data_[Pd5Pb2Au2]
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 [P-6m2]
_cell_length_a [4.7256]
_cell_length_b [4.7256]
_cell_length_c [8.5184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Pd5(PbAu)2]
_chemical_formula_sum '[Pd5 Pb2 Au2]'
_cell_volume [164.7438]
_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  2  0.0000  0.0000  0.1707  1.0
  Pd  Pd1  2  0.6667  0.3333  0.6690  1.0
  Pd  Pd2  1  0.3333  0.6667  0.5000  1.0
  Pb  Pb3  1  0.0000  0.0000  0.5000  1.0
  Pb  Pb4  1  0.6667  0.3333  0.0000  1.0
  Au  Au5  2  0.3333  0.6667  0.8192  1.0
]