data_[Cs8Ca4Cd4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.4657]
_cell_length_b [18.2481]
_cell_length_c [7.6326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs2CaCdBi2]
_chemical_formula_sum '[Cs8 Ca4 Cd4 Bi8]'
_cell_volume [1039.8342]
_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  0.2368  0.3255  0.5000  1
  Ca  Ca1  4  0.0000  0.0000  0.2500  1
  Cd  Cd2  4  0.0000  0.5000  0.2500  1
  Bi  Bi3  8  0.2375  0.4052  0.0000  1
]