data_Cu3Au2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   5.17
_cell_length_c   7.92
_cell_angle_alpha   59.79
_cell_angle_beta   40.0
_cell_angle_gamma   80.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Au2
_chemical_formula_sum   'Cu6 Au4'
_cell_volume   145.71
_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  Cu4  1  0.96  0.81  0.95  1.0
  Cu  Cu5  1  0.12  0.18  0.95  1.0
  Cu  Cu6  1  0.23  0.42  0.19  1.0
  Cu  Cu7  1  0.39  0.06  0.19  1.0
  Cu  Cu8  1  0.54  0.49  0.78  1.0
  Cu  Cu9  1  0.27  0.25  0.07  1.0
  Au  Au0  1  0.61  0.17  0.07  1.0
  Au  Au1  1  0.47  0.82  0.07  1.0
  Au  Au2  1  0.88  0.57  0.84  1.0
  Au  Au3  1  0.2  0.42  0.84  1.0

data_Cu3Au2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.94
_cell_length_b   5.17
_cell_length_c   6.95
_cell_angle_alpha   80.2
_cell_angle_beta   69.16
_cell_angle_gamma   61.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Au2
_chemical_formula_sum   'Cu6 Au4'
_cell_volume   145.71
_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  1  0.05  0.13  0.07  1.0
  Cu  Cu1  1  0.05  0.76  0.91  1.0
  Cu  Cu2  1  0.22  0.27  0.32  1.0
  Cu  Cu3  1  0.81  0.24  0.58  1.0
  Cu  Cu4  1  0.81  0.61  0.42  1.0
  Cu  Cu5  1  0.93  0.32  0.34  1.0
  Au  Au6  1  0.16  0.26  0.03  1.0
  Au  Au7  1  0.16  0.41  0.72  1.0
  Au  Au8  1  0.93  0.24  0.69  1.0
  Au  Au9  1  0.93  0.89  0.54  1.0

Cu Cu Cu Cu Cu Cu Au Au Au Au
Au2Cu3 crystallizes in the triclinic P1 space group. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to one Au(3), one Cu(1), and one Cu(4) atom. The Au(1)-Au(3) bond length is 1.82 Å. The Au(1)-Cu(1) bond length is 2.63 Å. The Au(1)-Cu(4) bond length is 1.11 Å. In the second Au site, Au(2) is bonded in a 2-coordinate geometry to one Au(3), one Cu(1), one Cu(3), one Cu(4), and one Cu(6) atom. The Au(2)-Au(3) bond length is 2.52 Å. The Au(2)-Cu(1) bond length is 2.76 Å. The Au(2)-Cu(3) bond length is 2.16 Å. The Au(2)-Cu(4) bond length is 1.67 Å. The Au(2)-Cu(6) bond length is 2.40 Å. In the third Au site, Au(3) is bonded in a 6-coordinate geometry to one Au(1), one Au(2), one Au(4), one Cu(1), one Cu(4), and one Cu(5) atom. The Au(3)-Au(4) bond length is 2.18 Å. The Au(3)-Cu(1) bond length is 2.17 Å. The Au(3)-Cu(4) bond length is 2.73 Å. The Au(3)-Cu(5) bond length is 2.88 Å. In the fourth Au site, Au(4) is bonded in a single-bond geometry to one Au(3), one Cu(1), one Cu(2), one Cu(5), and one Cu(6) atom. The Au(4)-Cu(1) bond length is 2.46 Å. The Au(4)-Cu(2) bond length is 1.00 Å. The Au(4)-Cu(5) bond length is 2.12 Å. The Au(4)-Cu(6) bond length is 2.03 Å. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one Au(1), one Au(2), one Au(3), one Au(4), and one Cu(2) atom. The Cu(1)-Cu(2) bond length is 2.36 Å. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one Au(4), one Cu(1), and one Cu(6) atom. The Cu(2)-Cu(6) bond length is 2.03 Å. In the third Cu site, Cu(3) is bonded in a 2-coordinate geometry to one Au(2) and one Cu(6) atom. The Cu(3)-Cu(6) bond length is 1.46 Å. In the fourth Cu site, Cu(4) is bonded in a 2-coordinate geometry to one Au(1), one Au(2), one Au(3), and one Cu(6) atom. The Cu(4)-Cu(6) bond length is 1.57 Å. In the fifth Cu site, Cu(5) is bonded in a 2-coordinate geometry to one Au(3), one Au(4), and one Cu(6) atom. The Cu(5)-Cu(6) bond length is 1.30 Å. In the sixth Cu site, Cu(6) is bonded in a 6-coordinate geometry to one Au(2), one Au(4), one Cu(2), one Cu(3), one Cu(4), and one Cu(5) atom.