data_[Cs12Cd20Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.8274]
_cell_length_b [16.9628]
_cell_length_c [7.7717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs3Cd5Bi2]
_chemical_formula_sum '[Cs12 Cd20 Bi8]'
_cell_volume [1559.2178]
_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  0.2372  0.3750  0.5000  1.0
  Cs  Cs1  4  0.0000  0.0000  0.2500  1.0
  Cd  Cd2  8  0.0000  0.2485  0.2500  1.0
  Cd  Cd3  8  0.0950  0.3731  0.0000  1.0
  Cd  Cd4  4  0.0000  0.5000  0.2500  1.0
  Bi  Bi5  8  0.1514  0.1590  0.5000  1.0
]