data_NbTc2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTc2Ru
_chemical_formula_sum   'Nb1 Tc2 Ru1'
_cell_volume   61.52
_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  0.0  1.0
  Tc  Tc2  1  0.91  0.0  0.96  1.0
  Tc  Tc3  1  0.91  0.0  0.23  1.0
  Ru  Ru1  1  0.0  0.0  0.09  1.0

data_NbTc2Ru
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbTc2Ru
_chemical_formula_sum   'Nb1 Tc2 Ru1'
_cell_volume   61.54
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.91  0.0  0.23  1.0
  Tc  Tc2  1  0.91  0.0  0.96  1.0
  Ru  Ru3  1  0.0  0.0  0.09  1.0

Nb Tc Tc Ru
NbTc2Ru crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one NbTc2Ru cluster. Nb(1) is bonded in a bent 150 degrees geometry to one Tc(1) and one Ru(1) atom. The Nb(1)-Tc(1) bond length is 0.41 Å. The Nb(1)-Ru(1) bond length is 0.76 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a single-bond geometry to one Nb(1) atom. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Ru(1) atom. The Tc(2)-Ru(1) bond length is 1.11 Å. Ru(1) is bonded in a distorted linear geometry to one Nb(1) and one Tc(2) atom.