data_[Ba12Bi12Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0490]
_cell_length_b [13.3936]
_cell_length_c [19.0429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba3Bi3Pb2]
_chemical_formula_sum '[Ba12 Bi12 Pb8]'
_cell_volume [1287.7494]
_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
[
  Ba  Ba0  8  0.0000  0.0873  0.6082  1.0
  Ba  Ba1  4  0.0000  0.3673  0.7500  1.0
  Bi  Bi2  8  0.0000  0.3953  0.5418  1.0
  Bi  Bi3  4  0.0000  0.3592  0.2500  1.0
  Pb  Pb4  8  0.0000  0.2045  0.1143  1.0
]