data_CdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   3.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCu2
_chemical_formula_sum   'Cd2 Cu4'
_cell_volume   89.52
_cell_formula_units_Z   2
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  0.01  0.06  0.84  1.0
  Cd  Cd1  1  0.01  0.94  0.84  1.0
  Cu  Cu2  1  0.01  0.0  0.84  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0
  Cu  Cu4  1  0.01  0.78  0.0  1.0
  Cu  Cu5  1  0.01  0.22  0.0  1.0

data_CdCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.02
_cell_length_c   6.37
_cell_angle_alpha   108.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCu2
_chemical_formula_sum   'Cd2 Cu4'
_cell_volume   89.52
_cell_formula_units_Z   2
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  0.84  0.06  0.07  1.0
  Cd  Cd1  1  0.84  0.94  0.95  1.0
  Cu  Cu2  1  -0.0  0.22  0.23  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0
  Cu  Cu4  1  0.0  0.78  0.78  1.0
  Cu  Cu5  1  0.84  0.0  0.01  1.0

Cd Cd Cu Cu Cu Cu
Cu2Cd crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Cu2Cd cluster. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a T-shaped geometry to one Cu(2), one Cd(1), and one Cd(2) atom. The Cu(1)-Cu(2) bond length is 0.58 Å. The Cu(1)-Cd(1) bond length is 0.38 Å. The Cu(1)-Cd(2) bond length is 0.38 Å. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cd(1), and one Cd(2) atom. The Cu(2)-Cd(1) bond length is 0.67 Å. The Cu(2)-Cd(2) bond length is 0.72 Å. In the third Cu site, Cu(3) is bonded in a single-bond geometry to one Cd(2) atom. The Cu(3)-Cd(2) bond length is 1.20 Å. In the fourth Cu site, Cu(4) is bonded in a single-bond geometry to one Cd(1) atom. The Cu(4)-Cd(1) bond length is 1.20 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(4) atom. In the second Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), and one Cu(3) atom.