data_[Cs4Bi4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1927]
_cell_length_b [9.5948]
_cell_length_c [7.5169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsBiS2]
_chemical_formula_sum '[Cs4 Bi4 S8]'
_cell_volume [575.0648]
_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_occupancy
[
  Cs  Cs0  4  0.1325  0.5685  0.7890  1.0
  Bi  Bi1  4  0.4111  0.1664  0.8627  1.0
  S  S2  4  0.1927  0.2456  0.0398  1.0
  S  S3  4  0.3296  0.5913  0.3062  1.0
]