data_AlTlMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54
_cell_length_b   9.54
_cell_length_c   9.54
_cell_angle_alpha   17.78
_cell_angle_beta   17.78
_cell_angle_gamma   17.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlMo2
_chemical_formula_sum   'Al1 Tl1 Mo2'
_cell_volume   70.56
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.07  1.0
  Mo  Mo1  1  0.0  0.0  0.17  1.0
  Mo  Mo2  1  0.0  0.0  0.98  1.0

data_AlTlMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.1
_cell_length_b   2.95
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   100.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlTlMo2
_chemical_formula_sum   'Al2 Tl2 Mo4'
_cell_volume   141.13
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  -0.0  0.0  0.93  1.0
  Mo  Mo2  2  -0.0  0.0  0.83  1.0
  Mo  Mo3  2  -0.0  0.0  0.02  1.0

Al Tl Mo Mo
Mo2TlAl is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mo2TlAl clusters. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one Tl(1) atom. The Mo(1)-Tl(1) bond length is 0.92 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Al(1) atom. The Mo(2)-Al(1) bond length is 0.21 Å. Tl(1) is bonded in a linear geometry to one Mo(1) and one Al(1) atom. The Tl(1)-Al(1) bond length is 0.71 Å. Al(1) is bonded in a distorted single-bond geometry to one Mo(2) and one Tl(1) atom.