data_Tl2FeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeTe
_chemical_formula_sum   'Tl2 Fe1 Te1'
_cell_volume   102.26
_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  Tl2  1  0.99  0.99  0.93  1.0
  Tl  Tl3  1  0.99  0.99  0.5  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.22  1.0

data_Tl2FeTe
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   Tl2FeTe
_chemical_formula_sum   'Tl2 Fe1 Te1'
_cell_volume   102.26
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  0.0  0.5  1.0
  Tl  Tl1  1  0.0  0.0  0.93  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.22  1.0

Tl Tl Fe Te
FeTl2Te is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two FeTl2Te clusters. Fe(1) is bonded in a linear geometry to one Tl(1) and one Te(1) atom. The Fe(1)-Tl(1) bond length is 0.42 Å. The Fe(1)-Te(1) bond length is 1.38 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Te(1) atom. The Tl(2)-Te(1) bond length is 1.81 Å. Te(1) is bonded in a linear geometry to one Fe(1) and one Tl(2) atom.