data_[Pd4Pb4Au2]
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 [P2_1/m]
_cell_length_a [5.8183]
_cell_length_b [4.7243]
_cell_length_c [8.3862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pd2Pb2Au]
_chemical_formula_sum '[Pd4 Pb4 Au2]'
_cell_volume [221.0373]
_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  2  0.2710  0.2500  0.3721  1.0
  Pd  Pd1  2  0.3782  0.2500  0.0514  1.0
  Pb  Pb2  2  0.1214  0.7500  0.9133  1.0
  Pb  Pb3  2  0.2201  0.7500  0.5490  1.0
  Au  Au4  2  0.4885  0.7500  0.2625  1.0
]