data_[Cu8Ag4Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.9544]
_cell_length_b [6.9544]
_cell_length_c [11.1738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Cu2AgAu5]
_chemical_formula_sum '[Cu8 Ag4 Au20]'
_cell_volume [540.4066]
_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  0.1437  0.6437  0.5000  1.0
  Ag  Ag1  4  0.0000  0.0000  0.2500  1.0
  Au  Au2  16  0.1498  0.3502  0.3462  1.0
  Au  Au3  4  0.0000  0.0000  0.0000  1.0
]