8 +2993,8 @@ "P42/ncm": 423, "P4_2/ncm :2": 423, "P42/ncm :2": 423, - "-P 4ac 2ac :2": 423, - "-P4ac2ac:2": 423, + "-P 4ac 2ac": 423, + "-P4ac2ac": 423, "I 4/m 2/m 2/m": 424, "I4/m2/m2/m": 424, "I 4/m m m": 424, @@ -2978,22 +3007,16 @@ "I4/mcm": 425, "-I 4 2c": 425, "-I42c": 425, - "I 4_1/a 2/m 2/d :1": 426, - "I 41/a 2/m 2/d :1": 426, - "I4_1/a2/m2/d:1": 426, + "I 4_1/a 2/m 2/d": 427, + "I 41/a 2/m 2/d": 427, + "I4_1/a2/m2/d": 427, "I 4_1/a m d :1": 426, "I 41/a m d :1": 426, "I4_1/amd:1": 426, "I4_1/amd :1": 426, "I41/amd :1": 426, - "I 4bw 2bw -1bw :1": 426, - "I4bw2bw-1bw:1": 426, - "I 4_1/a 2/m 2/d": 427, - "I 41/a 2/m 2/d": 427, - "I4_1/a2/m2/d": 427, - "I 4_1/a 2/m 2/d :2": 427, - "I 41/a 2/m 2/d :2": 427, - "I4_1/a2/m2/d:2": 427, + "I 4bw 2bw -1bw": 426, + "I4bw2bw-1bw": 426, "I 4_1/a m d": 427, "I 41/a m d": 427, "I4_1/amd": 427, @@ -3003,24 +3026,18 @@ "I41/amd": 427, "I4_1/amd :2": 427, "I41/amd :2": 427, - "-I 4bd 2 :2": 427, - "-I4bd2:2": 427, - "I 4_1/a 2/c 2/d :1": 428, - "I 41/a 2/c 2/d :1": 428, - "I4_1/a2/c2/d:1": 428, + "-I 4bd 2": 427, + "-I4bd2": 427, + "I 4_1/a 2/c 2/d": 429, + "I 41/a 2/c 2/d": 429, + "I4_1/a2/c2/d": 429, "I 4_1/a c d :1": 428, "I 41/a c d :1": 428, "I4_1/acd:1": 428, "I4_1/acd :1": 428, "I41/acd :1": 428, - "I 4bw 2aw -1bw :1": 428, - "I4bw2aw-1bw:1": 428, - "I 4_1/a 2/c 2/d": 429, - "I 41/a 2/c 2/d": 429, - "I4_1/a2/c2/d": 429, - "I 4_1/a 2/c 2/d :2": 429, - "I 41/a 2/c 2/d :2": 429, - "I4_1/a2/c2/d:2": 429, + "I 4bw 2aw -1bw": 428, + "I4bw2aw-1bw": 428, "I 4_1/a c d": 429, "I 41/a c d": 429, "I4_1/acd": 429, @@ -3030,8 +3047,8 @@ "I41/acd": 429, "I4_1/acd :2": 429, "I41/acd :2": 429, - "-I 4bd 2c :2": 429, - "-I4bd2c:2": 429, + "-I 4bd 2c": 429, + "-I4bd2c": 429, "P 3": 430, "P3": 430, "P 3_1": 431, @@ -3042,34 +3059,32 @@ "P 32": 432, "P3_2": 432, "P32": 438, + "R 3": 434, + "R3": 434, "R 3 :H": 433, - "R 3": 433, "R3:H": 433, - "R3": 433, "R3 :H": 433, "R 3 :R": 434, "R3:R": 434, "R3 :R": 434, - "P 3* :R": 434, - "P3*:R": 434, + "P 3*": 434, + "P3*": 434, "P -3": 435, "P-3": 435, "-P 3": 435, "-P3": 435, + "R -3": 437, + "R-3": 437, "R -3 :H": 436, - "R -3": 436, "R-3:H": 436, - "R-3": 436, "R-3 :H": 436, - "-R 3 :H": 436, "-R 3": 436, - "-R3:H": 436, "-R3": 436, "R -3 :R": 437, "R-3:R": 437, "R-3 :R": 437, - "-P 3* :R": 437, - "-P3*:R": 437, + "-P 3*": 437, + "-P3*": 437, "P 3 1 2": 438, "P312": 438, "P 3 2": 438, @@ -3081,8 +3096,8 @@ "P 31 1 2": 440, "P3_112": 440, "P3112": 440, - "P 31 2c (0 0 1)": 440, - "P312c(001)": 440, + "P 31 2 (0 0 4)": 440, + "P312(004)": 440, "P 3_1 2 1": 441, "P 31 2 1": 441, "P3_121": 441, @@ -3093,28 +3108,26 @@ "P 32 1 2": 442, "P3_212": 442, "P3212": 442, - "P 32 2c (0 0 -1)": 442, - "P322c(00-1)": 442, + "P 32 2 (0 0 2)": 442, + "P322(002)": 442, "P 3_2 2 1": 443, "P 32 2 1": 443, "P3_221": 443, "P3221": 443, "P 32 2\"": 443, "P322\"": 443, + "R 3 2": 445, + "R32": 445, "R 3 2 :H": 444, - "R 3 2": 444, "R32:H": 444, - "R32": 444, "R32 :H": 444, - "R 3 2\" :H": 444, "R 3 2\"": 444, - "R32\":H": 444, "R32\"": 444, "R 3 2 :R": 445, "R32:R": 445, "R32 :R": 445, - "P 3* 2 :R": 445, - "P3*2:R": 445, + "P 3* 2": 445, + "P3*2": 445, "P 3 m 1": 446, "P3m1": 446, "P 3 -2\"": 446, @@ -3131,34 +3144,30 @@ "P31c": 449, "P 3 -2c": 449, "P3-2c": 449, + "R 3 m": 451, + "R3m": 451, "R 3 m :H": 450, - "R 3 m": 450, "R3m:H": 450, - "R3m": 450, "R3m :H": 450, - "R 3 -2\" :H": 450, "R 3 -2\"": 450, - "R3-2\":H": 450, "R3-2\"": 450, "R 3 m :R": 451, "R3m:R": 451, "R3m :R": 451, - "P 3* -2 :R": 451, - "P3*-2:R": 451, + "P 3* -2": 451, + "P3*-2": 451, + "R 3 c": 453, + "R3c": 453, "R 3 c :H": 452, - "R 3 c": 452, "R3c:H": 452, - "R3c": 452, "R3c :H": 452, - "R 3 -2\"c :H": 452, "R 3 -2\"c": 452, - "R3-2\"c:H": 452, "R3-2\"c": 452, "R 3 c :R": 453, "R3c:R": 453, "R3c :R": 453, - "P 3* -2n :R": 453, - "P3*-2n:R": 453, + "P 3* -2n": 453, + "P3*-2n": 453, "P -3 1 2/m": 454, "P-312/m": 454, "P -3 1 m": 454, @@ -3183,46 +3192,34 @@ "P-3c1": 457, "-P 3 2\"c": 457, "-P32\"c": 457, - "R -3 2/m :H": 458, - "R -3 2/m": 458, - "R-32/m:H": 458, - "R-32/m": 458, - "R -3 m :H": 458, + "R -3 2/m": 459, + "R-32/m": 459, "R -3 m": 458, - "R-3m:H": 458, "R-3m": 458, + "R -3 m :H": 458, + "R-3m:H": 458, "R-3m :H": 458, - "-R 3 2\" :H": 458, "-R 3 2\"": 458, - "-R32\":H": 458, "-R32\"": 458, - "R -3 2/m :R": 459, - "R-32/m:R": 459, "R -3 m :R": 459, "R-3m:R": 459, "R-3m :R": 459, - "-P 3* 2 :R": 459, - "-P3*2:R": 459, - "R -3 2/c :H": 460, - "R -3 2/c": 460, - "R-32/c:H": 460, - "R-32/c": 460, - "R -3 c :H": 460, + "-P 3* 2": 459, + "-P3*2": 459, + "R -3 2/c": 461, + "R-32/c": 461, "R -3 c": 460, - "R-3c:H": 460, "R-3c": 460, + "R -3 c :H": 460, + "R-3c:H": 460, "R-3c :H": 