data_[Cs2Bi2S4]
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 [Cm]
_cell_length_a [15.7039]
_cell_length_b [4.1487]
_cell_length_c [4.0977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsBiS2]
_chemical_formula_sum '[Cs2 Bi2 S4]'
_cell_volume [265.5628]
_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
[
  Cs  Cs0  2  0.0038  0.0000  0.3455  1.0
  Bi  Bi1  2  0.2508  0.0000  0.1506  1.0
  S  S2  2  0.1595  0.5000  0.8601  1.0
  S  S3  2  0.3712  0.0000  0.7820  1.0
]