data_[Pd4Rh2Pb12]
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 [P2_1/c]
_cell_length_a [6.9346]
_cell_length_b [7.1760]
_cell_length_c [11.1851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pd2RhPb6]
_chemical_formula_sum '[Pd4 Rh2 Pb12]'
_cell_volume [455.0009]
_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  4  0.2947  0.6529  0.2637  1.0
  Rh  Rh1  2  0.5000  0.0000  0.5000  1.0
  Pb  Pb2  4  0.0821  0.0057  0.2283  1.0
  Pb  Pb3  4  0.1982  0.1698  0.5583  1.0
  Pb  Pb4  4  0.4121  0.6645  0.5737  1.0
]