data_[Cs8Ce4Bi4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4496]
_cell_length_b [19.9571]
_cell_length_c [14.7316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2CeBiS5]
_chemical_formula_sum '[Cs8 Ce4 Bi4 S20]'
_cell_volume [1308.1683]
_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  0.1197  0.6761  1
  Cs  Cs1  4  0.0000  0.1373  0.3197  1
  Ce  Ce2  4  0.0000  0.2080  0.0285  1
  Bi  Bi3  4  0.0000  0.4423  0.4377  1
  S  S4  4  0.0000  0.0564  0.0352  1
  S  S5  4  0.0000  0.2998  0.6357  1
  S  S6  4  0.0000  0.3166  0.3990  1
  S  S7  4  0.0000  0.3313  0.0020  1
  S  S8  4  0.0000  0.4983  0.2902  1
]