data_In2CuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.86
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CuAu
_chemical_formula_sum   'In2 Cu1 Au1'
_cell_volume   80.07
_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
  In  In2  1  0.85  0.93  0.41  1.0
  In  In3  1  0.0  0.0  0.57  1.0
  Cu  Cu1  1  0.0  0.0  0.34  1.0
  Au  Au0  1  0.85  0.93  0.7  1.0

data_In2CuAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.86
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CuAu
_chemical_formula_sum   'In2 Cu1 Au1'
_cell_volume   80.07
_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
  In  In0  1  0.0  0.0  0.57  1.0
  In  In1  1  0.85  0.93  0.41  1.0
  Cu  Cu2  1  0.0  0.0  0.34  1.0
  Au  Au3  1  0.85  0.93  0.7  1.0

In In Cu Au
In In Cu Au 0 2 + + o 0 1 + + o 1 3 - - o 
AuCuIn2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one AuCuIn2 cluster. Au(1) is bonded in a single-bond geometry to one In(2) atom. The Au(1)-In(2) bond length is 0.95 Å. Cu(1) is bonded in a distorted single-bond geometry to one In(1) atom. The Cu(1)-In(1) bond length is 0.75 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 2-coordinate geometry to one Cu(1) and one In(2) atom. The In(1)-In(2) bond length is 1.09 Å. In the second In site, In(2) is bonded in a distorted single-bond geometry to one Au(1) and one In(1) atom.