data_Li2FeTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.44
_cell_length_b   2.44
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeTc
_chemical_formula_sum   'Li2 Fe1 Tc1'
_cell_volume   50.92
_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
  Li  Li1  1  0.44  0.0  0.23  1.0
  Li  Li2  1  0.44  0.0  0.71  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.47  1.0

data_Li2FeTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.44
_cell_length_b   2.44
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeTc
_chemical_formula_sum   'Li2 Fe1 Tc1'
_cell_volume   50.92
_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
  Li  Li0  1  0.44  0.0  0.23  1.0
  Li  Li1  1  0.44  0.0  0.71  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.47  1.0

Li Li Fe Tc
Li Li Fe Tc 0 2 o o o 0 2 + o o 0 0 o + o 0 0 + o o 0 3 o o o 0 3 + o o 1 1 + + o 1 1 o + o 1 1 + o o 1 3 o o o 1 3 + o o 1 2 o o + 1 2 + o + 2 2 + + o 2 2 o + o 2 2 + o o 3 3 + + o 3 3 o + o 3 3 + o o 
Li2TcFe crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent Tc(1) and two equivalent Fe(1) atoms. There is one shorter (2.42 Å) and one longer (2.56 Å) Li(1)-Tc(1) bond length. There is one shorter (2.31 Å) and one longer (2.45 Å) Li(1)-Fe(1) bond length. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to four equivalent Li(2), two equivalent Tc(1), and two equivalent Fe(1) atoms. All Li(2)-Li(2) bond lengths are 2.44 Å. There is one shorter (2.42 Å) and one longer (2.56 Å) Li(2)-Tc(1) bond length. There is one shorter (2.79 Å) and one longer (2.90 Å) Li(2)-Fe(1) bond length. Tc(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Li(2) atoms. Fe(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and four equivalent Fe(1) atoms. All Fe(1)-Fe(1) bond lengths are 2.44 Å.