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bcc_1927.cif
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bcc_1927.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_Dy4Sb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.96572510279
_cell_length_b 7.96572510407
_cell_length_c 7.9657251
_cell_angle_alpha 109.471220624
_cell_angle_beta 109.471220627
_cell_angle_gamma 109.471220674
_chemical_name_systematic 'Generated by pymatgen'
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy4Sb3
_chemical_formula_sum 'Dy8 Sb6'
_cell_volume 389.093569675
_cell_formula_units_Z 2
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
Sb Sb1 1 0.250000 0.625000 0.375000 0 . 1
Sb Sb2 1 0.375000 0.250000 0.625000 0 . 1
Sb Sb3 1 0.125000 0.750000 0.875000 0 . 1
Sb Sb4 1 0.875000 0.125000 0.750000 0 . 1
Sb Sb5 1 0.625000 0.375000 0.250000 0 . 1
Sb Sb6 1 0.750000 0.875000 0.125000 0 . 1
Dy Dy7 1 0.144484 0.144484 0.144484 0 . 1
Dy Dy8 1 0.855516 0.500000 0.000000 0 . 1
Dy Dy9 1 0.000000 0.855516 0.500000 0 . 1
Dy Dy10 1 0.500000 0.000000 0.855516 0 . 1
Dy Dy11 1 0.000000 0.355516 0.500000 0 . 1
Dy Dy12 1 0.500000 0.000000 0.355516 0 . 1
Dy Dy13 1 0.355516 0.500000 0.000000 0 . 1
Dy Dy14 1 0.644484 0.644484 0.644484 0 . 1