data_TlIn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   4.6
_cell_angle_alpha   107.54
_cell_angle_beta   107.54
_cell_angle_gamma   24.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Fe
_chemical_formula_sum   'Tl1 In2 Fe1'
_cell_volume   93.04
_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
  Tl  Tl3  1  0.52  0.0  0.88  1.0
  In  In1  1  0.91  0.0  0.34  1.0
  In  In2  1  0.48  0.0  0.28  1.0
  Fe  Fe0  1  0.18  0.0  0.07  1.0

data_TlIn2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.6
_cell_length_c   7.23
_cell_angle_alpha   107.54
_cell_angle_beta   102.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Fe
_chemical_formula_sum   'Tl1 In2 Fe1'
_cell_volume   93.04
_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
  Tl  Tl0  1  0.0  0.88  0.52  1.0
  In  In1  1  0.0  0.28  0.48  1.0
  In  In2  1  0.0  0.34  0.91  1.0
  Fe  Fe3  1  0.0  0.07  0.18  1.0

Tl In In Fe
FeTlIn2 crystallizes in the triclinic P1 space group. Fe(1) is bonded in a 2-coordinate geometry to one In(2) and two equivalent In(1) atoms. The Fe(1)-In(2) bond length is 2.05 Å. There is one shorter (2.64 Å) and one longer (3.34 Å) Fe(1)-In(1) bond length. Tl(1) is bonded in a 1-coordinate geometry to one In(1) and two equivalent In(2) atoms. The Tl(1)-In(1) bond length is 2.95 Å. There is one shorter (1.98 Å) and one longer (2.67 Å) Tl(1)-In(2) bond length. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1), one Tl(1), one In(2), and two equivalent In(1) atoms. The In(1)-In(2) bond length is 3.06 Å. Both In(1)-In(1) bond lengths are 3.01 Å. In the second In site, In(2) is bonded in a 3-coordinate geometry to one Fe(1), two equivalent Tl(1), and one In(1) atom.