data_[Pd2Pt2Au8]
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 [Amm2]
_cell_length_a [4.8152]
_cell_length_b [2.8918]
_cell_length_c [14.8143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PdPtAu4]
_chemical_formula_sum '[Pd2 Pt2 Au8]'
_cell_volume [206.2821]
_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  2  0.0000  0.0000  0.3868  1
  Pt  Pt1  2  0.5000  0.0000  0.6065  1
  Au  Au2  2  0.0000  0.0000  0.0531  1
  Au  Au3  2  0.0000  0.0000  0.7212  1
  Au  Au4  2  0.5000  0.0000  0.2735  1
  Au  Au5  2  0.5000  0.0000  0.9408  1
]