data_NbTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49
_cell_length_b   9.49
_cell_length_c   9.49
_cell_angle_alpha   160.27
_cell_angle_beta   159.5
_cell_angle_gamma   28.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTc2
_chemical_formula_sum   'Nb2 Tc4'
_cell_volume   100.82
_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
  Nb  Nb0  1  0.0  0.84  0.48  1.0
  Nb  Nb1  1  0.63  0.84  0.71  1.0
  Tc  Tc2  1  0.0  0.84  0.89  1.0
  Tc  Tc3  1  0.63  0.84  0.31  1.0
  Tc  Tc4  1  0.0  0.84  0.66  1.0
  Tc  Tc5  1  0.63  0.84  0.53  1.0

data_NbTc2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.25
_cell_length_b   3.37
_cell_length_c   9.49
_cell_angle_alpha   100.25
_cell_angle_beta   99.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbTc2
_chemical_formula_sum   'Nb2 Tc4'
_cell_volume   100.82
_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
  Nb  Nb0  2  0.3  0.12  0.3  1.0
  Tc  Tc1  2  0.1  0.29  0.1  1.0
  Tc  Tc2  2  0.12  0.94  0.12  1.0

Nb Nb Tc Tc Tc Tc
NbTc2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two NbTc2 clusters. Nb(1) is bonded in a distorted single-bond geometry to one Tc(2) atom. The Nb(1)-Tc(2) bond length is 1.70 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a distorted single-bond geometry to one Tc(2) atom. The Tc(1)-Tc(2) bond length is 1.25 Å. In the second Tc site, Tc(2) is bonded in a distorted L-shaped geometry to one Nb(1) and one Tc(1) atom.