data_TlSiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiB2
_chemical_formula_sum   'Tl1 Si1 B2'
_cell_volume   61.26
_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  0.39  0.39  0.24  1.0
  Si  Si2  1  0.0  0.0  0.22  1.0
  B  B0  1  0.0  0.0  0.18  1.0
  B  B1  1  0.39  0.39  0.23  1.0

data_TlSiB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlSiB2
_chemical_formula_sum   'Tl2 Si2 B4'
_cell_volume   122.51
_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  0.39  0.0  0.24  1.0
  Si  Si1  2  0.0  0.0  0.22  1.0
  B  B2  2  0.0  0.0  0.18  1.0
  B  B3  2  0.39  0.0  0.23  1.0

Tl Si B B
TlBBSi is alpha carbon monoxide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two boron silicide (b4si) molecules and two TlB clusters. In each TlB cluster, Tl(1) is bonded in a single-bond geometry to one B(2) atom. The Tl(1)-B(2) bond length is 0.08 Å. B(2) is bonded in a single-bond geometry to one Tl(1) atom.