data_Cu2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   146.01
_cell_angle_beta   135.08
_cell_angle_gamma   57.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Au
_chemical_formula_sum   'Cu2 Au1'
_cell_volume   42.05
_cell_formula_units_Z   1
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  Cu1  1  0.0  0.0  0.63  1.0
  Cu  Cu2  1  0.0  0.0  0.7  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Cu2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   3.63
_cell_length_c   4.75
_cell_angle_alpha   112.46
_cell_angle_beta   107.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Au
_chemical_formula_sum   'Cu2 Au1'
_cell_volume   42.05
_cell_formula_units_Z   1
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  1  0.3  0.3  0.3  1.0
  Cu  Cu1  1  0.37  0.37  0.37  1.0
  Au  Au2  1  0.0  0.0  0.0  1.0

Cu Cu Au