data_Cd2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Cu
_chemical_formula_sum   'Cd4 Cu2'
_cell_volume   109.52
_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  0.0  0.0  0.87  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.0  0.71  0.3  1.0
  Cd  Cd3  1  0.35  0.36  0.43  1.0
  Cu  Cu4  1  0.0  0.71  0.43  1.0
  Cu  Cu5  1  0.35  0.36  0.3  1.0

data_Cd2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Cu
_chemical_formula_sum   'Cd4 Cu2'
_cell_volume   109.52
_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  -0.0  0.71  0.3  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.0  0.0  0.87  1.0
  Cd  Cd3  1  0.35  0.36  0.43  1.0
  Cu  Cu4  1  -0.0  0.71  0.43  1.0
  Cu  Cu5  1  0.35  0.36  0.3  1.0

Cd Cd Cd Cd Cu Cu
CuCd2 is Hg_xSn structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CuCd2 cluster. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Cd(3) atom. The Cu(1)-Cd(3) bond length is 0.77 Å. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one Cd(2) and one Cd(4) atom. The Cu(2)-Cd(2) bond length is 2.38 Å. The Cu(2)-Cd(4) bond length is 0.77 Å. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 1-coordinate geometry to one Cd(2) atom. The Cd(1)-Cd(2) bond length is 0.77 Å. In the second Cd site, Cd(2) is bonded in a 3-coordinate geometry to one Cu(2), one Cd(1), and one Cd(3) atom. The Cd(2)-Cd(3) bond length is 2.18 Å. In the third Cd site, Cd(3) is bonded in a single-bond geometry to one Cu(1) and one Cd(2) atom. In the fourth Cd site, Cd(4) is bonded in a single-bond geometry to one Cu(2) atom.