data_TiTcNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   3.19
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTcNi2
_chemical_formula_sum   'Ti1 Tc1 Ni2'
_cell_volume   51.97
_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
  Ti  Ti3  1  0.0  0.0  0.23  1.0
  Tc  Tc2  1  0.48  0.59  0.63  1.0
  Ni  Ni0  1  0.48  0.59  0.03  1.0
  Ni  Ni1  1  0.0  0.0  0.35  1.0

data_TiTcNi2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.19
_cell_length_b   2.97
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TiTcNi2
_chemical_formula_sum   'Ti1 Tc1 Ni2'
_cell_volume   51.97
_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
  Ti  Ti0  1  0.0  0.0  0.23  1.0
  Tc  Tc1  1  0.59  0.5  0.63  1.0
  Ni  Ni2  1  0.0  0.0  0.35  1.0
  Ni  Ni3  1  0.59  0.5  0.03  1.0

Ti Tc Ni Ni
Ti Tc Ni Ni 0 3 o o o 0 1 o - o 0 1 - - o 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 2 o o + 2 3 o + o 2 3 + + o 
TiTcNi2 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a single-bond geometry to one Ni(2) and four equivalent Ni(1) atoms. The Ti(1)-Ni(2) bond length is 0.64 Å. There are a spread of Ti(1)-Ni(1) bond distances ranging from 2.24-2.68 Å. Tc(1) is bonded in a 3-coordinate geometry to one Ni(1) and two equivalent Ni(2) atoms. The Tc(1)-Ni(1) bond length is 2.21 Å. There is one shorter (2.47 Å) and one longer (2.52 Å) Tc(1)-Ni(2) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to four equivalent Ti(1) and one Tc(1) atom. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one Ti(1) and two equivalent Tc(1) atoms.