data_[Cu10Au2]
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 [Amm2]
_cell_length_a [4.2778]
_cell_length_b [2.6840]
_cell_length_c [13.6500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cu5Au]
_chemical_formula_sum '[Cu10 Au2]'
_cell_volume [156.7225]
_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  2  0.0000  0.0000  0.3248  1.0
  Cu  Cu1  2  0.0000  0.0000  0.6702  1.0
  Cu  Cu2  2  0.5000  0.0000  0.1200  1.0
  Cu  Cu3  2  0.5000  0.0000  0.4399  1.0
  Cu  Cu4  2  0.5000  0.0000  0.7795  1.0
  Au  Au5  2  0.0000  0.0000  0.9989  1.0
]