data_[Pd12Pb2Au4]
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 [C2/m]
_cell_length_a [8.8925]
_cell_length_b [4.1758]
_cell_length_c [8.5412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pd6PbAu2]
_chemical_formula_sum '[Pd12 Pb2 Au4]'
_cell_volume [305.6321]
_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  0.0091  0.0000  0.8385  1.0
  Pd  Pd1  4  0.1588  0.5000  0.3862  1.0
  Pd  Pd2  4  0.1616  0.5000  0.0544  1.0
  Pb  Pb3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  4  0.1830  0.5000  0.7376  1.0
]