data_Tl3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   5.0
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3In
_chemical_formula_sum   'Tl3 In1'
_cell_volume   118.72
_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  Tl1  1  0.72  0.5  0.22  1.0
  Tl  Tl2  1  0.0  0.0  0.46  1.0
  Tl  Tl3  1  0.72  0.5  0.7  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_Tl3In
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.43
_cell_length_b   5.0
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Tl3In
_chemical_formula_sum   'Tl3 In1'
_cell_volume   118.72
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.46  1.0
  Tl  Tl1  1  0.72  0.5  0.22  1.0
  Tl  Tl2  1  0.72  0.5  0.7  1.0
  In  In3  1  0.0  0.0  0.0  1.0

Tl Tl Tl In
Tl3In crystallizes in the monoclinic Pm space group. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 2-coordinate geometry to two equivalent Tl(2), two equivalent Tl(3), and two equivalent In(1) atoms. Both Tl(1)-Tl(2) bond lengths are 3.16 Å. There is one shorter (3.32 Å) and one longer (3.59 Å) Tl(1)-Tl(3) bond length. Both Tl(1)-In(1) bond lengths are 3.08 Å. In the second Tl site, Tl(2) is bonded in a 7-coordinate geometry to two equivalent Tl(1), two equivalent Tl(2), two equivalent Tl(3), and one In(1) atom. Both Tl(2)-Tl(2) bond lengths are 3.43 Å. Both Tl(2)-Tl(3) bond lengths are 3.16 Å. The Tl(2)-In(1) bond length is 3.17 Å. In the third Tl site, Tl(3) is bonded in a 8-coordinate geometry to two equivalent Tl(1), two equivalent Tl(2), two equivalent Tl(3), and two equivalent In(1) atoms. Both Tl(3)-Tl(3) bond lengths are 3.43 Å. Both Tl(3)-In(1) bond lengths are 3.40 Å. In(1) is bonded in a 7-coordinate geometry to one Tl(2), two equivalent Tl(1), two equivalent Tl(3), and two equivalent In(1) atoms. Both In(1)-In(1) bond lengths are 3.43 Å.