data_Nb2TcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   134.47
_cell_angle_beta   134.47
_cell_angle_gamma   66.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TcNi
_chemical_formula_sum   'Nb2 Tc1 Ni1'
_cell_volume   61.75
_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  0.16  1.0
  Nb  Nb1  1  0.0  0.93  0.08  1.0
  Tc  Tc3  1  0.93  0.0  0.08  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_Nb2TcNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   4.98
_cell_angle_alpha   112.76
_cell_angle_beta   112.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TcNi
_chemical_formula_sum   'Nb2 Tc1 Ni1'
_cell_volume   61.75
_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  0.84  0.0  0.84  1.0
  Nb  Nb1  1  0.84  0.93  0.84  1.0
  Tc  Tc2  1  0.92  0.0  0.84  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Nb Nb Tc Ni
Nb Nb Tc Ni 0 2 - o o 0 1 o - o 0 3 o o o 1 3 o + o 2 3 + o o 
Nb2TcNi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Nb2TcNi cluster. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted L-shaped geometry to one Nb(2) and one Tc(1) atom. The Nb(1)-Nb(2) bond length is 0.30 Å. The Nb(1)-Tc(1) bond length is 0.30 Å. In the second Nb site, Nb(2) is bonded in a distorted T-shaped geometry to one Nb(1), one Tc(1), and one Ni(1) atom. The Nb(2)-Tc(1) bond length is 0.41 Å. The Nb(2)-Ni(1) bond length is 0.72 Å. Tc(1) is bonded in a 1-coordinate geometry to one Nb(1), one Nb(2), and one Ni(1) atom. The Tc(1)-Ni(1) bond length is 0.72 Å. Ni(1) is bonded in a 2-coordinate geometry to one Nb(2) and one Tc(1) atom.