460, - "-R 3 2\"c :H": 460, "-R 3 2\"c": 460, - "-R32\"c:H": 460, "-R32\"c": 460, - "R -3 2/c :R": 461, - "R-32/c:R": 461, "R -3 c :R": 461, "R-3c:R": 461, "R-3c :R": 461, - "-P 3* 2n :R": 461, - "-P3*2n:R": 461, + "-P 3* 2n": 461, + "-P3*2n": 461, "P 6": 462, "P6": 462, "P 6_1": 463, @@ -3266,8 +3263,8 @@ "P 61 2 2": 472, "P6_122": 472, "P6122": 472, - "P 61 2 (0 0 -1)": 472, - "P612(00-1)": 472, + "P 61 2 (0 0 5)": 472, + "P612(005)": 472, "P 6_5 2 2": 473, "P 65 2 2": 473, "P6_522": 473, @@ -3278,14 +3275,14 @@ "P 62 2 2": 474, "P6_222": 474, "P6222": 474, - "P 62 2c (0 0 1)": 474, - "P622c(001)": 474, + "P 62 2 (0 0 4)": 474, + "P622(004)": 474, "P 6_4 2 2": 475, "P 64 2 2": 475, "P6_422": 475, "P6422": 475, - "P 64 2c (0 0 -1)": 475, - "P642c(00-1)": 475, + "P 64 2 (0 0 2)": 475, + "P642(002)": 475, "P 6_3 2 2": 476, "P 63 2 2": 476, "P6_322": 476, @@ -3387,48 +3384,40 @@ "Pm-3": 494, "-P 2 2 3": 494, "-P223": 494, - "P 2/n -3 :1": 495, - "P2/n-3:1": 495, + "P 2/n -3": 496, + "P2/n-3": 496, "P n -3 :1": 495, "Pn-3:1": 495, "Pn-3 :1": 495, - "P 2 2 3 -1n :1": 495, - "P223-1n:1": 495, - "P 2/n -3": 496, - "P2/n-3": 496, - "P 2/n -3 :2": 496, - "P2/n-3:2": 496, + "P 2 2 3 -1n": 495, + "P223-1n": 495, "P n -3": 496, "Pn-3": 496, "P n -3 :2": 496, "Pn-3:2": 496, "Pn-3 :2": 496, - "-P 2ab 2bc 3 :2": 496, - "-P2ab2bc3:2": 496, + "-P 2ab 2bc 3": 496, + "-P2ab2bc3": 496, "F 2/m -3": 497, "F2/m-3": 497, "F m -3": 497, "Fm-3": 497, "-F 2 2 3": 497, "-F223": 497, - "F 2/d -3 :1": 498, - "F2/d-3:1": 498, + "F 2/d -3": 499, + "F2/d-3": 499, "F d -3 :1": 498, "Fd-3:1": 498, "Fd-3 :1": 498, - "F 2 2 3 -1d :1": 498, - "F223-1d:1": 498, - "F 2/d -3": 499, - "F2/d-3": 499, - "F 2/d -3 :2": 499, - "F2/d-3:2": 499, + "F 2 2 3 -1d": 498, + "F223-1d": 498, "F d -3": 499, "Fd-3": 499, "F d -3 :2": 499, "Fd-3:2": 499, "Fd-3 :2": 499, - "-F 2uv 2vw 3 :2": 499, - "-F2uv2vw3:2": 499, + "-F 2uv 2vw 3": 499, + "-F2uv2vw3": 499, "I 2/m -3": 500, "I2/m-3": 500, "I m -3": 500, @@ -3509,8 +3498,8 @@ "P-4n23": 514, "F -4 3 c": 515, "F-43c": 515, - "F -4c 2 3": 515, - "F-4c23": 515, + "F -4a 2 3": 515, + "F-4a23": 515, "I -4 3 d": 516, "I-43d": 516, "I -4bd 2c 3": 516, @@ -3521,24 +3510,20 @@ "Pm-3m": 517, "-P 4 2 3": 517, "-P423": 517, - "P 4/n -3 2/n :1": 518, - "P4/n-32/n:1": 518, + "P 4/n -3 2/n": 519, + "P4/n-32/n": 519, "P n -3 n :1": 518, "Pn-3n:1": 518, "Pn-3n :1": 518, - "P 4 2 3 -1n :1": 518, - "P423-1n:1": 518, - "P 4/n -3 2/n": 519, - "P4/n-32/n": 519, - "P 4/n -3 2/n :2": 519, - "P4/n-32/n:2": 519, + "P 4 2 3 -1n": 518, + "P423-1n": 518, "P n -3 n": 519, "Pn-3n": 519, "P n -3 n :2": 519, "Pn-3n:2": 519, "Pn-3n :2": 519, - "-P 4a 2bc 3 :2": 519, - "-P4a2bc3:2": 519, + "-P 4a 2bc 3": 519, + "-P4a2bc3": 519, "P 4_2/m -3 2/n": 520, "P 42/m -3 2/n": 520, "P4_2/m-32/n": 520, @@ -3546,27 +3531,21 @@ "Pm-3n": 520, "-P 4n 2 3": 520, "-P4n23": 520, - "P 4_2/n -3 2/m :1": 521, - "P 42/n -3 2/m :1": 521, - "P4_2/n-32/m:1": 521, - "P n -3 m :1": 521, - "Pn-3m:1": 521, - "Pn-3m :1": 521, - "P 4n 2 3 -1n :1": 521, - "P4n23-1n:1": 521, "P 4_2/n -3 2/m": 522, "P 42/n -3 2/m": 522, "P4_2/n-32/m": 522, - "P 4_2/n -3 2/m :2": 522, - "P 42/n -3 2/m :2": 522, - "P4_2/n-32/m:2": 522, + "P n -3 m :1": 521, + "Pn-3m:1": 521, + "Pn-3m :1": 521, + "P 4n 2 3 -1n": 521, + "P4n23-1n": 521, "P n -3 m": 522, "Pn-3m": 522, "P n -3 m :2": 522, "Pn-3m:2": 522, "Pn-3m :2": 522, - "-P 4bc 2bc 3 :2": 522, - "-P4bc2bc3:2": 522, + "-P 4bc 2bc 3": 522, + "-P4bc2bc3": 522, "F 4/m -3 2/m": 523, "F4/m-32/m": 523, "F m -3 m": 523, @@ -3577,50 +3556,38 @@ "F4/m-32/c": 524, "F m -3 c": 524, "Fm-3c": 524, - "-F 4c 2 3": 524, - "-F4c23": 524, - "F 4_1/d -3 2/m :1": 525, - "F 41/d -3 2/m :1": 525, - "F4_1/d-32/m:1": 525, - "F d -3 m :1": 525, - "Fd-3m:1": 525, - "Fd-3m :1": 525, - "F 4d 2 3 -1d :1": 525, - "F4d23-1d:1": 525, + "-F 4a 2 3": 524, + "-F4a23": 524, "F 4_1/d -3 2/m": 526, "F 41/d -3 2/m": 526, "F4_1/d-32/m": 526, - "F 4_1/d -3 2/m :2": 526, - "F 41/d -3 2/m :2": 526, - "F4_1/d-32/m:2": 526, + "F d -3 m :1": 525, + "Fd-3m:1": 525, + "Fd-3m :1": 525, + "F 4d 2 3 -1d": 525, + "F4d23-1d": 525, "F d -3 m": 526, "Fd-3m": 526, "F d -3 m :2": 526, "Fd-3m:2": 526, "Fd-3m :2": 526, - "-F 4vw 2vw 3 :2": 526, - "-F4vw2vw3:2": 526, - "F 4_1/d -3 2/c :1": 527, - "F 41/d -3 2/c :1": 527, - "F4_1/d-32/c:1": 527, - "F d -3 c :1": 527, - "Fd-3c:1": 527, - "Fd-3c :1": 527, - "F 4d 2 3 -1cd :1": 527, - "F4d23-1cd:1": 527, + "-F 4vw 2vw 3": 526, + "-F4vw2vw3": 526, "F 4_1/d -3 2/c": 528, "F 41/d -3 2/c": 528, "F4_1/d-32/c": 528, - "F 4_1/d -3 2/c :2": 528, - "F 41/d -3 2/c :2": 528, - "F4_1/d-32/c:2": 528, + "F d -3 c :1": 527, + "Fd-3c:1": 527, + "Fd-3c :1": 527, + "F 4d 2 3 -1ad": 