data_TlSb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.69
_cell_length_b   10.69
_cell_length_c   10.69
_cell_angle_alpha   18.11
_cell_angle_beta   18.11
_cell_angle_gamma   18.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSb2Mo
_chemical_formula_sum   'Tl1 Sb2 Mo1'
_cell_volume   103.22
_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
  Tl  Tl3  1  0.0  0.0  0.77  1.0
  Sb  Sb1  1  0.0  0.0  0.53  1.0
  Sb  Sb2  1  0.0  0.0  0.02  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_TlSb2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.83
_cell_length_b   3.37
_cell_length_c   10.69
_cell_angle_alpha   90.0
_cell_angle_beta   100.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlSb2Mo
_chemical_formula_sum   'Tl2 Sb4 Mo2'
_cell_volume   206.45
_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
  Tl  Tl0  2  -0.0  0.0  0.23  1.0
  Sb  Sb1  2  -0.0  0.0  0.98  1.0
  Sb  Sb2  2  -0.0  0.0  0.47  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Tl Sb Sb Mo
MoTlSb2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MoTlSb2 clusters. Mo(1) is bonded in a single-bond geometry to one Tl(1) and one Sb(2) atom. The Mo(1)-Tl(1) bond length is 2.41 Å. The Mo(1)-Sb(2) bond length is 0.19 Å. Tl(1) is bonded in a linear geometry to one Mo(1) and one Sb(1) atom. The Tl(1)-Sb(1) bond length is 2.60 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Tl(1) atom. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Mo(1) atom.