data_TlHgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   128.75
_cell_angle_beta   100.83
_cell_angle_gamma   100.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHgB2
_chemical_formula_sum   'Tl1 Hg1 B2'
_cell_volume   80.06
_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  0.0  0.09  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.15  0.09  1.0
  B  B1  1  0.1  0.94  0.0  1.0

data_TlHgB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   79.17
_cell_angle_beta   64.37
_cell_angle_gamma   64.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHgB2
_chemical_formula_sum   'Tl1 Hg1 B2'
_cell_volume   80.06
_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  0.09  0.0  0.91  1.0
  Hg  Hg1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.15  0.0  0.94  1.0
  B  B3  1  0.94  0.9  0.06  1.0

Tl Hg B B
HgTlB2 is Protactinium structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HgTlB2 cluster. Hg(1) is bonded in a 1-coordinate geometry to one Tl(1) and one B(2) atom. The Hg(1)-Tl(1) bond length is 0.43 Å. The Hg(1)-B(2) bond length is 0.61 Å. Tl(1) is bonded in an L-shaped geometry to one Hg(1) and one B(1) atom. The Tl(1)-B(1) bond length is 0.35 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one Tl(1) atom. In the second B site, B(2) is bonded in a single-bond geometry to one Hg(1) atom.