data_TlTeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.71
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   100.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTeBr2
_chemical_formula_sum   'Tl1 Te1 Br2'
_cell_volume   138.36
_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  0.62  0.0  0.27  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.73  0.36  0.07  1.0
  Br  Br1  1  0.52  0.36  0.47  1.0

data_TlTeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.71
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   100.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTeBr2
_chemical_formula_sum   'Tl1 Te1 Br2'
_cell_volume   138.36
_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  0.62  0.0  0.27  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.52  0.36  0.47  1.0
  Br  Br3  1  0.73  0.36  0.07  1.0

Tl Te Br Br
Tl Te Br Br 0 3 o o o 0 2 o o o 1 2 - o o 
TlTeBr2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TlTeBr2 cluster. Tl(1) is bonded in a 2-coordinate geometry to one Br(1) and one Br(2) atom. The Tl(1)-Br(1) bond length is 2.24 Å. The Tl(1)-Br(2) bond length is 2.24 Å. Te(1) is bonded in a distorted single-bond geometry to one Br(1) atom. The Te(1)-Br(1) bond length is 2.18 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to one Tl(1) and one Te(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Tl(1) atom.