data_[Ba24Pb40]
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 [Fdd2]
_cell_length_a [7.1480]
_cell_length_b [21.4702]
_cell_length_c [16.5601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Ba3Pb5]
_chemical_formula_sum '[Ba24 Pb40]'
_cell_volume [2541.4681]
_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  16  0.0021  0.3225  0.6972  1
  Ba  Ba1  8  0.0000  0.0000  0.7017  1
  Pb  Pb2  16  0.0388  0.1582  0.6104  1
  Pb  Pb3  16  0.0463  0.3323  0.2939  1
  Pb  Pb4  8  0.0000  0.0000  0.2368  1
]