data_Cd2GaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   4.73
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaCu
_chemical_formula_sum   'Cd2 Ga1 Cu1'
_cell_volume   75.4
_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  0.68  0.37  0.0  1.0
  Cd  Cd1  1  0.0  0.37  0.37  1.0
  Ga  Ga3  1  0.68  0.0  0.37  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_Cd2GaCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.73
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaCu
_chemical_formula_sum   'Cd2 Ga1 Cu1'
_cell_volume   75.4
_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  0.37  0.37  1.0
  Cd  Cd1  1  0.68  0.37  0.0  1.0
  Ga  Ga2  1  0.68  0.0  0.37  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Cd Cd Ga Cu
Cd Cd Ga Cu 0 3 + o o 0 1 + o o 1 2 - o o 2 3 + o o 
CuCd2Ga crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CuCd2Ga cluster. Cu(1) is bonded in a 2-coordinate geometry to one Cd(1) and one Ga(1) atom. The Cu(1)-Cd(1) bond length is 2.05 Å. The Cu(1)-Ga(1) bond length is 2.08 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 1-coordinate geometry to one Cu(1) atom. In the second Cd site, Cd(2) is bonded in a 1-coordinate geometry to one Ga(1) atom. The Cd(2)-Ga(1) bond length is 2.05 Å. Ga(1) is bonded in a 2-coordinate geometry to one Cu(1) and one Cd(2) atom.