data_[Pd12Pt46Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.9013]
_cell_length_b [7.9013]
_cell_length_c [15.7429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Pd6Pt23Pb]
_chemical_formula_sum '[Pd12 Pt46 Pb2]'
_cell_volume [982.8261]
_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
[
  Pd  Pd0  8  0.2489  0.2489  0.0000  1
  Pd  Pd1  4  0.0000  0.0000  0.2514  1
  Pt  Pt2  16  0.0000  0.2514  0.8716  1
  Pt  Pt3  16  0.0000  0.2614  0.3685  1
  Pt  Pt4  8  0.2500  0.2500  0.2500  1
  Pt  Pt5  4  0.0000  0.5000  0.0000  1
  Pt  Pt6  2  0.0000  0.0000  0.0000  1
  Pb  Pb7  2  0.0000  0.0000  0.5000  1
]