data_NbCdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdCu2
_chemical_formula_sum   'Nb1 Cd1 Cu2'
_cell_volume   62.77
_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
  Nb  Nb3  1  0.0  0.0  0.14  1.0
  Cd  Cd0  1  0.97  0.0  0.77  1.0
  Cu  Cu1  1  0.0  0.0  0.55  1.0
  Cu  Cu2  1  0.97  0.0  0.01  1.0

data_NbCdCu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbCdCu2
_chemical_formula_sum   'Nb1 Cd1 Cu2'
_cell_volume   62.81
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Nb  Nb0  1  0.0  0.0  0.14  1.0
  Cd  Cd1  1  0.97  0.0  0.77  1.0
  Cu  Cu2  1  0.0  0.0  0.55  1.0
  Cu  Cu3  1  0.97  0.0  0.01  1.0

Nb Cd Cu Cu
Nb Cd Cu Cu 0 3 - o o 1 2 + o o 1 3 o o + 
NbCu2Cd crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one NbCu2Cd cluster. Nb(1) is bonded in a single-bond geometry to one Cu(2) atom. The Nb(1)-Cu(2) bond length is 0.96 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Cd(1) atom. The Cu(1)-Cd(1) bond length is 1.70 Å. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one Nb(1) and one Cd(1) atom. The Cu(2)-Cd(1) bond length is 1.92 Å. Cd(1) is bonded in a linear geometry to one Cu(1) and one Cu(2) atom.