data_[Cr2Bi2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6427]
_cell_length_b [3.7184]
_cell_length_c [9.6452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CrBiS3]
_chemical_formula_sum '[Cr2 Bi2 S6]'
_cell_volume [238.2094]
_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_occupancy
[
  Cr  Cr0  2  0.0747  0.7500  0.1599  1
  Bi  Bi1  2  0.4196  0.7500  0.8109  1
  S  S2  2  0.0531  0.7500  0.7010  1
  S  S3  2  0.1978  0.2500  0.0125  1
  S  S4  2  0.3748  0.7500  0.3207  1
]