data_ScMnTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36
_cell_length_b   9.36
_cell_length_c   9.36
_cell_angle_alpha   20.89
_cell_angle_beta   20.89
_cell_angle_gamma   20.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnTl2
_chemical_formula_sum   'Sc1 Mn1 Tl2'
_cell_volume   91.25
_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  Sc1  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.0  0.0  0.73  1.0
  Tl  Tl2  1  0.0  0.0  0.71  1.0
  Tl  Tl3  1  0.0  0.0  0.74  1.0

data_ScMnTl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   3.39
_cell_length_c   9.36
_cell_angle_alpha   90.0
_cell_angle_beta   102.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScMnTl2
_chemical_formula_sum   'Sc2 Mn2 Tl4'
_cell_volume   182.5
_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
  Mn  Mn1  2  0.0  0.0  0.27  1.0
  Tl  Tl2  2  0.0  0.0  0.26  1.0
  Tl  Tl3  2  0.0  0.0  0.29  1.0

Sc Mn Tl Tl
ScMnTl2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScMnTl2 clusters. Sc(1) is bonded in a single-bond geometry to one Tl(2) atom. The Sc(1)-Tl(2) bond length is 2.47 Å. Mn(1) is bonded in a linear geometry to one Tl(1) and one Tl(2) atom. The Mn(1)-Tl(1) bond length is 0.10 Å. The Mn(1)-Tl(2) bond length is 0.10 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Mn(1) atom. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Sc(1) and one Mn(1) atom.