527, + "F4d23-1ad": 527, "F d -3 c": 528, "Fd-3c": 528, "F d -3 c :2": 528, "Fd-3c:2": 528, "Fd-3c :2": 528, - "-F 4cvw 2vw 3 :2": 528, - "-F4cvw2vw3:2": 528, + "-F 4ud 2vw 3": 528, + "-F4ud2vw3": 528, "I 4/m -3 2/m": 529, "I4/m-32/m": 529, "I m -3 m": 529, diff --git a/tests/test_cif.py b/tests/test_cif.py index 28d9463..9570468 100644 --- a/tests/test_cif.py +++ b/tests/test_cif.py @@ -420,7 +420,7 @@ def test_benzene_to_cif(benzene): correct = """\ # Generated by MolSSI SEAMM data_SEAMM:default/default -_space_group_name_H-M_alt 'P b c a' +_space_group_name_H-M_full 'P 2_1/b 2_1/c 2_1/a' _symmetry_space_group_name_Hall '-P 2ac 2ab' _space_group_IT_number 61 _cell_length_a 6.914 From d12efcbf72cb7286b98dc2d9060166175a2a68ab Mon Sep 17 00:00:00 2001 From: Paul Saxe Date: Wed, 13 Mar 2024 15:03:13 -0400 Subject: [PATCH 3/4] Ensuring that symmetry operators are lower case strings. --- molsystem/symmetry.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/molsystem/symmetry.py b/molsystem/symmetry.py index 6ef5074..311756b 100644 --- a/molsystem/symmetry.py +++ b/molsystem/symmetry.py @@ -296,8 +296,10 @@ def symops(self, ops): text = "" else: text = " | ".join(ops) - - self.db.execute("UPDATE symmetry SET symops = ? WHERE id = ?", (text, self.id)) + # Ensure the lower case letters are used! x, y, z not X, Y, Z + self.db.execute( + "UPDATE symmetry SET symops = ? WHERE id = ?", (text.lower(), self.id) + ) # Unset the group self.db.execute('UPDATE symmetry SET "group" = "" WHERE id = ?', (self.id,)) self.db.commit() From 3cb2b702b7d3d11258bd6a7dc5484a3424033c39 Mon Sep 17 00:00:00 2001 From: Paul Saxe Date: Wed, 13 Mar 2024 15:06:21 -0400 Subject: [PATCH 4/4] Ensuring that symmetry operators are lower case strings. --- HISTORY.rst | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/HISTORY.rst b/HISTORY.rst index 860a2aa..6b181c2 100644 --- a/HISTORY.rst +++ b/HISTORY.rst @@ -1,6 +1,10 @@ ======= History ======= +2024.3.13 -- Handle uppercase X, Y, Z in strings for symmetry operators + * the Crystallographic Open Database CIF files seems to use upper case X, Y, Z in + explicit symmetry operators. These need to be lowercased in the code. + 2023.12.5 -- Bugfixes for symmetry * Fixed issue #72, where symmetry was not correctly handled for trigonal and hexagonal cells where atoms had coordinates of 1/3 or 2/3.