data_[Pt8Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.8899]
_cell_length_b [12.8813]
_cell_length_c [5.7064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pt2Au5]
_chemical_formula_sum '[Pt8 Au20]'
_cell_volume [506.4523]
_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
[
  Pt  Pt0  8  0.2211  0.1184  0.5000  1
  Au  Au1  8  0.0000  0.2678  0.2500  1
  Au  Au2  8  0.1804  0.0970  0.0000  1
  Au  Au3  4  0.0000  0.5000  0.2500  1
]