data_[Pd16Pb12Au8]
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/c]
_cell_length_a [14.3675]
_cell_length_b [10.0193]
_cell_length_c [5.0424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pd4Pb3Au2]
_chemical_formula_sum '[Pd16 Pb12 Au8]'
_cell_volume [710.3422]
_cell_formula_units_Z [4]
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  8  0.0543  0.1220  0.0308  1.0
  Pd  Pd1  8  0.1075  0.3887  0.2975  1.0
  Pb  Pb2  8  0.1561  0.1314  0.5627  1.0
  Pb  Pb3  4  0.0000  0.3661  0.7500  1.0
  Au  Au4  8  0.2219  0.3791  0.8818  1.0
]