data_CdGaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   133.62
_cell_angle_beta   133.62
_cell_angle_gamma   67.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaCu2
_chemical_formula_sum   'Cd1 Ga1 Cu2'
_cell_volume   61.11
_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  Cd0  1  0.0  0.93  0.04  1.0
  Ga  Ga3  1  0.0  0.0  0.08  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.93  0.0  0.04  1.0

data_CdGaCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   4.91
_cell_angle_alpha   113.19
_cell_angle_beta   113.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaCu2
_chemical_formula_sum   'Cd1 Ga1 Cu2'
_cell_volume   61.11
_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  Cd0  1  0.11  0.04  0.11  1.0
  Ga  Ga1  1  0.08  0.08  0.08  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.04  0.11  0.11  1.0

Cd Ga Cu Cu
Cd Ga Cu Cu 0 1 o + o 0 2 o + o 1 3 - o o 1 2 o o o 2 3 - o o 
Cu2CdGa is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Cu2CdGa cluster. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Cu(2), one Cd(1), and one Ga(1) atom. The Cu(1)-Cu(2) bond length is 0.48 Å. The Cu(1)-Cd(1) bond length is 0.48 Å. The Cu(1)-Ga(1) bond length is 0.40 Å. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one Cu(1) and one Ga(1) atom. The Cu(2)-Ga(1) bond length is 0.23 Å. Cd(1) is bonded in a single-bond geometry to one Cu(1) and one Ga(1) atom. The Cd(1)-Ga(1) bond length is 0.23 Å. Ga(1) is bonded in a distorted water-like geometry to one Cu(1), one Cu(2), and one Cd(1) atom.