data_[Ba6Pd4Pb8]
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 [C2/m]
_cell_length_a [12.0560]
_cell_length_b [5.1835]
_cell_length_c [9.9292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(PdPb2)2]
_chemical_formula_sum '[Ba6 Pd4 Pb8]'
_cell_volume [601.4593]
_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  0.1113  0.5000  0.6928  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  4  0.1799  0.5000  0.3475  1.0
  Pb  Pb3  4  0.1214  0.0000  0.4189  1.0
  Pb  Pb4  4  0.2181  0.5000  0.0809  1.0
]