data_[Pd36Pb18Au3]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2650]
_cell_length_b [12.2650]
_cell_length_c [8.4790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pd12Pb6Au]
_chemical_formula_sum '[Pd36 Pb18 Au3]'
_cell_volume [1104.6073]
_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  0.0411  0.8020  0.0746  1.0
  Pd  Pd1  18  0.0603  0.8198  0.4204  1.0
  Pb  Pb2  18  0.0440  0.8358  0.7412  1.0
  Au  Au3  3  0.0000  0.0000  0.0000  1.0
]