data_HfNbNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbNi2
_chemical_formula_sum   'Hf1 Nb1 Ni2'
_cell_volume   60.84
_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  0.89  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.45  0.81  0.45  1.0
  Ni  Ni3  1  0.45  0.19  0.45  1.0

data_HfNbNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   102.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbNi2
_chemical_formula_sum   'Hf1 Nb1 Ni2'
_cell_volume   60.84
_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  0.89  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.45  0.45  0.19  1.0
  Ni  Ni3  1  0.45  0.45  0.81  1.0

Hf Nb Ni Ni
HfNbNi2 crystallizes in the triclinic P1 space group. Hf(1) is bonded in a single-bond geometry to one Nb(1), two equivalent Ni(1), and two equivalent Ni(2) atoms. The Hf(1)-Nb(1) bond length is 0.49 Å. There is one shorter (2.45 Å) and one longer (2.61 Å) Hf(1)-Ni(1) bond length. There is one shorter (2.75 Å) and one longer (2.90 Å) Hf(1)-Ni(2) bond length. Nb(1) is bonded in a single-bond geometry to one Hf(1) and two equivalent Ni(2) atoms. There is one shorter (2.45 Å) and one longer (2.61 Å) Nb(1)-Ni(2) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and two equivalent Ni(2) atoms. There is one shorter (1.76 Å) and one longer (2.88 Å) Ni(1)-Ni(2) bond length. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Nb(1), two equivalent Ni(1), and two equivalent Ni(2) atoms. Both Ni(2)-Ni(2) bond lengths are 2.90 Å.