data_[Ba4Bi4Pb2]
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 [P4/mbm]
_cell_length_a [8.7311]
_cell_length_b [8.7311]
_cell_length_c [5.2085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ba2Bi2Pb]
_chemical_formula_sum '[Ba4 Bi4 Pb2]'
_cell_volume [397.0552]
_cell_formula_units_Z [2]
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  4  0.1767  0.3233  0.5000  1.0
  Bi  Bi1  4  0.1266  0.6266  0.0000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0000  1.0
]