data_HfCd2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   5.48
_cell_angle_alpha   102.51
_cell_angle_beta   102.51
_cell_angle_gamma   36.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Ni
_chemical_formula_sum   'Hf1 Cd2 Ni1'
_cell_volume   74.83
_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
  Hf  Hf2  1  0.87  0.0  0.41  1.0
  Cd  Cd0  1  0.9  0.0  0.31  1.0
  Cd  Cd1  1  0.36  0.0  0.01  1.0
  Ni  Ni3  1  0.56  0.0  0.6  1.0

data_HfCd2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.85
_cell_length_c   5.48
_cell_angle_alpha   102.51
_cell_angle_beta   90.0
_cell_angle_gamma   108.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Ni
_chemical_formula_sum   'Hf1 Cd2 Ni1'
_cell_volume   74.83
_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
  Hf  Hf0  1  0.0  0.13  0.59  1.0
  Cd  Cd1  1  0.0  0.1  0.69  1.0
  Cd  Cd2  1  0.0  0.64  0.99  1.0
  Ni  Ni3  1  0.0  0.44  0.4  1.0

Hf Cd Cd Ni
Hf Cd Cd Ni 0 1 o o o 0 2 o o o 0 3 o o o 1 2 + o o 1 2 o o o 2 2 + - o 2 3 o o - 2 3 o o o 
HfNiCd2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfNiCd2 cluster. Hf(1) is bonded in a distorted single-bond geometry to one Ni(1) and one Cd(1) atom. The Hf(1)-Ni(1) bond length is 1.97 Å. The Hf(1)-Cd(1) bond length is 0.61 Å. Ni(1) is bonded in a distorted single-bond geometry to one Hf(1) and one Cd(2) atom. The Ni(1)-Cd(2) bond length is 2.63 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Hf(1) atom. In the second Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Ni(1) atom.