data_[Ba8Pd8Pb4]
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/c]
_cell_length_a [10.9456]
_cell_length_b [6.3111]
_cell_length_c [8.9011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2Pd2Pb]
_chemical_formula_sum '[Ba8 Pd8 Pb4]'
_cell_volume [596.0789]
_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  8  0.1469  0.3527  0.6455  1.0
  Pd  Pd1  8  0.1378  0.1365  0.9962  1.0
  Pb  Pb2  4  0.0000  0.1331  0.2500  1.0
]