data_[Pd3Pt6Au3]
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 [R3m]
_cell_length_a [2.8051]
_cell_length_b [2.8051]
_cell_length_c [28.5880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PdPt2Au]
_chemical_formula_sum '[Pd3 Pt6 Au3]'
_cell_volume [194.8153]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5002  1.0
  Pt  Pt1  3  0.0000  0.0000  0.7519  1.0
  Pt  Pt2  3  0.0000  0.0000  0.9148  1.0
  Au  Au3  3  0.0000  0.0000  0.3330  1.0
]