data_Nb2CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   145.06
_cell_angle_beta   132.87
_cell_angle_gamma   59.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdNi
_chemical_formula_sum   'Nb2 Cd1 Ni1'
_cell_volume   66.31
_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  Nb1  1  0.0  0.17  0.5  1.0
  Nb  Nb2  1  0.63  0.0  0.2  1.0
  Cd  Cd0  1  0.0  0.0  0.7  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Nb2CdNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.34
_cell_length_c   5.42
_cell_angle_alpha   113.56
_cell_angle_beta   107.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdNi
_chemical_formula_sum   'Nb2 Cd1 Ni1'
_cell_volume   66.31
_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  Nb0  1  0.0  0.2  0.57  1.0
  Nb  Nb1  1  0.83  0.33  0.33  1.0
  Cd  Cd2  1  0.0  0.7  0.7  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Nb Nb Cd Ni
Nb2NiCd crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 4-coordinate geometry to one Nb(2), two equivalent Ni(1), and one Cd(1) atom. The Nb(1)-Nb(2) bond length is 1.58 Å. There is one shorter (2.03 Å) and one longer (2.76 Å) Nb(1)-Ni(1) bond length. The Nb(1)-Cd(1) bond length is 1.89 Å. In the second Nb site, Nb(2) is bonded in a 4-coordinate geometry to one Nb(1), one Ni(1), and two equivalent Cd(1) atoms. The Nb(2)-Ni(1) bond length is 2.79 Å. There is one shorter (1.99 Å) and one longer (2.53 Å) Nb(2)-Cd(1) bond length. Ni(1) is bonded in a 2-coordinate geometry to one Nb(2), two equivalent Nb(1), and one Cd(1) atom. The Ni(1)-Cd(1) bond length is 1.64 Å. Cd(1) is bonded in a 1-coordinate geometry to one Nb(1), two equivalent Nb(2), and one Ni(1) atom.