data_Tl2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   141.89
_cell_angle_beta   141.89
_cell_angle_gamma   55.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TcBr
_chemical_formula_sum   'Tl2 Tc1 Br1'
_cell_volume   108.36
_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  Tl2  1  0.0  0.0  0.85  1.0
  Tl  Tl3  1  0.0  0.15  0.92  1.0
  Tc  Tc1  1  0.15  0.0  0.92  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Tl2TcBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   6.59
_cell_angle_alpha   109.06
_cell_angle_beta   109.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TcBr
_chemical_formula_sum   'Tl2 Tc1 Br1'
_cell_volume   108.36
_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  0.77  0.92  0.77  1.0
  Tl  Tl1  1  0.85  0.85  0.85  1.0
  Tc  Tc2  1  0.92  0.77  0.77  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Tl Tl Tc Br
Tl Tl Tc Br 0 1 o o o 0 2 o o o 0 3 o o + 
TcTl2Br is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TcTl2Br cluster. Tc(1) is bonded in a single-bond geometry to one Tl(1) atom. The Tc(1)-Tl(1) bond length is 0.68 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted trigonal non-coplanar geometry to one Tc(1), one Tl(2), and one Br(1) atom. The Tl(1)-Tl(2) bond length is 0.68 Å. The Tl(1)-Br(1) bond length is 1.01 Å. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one Tl(1) atom. Br(1) is bonded in a single-bond geometry to one Tl(1) atom.