data_CdGaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   9.02
_cell_angle_alpha   20.07
_cell_angle_beta   20.07
_cell_angle_gamma   20.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaAu2
_chemical_formula_sum   'Cd1 Ga1 Au2'
_cell_volume   75.63
_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
  Cd  Cd2  1  0.0  0.0  0.25  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.76  1.0
  Au  Au1  1  0.0  0.0  0.74  1.0

data_CdGaAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   3.14
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   101.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdGaAu2
_chemical_formula_sum   'Cd2 Ga2 Au4'
_cell_volume   151.27
_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
  Cd  Cd0  2  0.0  0.0  0.75  1.0
  Ga  Ga1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.0  0.0  0.24  1.0
  Au  Au3  2  0.0  0.0  0.26  1.0

Cd Ga Au Au
Cd Ga Au Au 0 1 o o o 1 3 o o - 1 2 o o - 2 3 o o o 
Au2CdGa crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Au2CdGa clusters. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a linear geometry to one Au(2) and one Ga(1) atom. The Au(1)-Au(2) bond length is 0.20 Å. The Au(1)-Ga(1) bond length is 2.12 Å. In the second Au site, Au(2) is bonded in a single-bond geometry to one Au(1) atom. Cd(1) is bonded in a single-bond geometry to one Ga(1) atom. The Cd(1)-Ga(1) bond length is 2.28 Å. Ga(1) is bonded in a distorted linear geometry to one Au(1) and one Cd(1) atom.