data_[Pd4Pb12Au2]
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/c]
_cell_length_a [6.9987]
_cell_length_b [6.8999]
_cell_length_c [11.4372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pd2Pb6Au]
_chemical_formula_sum '[Pd4 Pb12 Au2]'
_cell_volume [482.7530]
_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  0.1929  0.1432  0.7261  1.0
  Pb  Pb1  4  0.0773  0.1859  0.4320  1.0
  Pb  Pb2  4  0.2231  0.6587  0.4068  1.0
  Pb  Pb3  4  0.3942  0.0025  0.2195  1.0
  Au  Au4  2  0.5000  0.0000  0.5000  1.0
]