data_[Pd6Pt2Pb12]
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 [P2_1/c]
_cell_length_a [7.2718]
_cell_length_b [6.9510]
_cell_length_c [11.6739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pd3PtPb6]
_chemical_formula_sum '[Pd6 Pt2 Pb12]'
_cell_volume [496.7830]
_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  0.3179  0.6793  0.2850  1.0
  Pd  Pd1  2  0.5000  0.0000  0.5000  1.0
  Pt  Pt2  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  4  0.0695  0.0128  0.2605  1.0
  Pb  Pb4  4  0.2347  0.1477  0.5918  1.0
  Pb  Pb5  4  0.4069  0.6509  0.5759  1.0
]