data_[Ba4Pd4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0632]
_cell_length_b [7.2548]
_cell_length_c [8.7217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaPdPb]
_chemical_formula_sum '[Ba4 Pd4 Pb4]'
_cell_volume [377.5691]
_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  4  0.2159  0.6447  0.4189  1.0
  Pd  Pd1  4  0.3765  0.0914  0.3221  1.0
  Pb  Pb2  4  0.2511  0.1311  0.5719  1.0
]