data_[Pd9Pb2Au1]
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 [P4/mmm]
_cell_length_a [4.0876]
_cell_length_b [4.0876]
_cell_length_c [12.1259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pd9Pb2Au]
_chemical_formula_sum '[Pd9 Pb2 Au1]'
_cell_volume [202.6097]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.1620  1
  Pd  Pd1  2  0.0000  0.5000  0.5000  1
  Pd  Pd2  2  0.5000  0.5000  0.3322  1
  Pd  Pd3  1  0.5000  0.5000  0.0000  1
  Pb  Pb4  2  0.0000  0.0000  0.3285  1
  Au  Au5  1  0.0000  0.0000  0.0000  1
]