data_[Pd18Pt3Pb36]
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 [R-3]
_cell_length_a [12.4995]
_cell_length_b [12.4995]
_cell_length_c [11.5617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pd6PtPb12]
_chemical_formula_sum '[Pd18 Pt3 Pb36]'
_cell_volume [1564.3624]
_cell_formula_units_Z [3]
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  18  0.0477  0.7902  0.6539  1.0
  Pt  Pt1  3  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  18  0.0371  0.8204  0.3975  1.0
  Pb  Pb3  18  0.0426  0.8243  0.8926  1.0
]