data_CuSnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.8
_cell_length_b   8.8
_cell_length_c   8.8
_cell_angle_alpha   20.91
_cell_angle_beta   20.91
_cell_angle_gamma   20.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnAu2
_chemical_formula_sum   'Cu1 Sn1 Au2'
_cell_volume   76.02
_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  Cu2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.91  1.0
  Au  Au0  1  0.0  0.0  0.7  1.0
  Au  Au1  1  0.0  0.0  0.11  1.0

data_CuSnAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   3.19
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   102.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuSnAu2
_chemical_formula_sum   'Cu2 Sn2 Au4'
_cell_volume   152.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.09  1.0
  Au  Au2  2  0.0  0.0  0.3  1.0
  Au  Au3  2  0.0  0.0  0.89  1.0

Cu Sn Au Au
Cu Sn Au Au 0 1 o o - 0 3 o o o 1 2 o o o 
Au2CuSn is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Au2CuSn clusters. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to one Sn(1) atom. The Au(1)-Sn(1) bond length is 1.79 Å. In the second Au site, Au(2) is bonded in a single-bond geometry to one Cu(1) atom. The Au(2)-Cu(1) bond length is 0.96 Å. Cu(1) is bonded in a linear geometry to one Au(2) and one Sn(1) atom. The Cu(1)-Sn(1) bond length is 0.82 Å. Sn(1) is bonded in a linear geometry to one Au(1) and one Cu(1) atom.