data_[K64Bi16Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [16.7868]
_cell_length_b [16.7868]
_cell_length_c [16.7868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [K4BiPb]
_chemical_formula_sum '[K64 Bi16 Pb16]'
_cell_volume [4730.5061]
_cell_formula_units_Z [16]
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  24  0.0000  0.0000  0.2223  1
  K  K1  24  0.0421  0.2500  0.2500  1
  K  K2  16  0.1017  0.1017  0.6017  1
  Bi  Bi3  16  0.1126  0.1126  0.3874  1
  Pb  Pb4  16  0.1827  0.1827  0.8173  1
]