data_[Pd20Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.4774]
_cell_length_b [7.8292]
_cell_length_c [7.4599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Pd5Pb3]
_chemical_formula_sum '[Pd20 Pb12]'
_cell_volume [623.4914]
_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  4  0.0812  0.1261  0.4120  1.0
  Pd  Pd1  4  0.0828  0.6332  0.9149  1.0
  Pd  Pd2  4  0.1681  0.9636  0.8325  1.0
  Pd  Pd3  4  0.1695  0.7932  0.3437  1.0
  Pd  Pd4  4  0.2459  0.1295  0.2414  1.0
  Pb  Pb5  4  0.1463  0.4429  0.2898  1.0
  Pb  Pb6  4  0.1507  0.3146  0.7930  1.0
  Pb  Pb7  2  0.0000  0.7590  0.5000  1.0
  Pb  Pb8  2  0.0000  0.9888  0.0000  1.0
]