data_ScTl2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2Mo
_chemical_formula_sum   'Sc1 Tl2 Mo1'
_cell_volume   83.27
_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
  Tl  Tl2  1  0.0  0.16  0.23  1.0
  Tl  Tl3  1  0.16  0.0  0.23  1.0
  Mo  Mo0  1  0.16  0.16  0.0  1.0

data_ScTl2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTl2Mo
_chemical_formula_sum   'Sc2 Tl4 Mo2'
_cell_volume   166.53
_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  0.08  0.08  0.23  1.0
  Mo  Mo2  2  0.16  0.0  0.0  1.0

Sc Tl Tl Mo
Sc Tl Tl Mo 0 3 o o o 1 2 o o o 
ScMoTl2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScMoTl2 clusters. Sc(1) is bonded in a distorted single-bond geometry to one Mo(1) and two equivalent Tl(1) atoms. The Sc(1)-Mo(1) bond length is 0.97 Å. Both Sc(1)-Tl(1) bond lengths are 1.25 Å. Mo(1) is bonded in a 3-coordinate geometry to one Sc(1) and two equivalent Tl(1) atoms. Both Mo(1)-Tl(1) bond lengths are 1.25 Å. Tl(1) is bonded in a 3-coordinate geometry to one Sc(1), one Mo(1), and one Tl(1) atom. The Tl(1)-Tl(1) bond length is 0.97 Å.