data_TlBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   5.77
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   91.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBi
_chemical_formula_sum   'Tl2 Bi2'
_cell_volume   126.19
_cell_formula_units_Z   2
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  Tl2  1  0.22  0.33  0.8  1.0
  Tl  Tl3  1  0.96  0.44  0.71  1.0
  Bi  Bi0  1  0.07  0.33  0.04  1.0
  Bi  Bi1  1  0.12  0.44  0.47  1.0

data_TlBi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.36
_cell_length_b   5.77
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   91.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlBi
_chemical_formula_sum   'Tl2 Bi2'
_cell_volume   126.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
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  2  0.13  0.94  0.54  1.0
  Bi  Bi1  2  0.03  0.06  0.22  1.0

Tl Tl Bi Bi
TlBi crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one TlBi cluster. Tl(1) is bonded in a distorted water-like geometry to one Tl(1) and one Bi(1) atom. The Tl(1)-Tl(1) bond length is 1.23 Å. The Tl(1)-Bi(1) bond length is 1.67 Å. Bi(1) is bonded in a single-bond geometry to one Tl(1) atom.