data_LaTl2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   5.15
_cell_angle_alpha   114.23
_cell_angle_beta   114.23
_cell_angle_gamma   43.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Te
_chemical_formula_sum   'La1 Tl2 Te1'
_cell_volume   120.11
_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
  La  La0  1  0.57  0.0  0.26  1.0
  Tl  Tl2  1  0.09  0.0  0.56  1.0
  Tl  Tl3  1  0.1  0.0  0.5  1.0
  Te  Te1  1  0.95  0.0  0.22  1.0

data_LaTl2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   5.15
_cell_length_c   6.13
_cell_angle_alpha   114.23
_cell_angle_beta   111.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Te
_chemical_formula_sum   'La1 Tl2 Te1'
_cell_volume   120.11
_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
  La  La0  1  0.0  0.26  0.57  1.0
  Tl  Tl1  1  0.0  0.5  0.1  1.0
  Tl  Tl2  1  0.0  0.56  0.09  1.0
  Te  Te3  1  0.0  0.22  0.95  1.0

La Tl Tl Te
La Tl Tl Te 0 2 + o o 0 3 o o o 0 1 + o o 1 2 o o o 1 3 - o o 2 3 - o o 
LaTl2Te crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaTl2Te cluster. La(1) is bonded in a distorted single-bond geometry to one Te(1) atom. The La(1)-Te(1) bond length is 2.39 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one Tl(2) atom. The Tl(1)-Tl(2) bond length is 0.35 Å. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one Tl(1) and one Te(1) atom. The Tl(2)-Te(1) bond length is 1.33 Å. Te(1) is bonded in a distorted water-like geometry to one La(1) and one Tl(2) atom.