data_CdNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   148.53
_cell_angle_beta   130.26
_cell_angle_gamma   60.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi
_chemical_formula_sum   'Cd2 Ni2'
_cell_volume   61.64
_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  0.4  0.03  1.0
  Cd  Cd1  1  0.46  0.87  0.63  1.0
  Ni  Ni2  1  0.46  0.13  0.34  1.0
  Ni  Ni3  1  0.0  0.13  0.32  1.0

data_CdNi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.92
_cell_length_b   4.53
_cell_length_c   5.38
_cell_angle_alpha   114.87
_cell_angle_beta   105.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdNi
_chemical_formula_sum   'Cd2 Ni2'
_cell_volume   61.64
_cell_formula_units_Z   2
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
  Cd  Cd0  2  0.43  0.93  0.66  1.0
  Ni  Ni1  2  0.28  0.51  0.78  1.0

Cd Cd Ni Ni
NiCd crystallizes in the triclinic P-1 space group. Ni(1) is bonded in a 6-coordinate geometry to one Ni(1) and five equivalent Cd(1) atoms. The Ni(1)-Ni(1) bond length is 2.43 Å. There are a spread of Ni(1)-Cd(1) bond distances ranging from 2.33-2.90 Å. Cd(1) is bonded in a 6-coordinate geometry to five equivalent Ni(1) and one Cd(1) atom. The Cd(1)-Cd(1) bond length is 2.22 Å.