data_FeTcNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48
_cell_length_b   8.48
_cell_length_c   8.48
_cell_angle_alpha   17.58
_cell_angle_beta   17.58
_cell_angle_gamma   17.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTcNi2
_chemical_formula_sum   'Fe1 Tc1 Ni2'
_cell_volume   48.6
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.52  1.0
  Ni  Ni1  1  0.0  0.0  0.32  1.0
  Ni  Ni2  1  0.0  0.0  0.73  1.0

data_FeTcNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   2.59
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   100.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeTcNi2
_chemical_formula_sum   'Fe2 Tc2 Ni4'
_cell_volume   97.19
_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
  Fe  Fe0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.48  1.0
  Ni  Ni2  2  0.0  0.0  0.27  1.0
  Ni  Ni3  2  0.0  0.0  0.68  1.0

Fe Tc Ni Ni
TcFeNi2 crystallizes in the monoclinic Cm space group. Tc(1) is bonded in a linear geometry to one Ni(1) and one Ni(2) atom. The Tc(1)-Ni(1) bond length is 1.71 Å. The Tc(1)-Ni(2) bond length is 1.71 Å. Fe(1) is bonded in a 8-coordinate geometry to six equivalent Fe(1), one Ni(1), and one Ni(2) atom. All Fe(1)-Fe(1) bond lengths are 2.59 Å. The Fe(1)-Ni(1) bond length is 2.74 Å. The Fe(1)-Ni(2) bond length is 2.32 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to one Tc(1) and one Fe(1) atom. In the second Ni site, Ni(2) is bonded in a distorted linear geometry to one Tc(1) and one Fe(1) atom.