data_HfNbTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbTc2
_chemical_formula_sum   'Hf1 Nb1 Tc2'
_cell_volume   67.12
_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  0.0  0.23  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.61  0.61  0.56  1.0
  Tc  Tc3  1  0.61  0.61  0.9  1.0

data_HfNbTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfNbTc2
_chemical_formula_sum   'Hf2 Nb2 Tc4'
_cell_volume   134.23
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.23  1.0
  Nb  Nb1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.11  0.5  0.56  1.0
  Tc  Tc3  2  0.11  0.5  0.9  1.0

Hf Nb Tc Tc
HfNbTc2 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a distorted single-bond geometry to one Nb(1) and three equivalent Tc(1) atoms. The Hf(1)-Nb(1) bond length is 1.47 Å. There is one shorter (2.76 Å) and two longer (3.16 Å) Hf(1)-Tc(1) bond lengths. Nb(1) is bonded in a 2-coordinate geometry to one Hf(1) and four equivalent Tc(2) atoms. There are a spread of Nb(1)-Tc(2) bond distances ranging from 1.88-2.87 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 4-coordinate geometry to three equivalent Hf(1) and one Tc(2) atom. The Tc(1)-Tc(2) bond length is 2.21 Å. In the second Tc site, Tc(2) is bonded in a 5-coordinate geometry to four equivalent Nb(1) and one Tc(1) atom.