data_[Cu8Pt8Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.7981]
_cell_length_b [6.4346]
_cell_length_c [6.4765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Cu2Pt2Au5]
_chemical_formula_sum '[Cu8 Pt8 Au20]'
_cell_volume [616.6944]
_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
[
  Cu  Cu0  8  0.0000  0.1269  0.3718  1
  Pt  Pt1  8  0.2242  0.0000  0.0000  1
  Au  Au2  16  0.1275  0.1765  0.6773  1
  Au  Au3  4  0.0000  0.0000  0.0000  1
]