data_[Cs8Bi4S12]
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 [C2/c]
_cell_length_a [13.5305]
_cell_length_b [9.2437]
_cell_length_c [7.2252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2BiS3]
_chemical_formula_sum '[Cs8 Bi4 S12]'
_cell_volume [902.6905]
_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  8  0.1563  0.3406  0.2282  1.0
  Bi  Bi1  4  0.0000  0.0785  0.7500  1.0
  S  S2  8  0.1416  0.0086  0.5048  1.0
  S  S3  4  0.0000  0.3493  0.7500  1.0
]