data_ScTiTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   148.99
_cell_angle_beta   148.99
_cell_angle_gamma   44.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiTl
_chemical_formula_sum   'Sc1 Ti1 Tl1'
_cell_volume   64.71
_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  0.49  1.0
  Ti  Ti1  1  0.0  0.0  0.86  1.0
  Tl  Tl2  1  0.0  0.0  0.8  1.0

data_ScTiTl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   112.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTiTl
_chemical_formula_sum   'Sc2 Ti2 Tl2'
_cell_volume   129.42
_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  0.51  1.0
  Ti  Ti1  2  0.0  0.0  0.14  1.0
  Tl  Tl2  2  0.0  0.0  0.2  1.0

Sc Ti Tl
Sc Ti Tl 0 2 o o o 0 1 o o o 1 2 o o o 
ScTiTl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScTiTl clusters. Sc(1) is bonded in a single-bond geometry to one Tl(1) atom. The Sc(1)-Tl(1) bond length is 1.94 Å. Ti(1) is bonded in a single-bond geometry to one Tl(1) atom. The Ti(1)-Tl(1) bond length is 0.38 Å. Tl(1) is bonded in a distorted linear geometry to one Sc(1) and one Ti(1) atom.