data_[Pd3Pt4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [2.7880]
_cell_length_b [2.7880]
_cell_length_c [21.8763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Pd3(Pt2Au)2]
_chemical_formula_sum '[Pd3 Pt4 Au2]'
_cell_volume [147.2647]
_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  1  0.0000  0.0000  0.3502  1.0
  Pd  Pd1  1  0.3333  0.6667  0.0178  1.0
  Pd  Pd2  1  0.3333  0.6667  0.6731  1.0
  Pt  Pt3  1  0.0000  0.0000  0.5661  1.0
  Pt  Pt4  1  0.0000  0.0000  0.7804  1.0
  Pt  Pt5  1  0.3333  0.6667  0.2426  1.0
  Pt  Pt6  1  0.3333  0.6667  0.4572  1.0
  Au  Au7  1  0.0000  0.0000  0.1288  1.0
  Au  Au8  1  0.0000  0.0000  0.9067  1.0
]