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 [C2/c]
_cell_length_a [9.4478]
_cell_length_b [10.6968]
_cell_length_c [7.3003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsBiS2]
_chemical_formula_sum '[Cs4 Bi4 S8]'
_cell_volume [637.0100]
_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  0.0000  0.1403  0.7500  1.0
  Bi  Bi1  4  0.0000  0.4339  0.2500  1.0
  S  S2  8  0.1943  0.4190  0.7056  1.0
]