data_TlTe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   4.42
_cell_angle_alpha   107.44
_cell_angle_beta   107.44
_cell_angle_gamma   37.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTe2As
_chemical_formula_sum   'Tl1 Te2 As1'
_cell_volume   121.31
_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  0.84  0.0  0.1  1.0
  Te  Te1  1  0.68  0.0  0.97  1.0
  Te  Te2  1  0.0  0.0  0.22  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_TlTe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   6.9
_cell_angle_alpha   108.69
_cell_angle_beta   107.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTe2As
_chemical_formula_sum   'Tl1 Te2 As1'
_cell_volume   121.31
_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  0.9  0.0  0.16  1.0
  Te  Te1  1  0.03  0.0  0.32  1.0
  Te  Te2  1  0.78  0.0  1.0  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Tl Te Te As
Tl Te Te As 0 1 o o - 0 3 + o o 0 2 + o o 2 3 o o o 
TlAsTe2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TlAsTe2 cluster. Tl(1) is bonded in a 3-coordinate geometry to one As(1), one Te(1), and one Te(2) atom. The Tl(1)-As(1) bond length is 1.30 Å. The Tl(1)-Te(1) bond length is 1.10 Å. The Tl(1)-Te(2) bond length is 1.10 Å. As(1) is bonded in a 2-coordinate geometry to one Tl(1) and one Te(2) atom. The As(1)-Te(2) bond length is 0.97 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a single-bond geometry to one Tl(1) atom. In the second Te site, Te(2) is bonded in a distorted L-shaped geometry to one Tl(1) and one As(1) atom.