data_[Cu8Au2]
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/m]
_cell_length_a [8.7812]
_cell_length_b [2.7002]
_cell_length_c [6.4678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu4Au]
_chemical_formula_sum '[Cu8 Au2]'
_cell_volume [131.2772]
_cell_formula_units_Z [2]
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  4  0.1045  0.5000  0.4138  1.0
  Cu  Cu1  4  0.1905  0.0000  0.7877  1.0
  Au  Au2  2  0.0000  0.0000  0.0000  1.0
]