data_[Pd8Pt8Pb20]
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 [Ima2]
_cell_length_a [16.5540]
_cell_length_b [7.1739]
_cell_length_c [7.2574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Pd2Pt2Pb5]
_chemical_formula_sum '[Pd8 Pt8 Pb20]'
_cell_volume [861.8659]
_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
[
  Pd  Pd0  8  0.0844  0.0206  0.5485  1.0
  Pt  Pt1  4  0.0000  0.0000  0.8931  1.0
  Pt  Pt2  4  0.2500  0.5047  0.6539  1.0
  Pb  Pb3  8  0.0720  0.6653  0.7098  1.0
  Pb  Pb4  8  0.1535  0.1746  0.8735  1.0
  Pb  Pb5  4  0.2500  0.6271  0.0254  1.0
]