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orcc_1003.cif
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orcc_1003.cif
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#\#CIF1.1
##########################################################################
# Crystallographic Information Format file
# Produced by PyCifRW module
#
# This is a CIF file. CIF has been adopted by the International
# Union of Crystallography as the standard for data archiving and
# transmission.
#
# For information on this file format, follow the CIF links at
# http://www.iucr.org
##########################################################################
data_TbGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99648651
_cell_length_b 4.14300334938
_cell_length_c 15.854897099
_cell_angle_alpha 97.507371351
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_chemical_name_systematic 'Generated by pymatgen'
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbGe2
_chemical_formula_sum 'Tb4 Ge8'
_cell_volume 260.266498949
_cell_formula_units_Z 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Ge Ge1 1 0.500000 0.904800 0.809600 0 . 1
Ge Ge2 1 0.500000 0.095200 0.190400 0 . 1
Ge Ge3 1 0.000000 0.772482 0.544964 0 . 1
Ge Ge4 1 0.000000 0.227518 0.455036 0 . 1
Ge Ge5 1 0.000000 0.000000 0.000000 0 . 1
Ge Ge6 1 0.500000 0.500000 0.000000 0 . 1
Ge Ge7 1 0.000000 0.147127 0.294254 0 . 1
Ge Ge8 1 0.000000 0.852873 0.705746 0 . 1
Tb Tb9 1 0.500000 0.687170 0.374340 0 . 1
Tb Tb10 1 0.500000 0.312830 0.625660 0 . 1
Tb Tb11 1 0.000000 0.570695 0.141390 0 . 1
Tb Tb12 1 0.000000 0.429305 0.858610 0 . 1