data_NbTcNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTcNi2
_chemical_formula_sum   'Nb1 Tc1 Ni2'
_cell_volume   54.14
_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  0.0  0.77  1.0
  Tc  Tc3  1  0.82  0.0  0.07  1.0
  Ni  Ni1  1  0.82  0.0  0.52  1.0
  Ni  Ni2  1  0.0  0.0  0.81  1.0

data_NbTcNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTcNi2
_chemical_formula_sum   'Nb1 Tc1 Ni2'
_cell_volume   54.14
_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  0.0  0.77  1.0
  Tc  Tc1  1  0.82  0.0  0.07  1.0
  Ni  Ni2  1  0.0  0.0  0.81  1.0
  Ni  Ni3  1  0.82  0.0  0.52  1.0

Nb Tc Ni Ni
NbTcNi2 is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbTcNi2 cluster. Nb(1) is bonded in a single-bond geometry to one Ni(1) and one Ni(2) atom. The Nb(1)-Ni(1) bond length is 1.94 Å. The Nb(1)-Ni(2) bond length is 0.38 Å. Tc(1) is bonded in a distorted single-bond geometry to one Ni(2) atom. The Tc(1)-Ni(2) bond length is 2.02 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one Nb(1) atom. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one Nb(1) and one Tc(1) atom.