data_InFe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63
_cell_length_b   8.63
_cell_length_c   8.63
_cell_angle_alpha   18.52
_cell_angle_beta   18.52
_cell_angle_gamma   18.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFe2Tc
_chemical_formula_sum   'In1 Fe2 Tc1'
_cell_volume   56.67
_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
  In  In2  1  0.0  0.0  0.72  1.0
  Fe  Fe0  1  0.0  0.0  0.94  1.0
  Fe  Fe1  1  0.0  0.0  0.5  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_InFe2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   2.78
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   100.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InFe2Tc
_chemical_formula_sum   'In2 Fe4 Tc2'
_cell_volume   113.34
_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
  In  In0  2  0.0  0.0  0.28  1.0
  Fe  Fe1  2  0.0  0.0  0.06  1.0
  Fe  Fe2  2  0.0  0.0  0.5  1.0
  Tc  Tc3  2  0.0  0.0  0.0  1.0

In Fe Fe Tc
In Fe Fe Tc 0 2 o o o 0 1 o o o 1 3 o o + 
TcFe2In crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TcFe2In clusters. Tc(1) is bonded in a single-bond geometry to one Fe(1) atom. The Tc(1)-Fe(1) bond length is 0.52 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Tc(1) and one In(1) atom. The Fe(1)-In(1) bond length is 1.88 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one In(1) atom. The Fe(2)-In(1) bond length is 1.88 Å. In(1) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom.