data_[Cu8Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.8085]
_cell_length_b [4.8285]
_cell_length_c [7.4921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2Au5]
_chemical_formula_sum '[Cu8 Au20]'
_cell_volume [462.5994]
_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  0.0734  0.3123  0.1064  1.0
  Au  Au1  8  0.1308  0.1879  0.4586  1.0
  Au  Au2  8  0.2158  0.3228  0.8223  1.0
  Au  Au3  4  0.0000  0.2065  0.7500  1.0
]