data_[Cs12Zn8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [7.4732]
_cell_length_b [10.3379]
_cell_length_c [15.3200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Cs3(ZnBi)2]
_chemical_formula_sum '[Cs12 Zn8 Bi8]'
_cell_volume [1183.5768]
_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  0.3881  0.1285  0.1052  1
  Cs  Cs1  4  0.1918  0.7126  0.7500  1
  Zn  Zn2  8  0.0979  0.0189  0.5816  1
  Bi  Bi3  4  0.0929  0.7500  0.0000  1
  Bi  Bi4  4  0.2689  0.0697  0.7500  1
]