data_Hf2TcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TcNi
_chemical_formula_sum   'Hf2 Tc1 Ni1'
_cell_volume   67.15
_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  0.63  0.63  0.73  1.0
  Hf  Hf1  1  0.63  0.63  0.57  1.0
  Tc  Tc3  1  0.0  0.0  0.15  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_Hf2TcNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2TcNi
_chemical_formula_sum   'Hf4 Tc2 Ni2'
_cell_volume   134.3
_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  0.13  0.5  0.57  1.0
  Hf  Hf1  2  0.13  0.5  0.73  1.0
  Tc  Tc2  2  0.0  0.0  0.15  1.0
  Ni  Ni3  2  0.0  0.0  0.0  1.0

Hf Hf Tc Ni
Hf Hf Tc Ni 0 1 o o o 2 3 o o o 
Hf2TcNi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Hf2TcNi clusters. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 2-coordinate geometry to one Hf(2) and one Ni(1) atom. The Hf(1)-Hf(2) bond length is 0.95 Å. The Hf(1)-Ni(1) bond length is 2.42 Å. In the second Hf site, Hf(2) is bonded in a distorted single-bond geometry to one Hf(1) atom. Tc(1) is bonded in a distorted single-bond geometry to one Ni(1) atom. The Tc(1)-Ni(1) bond length is 0.95 Å. Ni(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Tc(1) atom.