data_ScTl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.02
_cell_angle_alpha   106.97
_cell_angle_beta   106.97
_cell_angle_gamma   40.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2Tc
_chemical_formula_sum   'Sc1 Tl2 Tc1'
_cell_volume   83.29
_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  0.97  0.0  0.28  1.0
  Tl  Tl3  1  0.19  0.0  0.49  1.0
  Tc  Tc1  1  0.08  0.0  0.38  1.0

data_ScTl2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.02
_cell_length_c   5.18
_cell_angle_alpha   106.97
_cell_angle_beta   110.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2Tc
_chemical_formula_sum   'Sc1 Tl2 Tc1'
_cell_volume   83.29
_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  Tl1  1  0.0  0.28  0.97  1.0
  Tl  Tl2  1  0.0  0.49  0.19  1.0
  Tc  Tc3  1  0.0  0.38  0.08  1.0

Sc Tl Tl Tc
Sc Tl Tl Tc 0 1 - o o 1 3 + o o 2 3 o o o 
ScTcTl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScTcTl2 cluster. Sc(1) is bonded in a distorted single-bond geometry to one Tl(1) atom. The Sc(1)-Tl(1) bond length is 1.45 Å. Tc(1) is bonded in a linear geometry to one Tl(1) and one Tl(2) atom. The Tc(1)-Tl(1) bond length is 0.67 Å. The Tc(1)-Tl(2) bond length is 0.67 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted bent 120 degrees geometry to one Sc(1) and one Tc(1) atom. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Tc(1) atom.