data_TlSb2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.86
_cell_angle_alpha   109.9
_cell_angle_beta   109.9
_cell_angle_gamma   37.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSb2As
_chemical_formula_sum   'Tl1 Sb2 As1'
_cell_volume   116.29
_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  0.54  0.0  0.73  1.0
  Sb  Sb1  1  0.48  0.0  0.62  1.0
  Sb  Sb2  1  0.59  0.0  0.85  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_TlSb2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   5.86
_cell_length_c   5.9
_cell_angle_alpha   109.9
_cell_angle_beta   108.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSb2As
_chemical_formula_sum   'Tl1 Sb2 As1'
_cell_volume   116.29
_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  0.0  0.73  0.54  1.0
  Sb  Sb1  1  0.0  0.62  0.48  1.0
  Sb  Sb2  1  0.0  0.85  0.59  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Tl Sb Sb As
TlSb2As is Cyanogen Chloride-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TlSb2As cluster. Tl(1) is bonded in a linear geometry to one Sb(1) and one Sb(2) atom. The Tl(1)-Sb(1) bond length is 0.63 Å. The Tl(1)-Sb(2) bond length is 0.63 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Tl(1) atom. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Tl(1) and one As(1) atom. The Sb(2)-As(1) bond length is 2.29 Å. As(1) is bonded in a single-bond geometry to one Sb(2) atom.