data_Cd2CuSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   3.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuSb
_chemical_formula_sum   'Cd2 Cu1 Sb1'
_cell_volume   87.3
_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  0.4  0.81  0.78  1.0
  Cd  Cd1  1  0.4  0.19  0.78  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.8  0.0  0.0  1.0

data_Cd2CuSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   114.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuSb
_chemical_formula_sum   'Cd2 Cu1 Sb1'
_cell_volume   87.3
_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  0.78  0.4  0.81  1.0
  Cd  Cd1  1  0.78  0.4  0.19  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.8  0.0  1.0

Cd Cd Cu Sb
Cd Cd Cu Sb 0 1 o + o 0 3 o + + 1 2 o o + 2 3 - o o 
CuCd2Sb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CuCd2Sb cluster. Cu(1) is bonded in a distorted bent 150 degrees geometry to one Cd(2) and one Sb(1) atom. The Cu(1)-Cd(2) bond length is 2.05 Å. The Cu(1)-Sb(1) bond length is 1.05 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 1-coordinate geometry to one Sb(1) atom. The Cd(1)-Sb(1) bond length is 2.05 Å. In the second Cd site, Cd(2) is bonded in a 1-coordinate geometry to one Cu(1) atom. Sb(1) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one Cd(1) atom.