data_[Pd8Pt12Au4]
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 [C2/m]
_cell_length_a [13.2542]
_cell_length_b [3.3585]
_cell_length_c [9.1462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pd2Pt3Au]
_chemical_formula_sum '[Pd8 Pt12 Au4]'
_cell_volume [387.0982]
_cell_formula_units_Z [4]
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  0.0431  0.5000  0.8687  1.0
  Pd  Pd1  4  0.2093  0.0000  0.8718  1.0
  Pt  Pt2  4  0.0404  0.0000  0.3776  1.0
  Pt  Pt3  4  0.1268  0.5000  0.6238  1.0
  Pt  Pt4  4  0.2067  0.5000  0.3770  1.0
  Au  Au5  4  0.1226  0.0000  0.1212  1.0
]