data_Tl3B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33
_cell_length_b   8.33
_cell_length_c   8.33
_cell_angle_alpha   26.93
_cell_angle_beta   26.93
_cell_angle_gamma   26.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3B2
_chemical_formula_sum   'Tl3 B2'
_cell_volume   104.57
_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  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.36  1.0
  Tl  Tl4  1  0.0  0.0  0.71  1.0
  B  B0  1  0.0  0.0  0.62  1.0
  B  B1  1  0.0  0.0  0.45  1.0

data_Tl3B2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.72
_cell_length_b   3.88
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   105.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl3B2
_chemical_formula_sum   'Tl6 B4'
_cell_volume   209.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.29  1.0
  Tl  Tl2  2  0.0  0.0  0.64  1.0
  B  B3  2  -0.0  0.0  0.38  1.0
  B  B4  2  0.0  0.0  0.55  1.0

Tl Tl Tl B B
Tl Tl Tl B B 0 2 o o - 1 4 o o o 2 3 o o o 
Tl3B2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Tl3B2 clusters. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a linear geometry to one Tl(2) and one Tl(3) atom. The Tl(1)-Tl(2) bond length is 2.99 Å. The Tl(1)-Tl(3) bond length is 2.41 Å. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Tl(1) and one B(1,2) atom. The Tl(2)-B(1,2) bond length is 0.74 Å. In the third Tl site, Tl(3) is bonded in a single-bond geometry to one Tl(1) and one B(1,2) atom. The Tl(3)-B(1,2) bond length is 0.74 Å. B(1,2) is bonded in a distorted single-bond geometry to one Tl(3) atom.