data_SiTc2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   144.41
_cell_angle_beta   129.15
_cell_angle_gamma   63.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTc2Ni
_chemical_formula_sum   'Si1 Tc2 Ni1'
_cell_volume   53.22
_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
  Si  Si1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.11  0.29  1.0
  Tc  Tc3  1  0.5  0.0  0.89  1.0
  Ni  Ni0  1  0.0  0.0  0.18  1.0

data_SiTc2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.23
_cell_length_c   4.92
_cell_angle_alpha   115.43
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTc2Ni
_chemical_formula_sum   'Si1 Tc2 Ni1'
_cell_volume   53.22
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.89  0.39  1.0
  Tc  Tc2  1  0.89  0.18  0.18  1.0
  Ni  Ni3  1  0.0  0.18  0.18  1.0

Si Tc Tc Ni
Si Tc Tc Ni 0 1 o o o 0 3 o o o 0 2 - o - 1 3 o o o 1 2 - o - 2 3 + o + 
Tc2NiSi crystallizes in the triclinic P1 space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a single-bond geometry to two equivalent Tc(2) and one Ni(1) atom. There is one shorter (1.87 Å) and one longer (2.73 Å) Tc(1)-Tc(2) bond length. The Tc(1)-Ni(1) bond length is 0.33 Å. In the second Tc site, Tc(2) is bonded in a 8-coordinate geometry to two equivalent Tc(1), two equivalent Tc(2), two equivalent Ni(1), and two equivalent Si(1) atoms. Both Tc(2)-Tc(2) bond lengths are 3.01 Å. There is one shorter (1.90 Å) and one longer (2.72 Å) Tc(2)-Ni(1) bond length. There is one shorter (2.15 Å) and one longer (2.84 Å) Tc(2)-Si(1) bond length. Ni(1) is bonded in a distorted single-bond geometry to one Tc(1), two equivalent Tc(2), and one Si(1) atom. The Ni(1)-Si(1) bond length is 0.91 Å. Si(1) is bonded in a single-bond geometry to two equivalent Tc(2) and one Ni(1) atom.