data_[K12Cd4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6809]
_cell_length_b [5.5291]
_cell_length_c [16.7592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3CdBi3]
_chemical_formula_sum '[K12 Cd4 Bi12]'
_cell_volume [1093.9334]
_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
[
  K  K0  4  0.0266  0.5000  0.3745  1
  K  K1  4  0.0906  0.5000  0.9200  1
  K  K2  4  0.2443  0.5000  0.2260  1
  Cd  Cd3  4  0.2428  0.0000  0.3951  1
  Bi  Bi4  4  0.0437  0.0000  0.2296  1
  Bi  Bi5  4  0.1152  0.0000  0.0732  1
  Bi  Bi6  4  0.1355  0.0000  0.5345  1
]