data_[Cu8Au4]
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 [Cm]
_cell_length_a [9.9324]
_cell_length_b [2.7804]
_cell_length_c [6.4734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cu2Au]
_chemical_formula_sum '[Cu8 Au4]'
_cell_volume [172.5869]
_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  2  0.0492  0.0000  0.6087  1.0
  Cu  Cu1  2  0.2191  0.5000  0.9290  1.0
  Cu  Cu2  2  0.3352  0.0000  0.6713  1.0
  Cu  Cu3  2  0.3909  0.0000  0.2803  1.0
  Au  Au4  2  0.1768  0.5000  0.3524  1.0
  Au  Au5  2  0.4955  0.5000  0.9917  1.0
]