data_ScTl2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2Te
_chemical_formula_sum   'Sc1 Tl2 Te1'
_cell_volume   110.08
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.19  0.0  0.86  1.0
  Tl  Tl3  1  0.0  0.19  0.86  1.0
  Te  Te1  1  0.19  0.19  0.0  1.0

data_ScTl2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTl2Te
_chemical_formula_sum   'Sc2 Tl4 Te2'
_cell_volume   220.16
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  4  0.1  0.1  0.86  1.0
  Te  Te2  2  0.19  0.0  0.0  1.0

Sc Tl Tl Te
ScTl2Te is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScTl2Te clusters. Sc(1) is bonded in a 3-coordinate geometry to two equivalent Tl(1) and one Te(1) atom. Both Sc(1)-Tl(1) bond lengths are 1.15 Å. The Sc(1)-Te(1) bond length is 1.19 Å. Tl(1) is bonded in a 2-coordinate geometry to one Sc(1) and one Te(1) atom. The Tl(1)-Te(1) bond length is 1.15 Å. Te(1) is bonded in a 3-coordinate geometry to one Sc(1) and two equivalent Tl(1) atoms.