data_[Pd8Rh8Pb20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [16.1696]
_cell_length_b [7.2726]
_cell_length_c [7.0606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Pd2Rh2Pb5]
_chemical_formula_sum '[Pd8 Rh8 Pb20]'
_cell_volume [830.2894]
_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  0.0000  0.0000  0.1168  1.0
  Pd  Pd1  4  0.2500  0.0082  0.8229  1.0
  Rh  Rh2  8  0.0896  0.0124  0.4611  1.0
  Pb  Pb3  8  0.0667  0.6729  0.2936  1.0
  Pb  Pb4  8  0.1523  0.1796  0.1306  1.0
  Pb  Pb5  4  0.2500  0.6388  0.9538  1.0
]