data_[Ba8Pb32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [11.3761]
_cell_length_b [11.3761]
_cell_length_c [11.3761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [BaPb4]
_chemical_formula_sum '[Ba8 Pb32]'
_cell_volume [1472.2500]
_cell_formula_units_Z [8]
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  0.2191  0.2191  0.2191  1
  Pb  Pb1  12  0.0000  0.0000  0.3476  1
  Pb  Pb2  12  0.0000  0.2500  0.5000  1
  Pb  Pb3  8  0.1015  0.1015  0.8985  1
]