data_MgTl2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   10.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTl2Te
_chemical_formula_sum   'Mg1 Tl2 Te1'
_cell_volume   117.97
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.03  0.0  0.18  1.0
  Tl  Tl3  1  0.03  0.0  0.64  1.0
  Te  Te1  1  0.0  0.0  0.41  1.0

data_MgTl2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   10.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTl2Te
_chemical_formula_sum   'Mg1 Tl2 Te1'
_cell_volume   117.97
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.03  0.0  0.18  1.0
  Tl  Tl2  1  0.03  0.0  0.64  1.0
  Te  Te3  1  0.0  0.0  0.41  1.0

Mg Tl Tl Te
Mg Tl Tl Te 0 1 o o o 1 3 o o o 2 3 o o o 
MgTl2Te crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgTl2Te cluster. Mg(1) is bonded in a single-bond geometry to one Tl(1) atom. The Mg(1)-Tl(1) bond length is 1.93 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a linear geometry to one Mg(1) and one Te(1) atom. The Tl(1)-Te(1) bond length is 2.48 Å. 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 2.48 Å. Te(1) is bonded in a linear geometry to one Tl(1) and one Tl(2) atom.