data_[Cs4Cu8Bi4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.1762]
_cell_length_b [15.0078]
_cell_length_c [7.8953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsCu2BiI6]
_chemical_formula_sum '[Cs4 Cu8 Bi4 I24]'
_cell_volume [1672.6344]
_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  0.0841  0.7500  1.0
  Cu  Cu1  8  0.1719  0.4230  0.7924  1.0
  Bi  Bi2  4  0.0000  0.2868  0.2500  1.0
  I  I3  8  0.1167  0.2896  0.5999  1.0
  I  I4  8  0.1378  0.1305  0.1706  1.0
  I  I5  8  0.1459  0.4293  0.1162  1.0
]