data_TlSbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34
_cell_length_b   8.34
_cell_length_c   8.34
_cell_angle_alpha   31.29
_cell_angle_beta   31.29
_cell_angle_gamma   31.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSbTe2
_chemical_formula_sum   'Tl1 Sb1 Te2'
_cell_volume   138.84
_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  0.0  0.89  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.21  1.0
  Te  Te2  1  0.0  0.0  0.57  1.0

data_TlSbTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.79
_cell_length_b   4.5
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   108.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlSbTe2
_chemical_formula_sum   'Tl2 Sb2 Te4'
_cell_volume   277.69
_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  0.11  1.0
  Sb  Sb1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.0  0.0  0.43  1.0
  Te  Te3  2  0.0  0.0  0.79  1.0

Tl Sb Te Te
Tl Sb Te Te 0 1 o o + 0 3 o o o 1 2 o o o 2 3 o o o 
TlSbTe2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TlSbTe2 clusters. Tl(1) is bonded in a distorted linear geometry to one Sb(1) and one Te(2) atom. The Tl(1)-Sb(1) bond length is 0.94 Å. The Tl(1)-Te(2) bond length is 2.66 Å. Sb(1) is bonded in a distorted linear geometry to one Tl(1) and one Te(1) atom. The Sb(1)-Te(1) bond length is 1.72 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted single-bond geometry to one Sb(1) atom. In the second Te site, Te(2) is bonded in a distorted single-bond geometry to one Tl(1) atom.