data_[Pd12Pb4Au4]
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 [Pnma]
_cell_length_a [7.4273]
_cell_length_b [7.3525]
_cell_length_c [6.8839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pd3PbAu]
_chemical_formula_sum '[Pd12 Pb4 Au4]'
_cell_volume [375.9275]
_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  0.1471  0.0418  0.1368  1
  Pd  Pd1  4  0.1209  0.2500  0.7839  1
  Pb  Pb2  4  0.1649  0.7500  0.8943  1
  Au  Au3  4  0.0000  0.0000  0.5000  1
]