data_Tl5Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Mo3
_chemical_formula_sum   'Tl5 Mo3'
_cell_volume   190.02
_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  0.93  0.0  0.0  1.0
  Tl  Tl4  1  0.46  0.07  0.0  1.0
  Tl  Tl5  1  0.46  0.93  0.0  1.0
  Tl  Tl6  1  0.49  0.0  0.65  1.0
  Tl  Tl7  1  0.36  0.0  0.65  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.93  0.79  0.65  1.0
  Mo  Mo2  1  0.93  0.21  0.65  1.0

data_Tl5Mo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   7.66
_cell_length_c   7.66
_cell_angle_alpha   99.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Mo3
_chemical_formula_sum   'Tl5 Mo3'
_cell_volume   190.02
_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  Tl0  1  0.0  0.93  0.0  1.0
  Tl  Tl1  1  0.0  0.46  0.07  1.0
  Tl  Tl2  1  0.0  0.46  0.93  1.0
  Tl  Tl3  1  0.65  0.36  0.0  1.0
  Tl  Tl4  1  0.65  0.49  0.0  1.0
  Mo  Mo5  1  0.0  0.0  0.0  1.0
  Mo  Mo6  1  0.65  0.93  0.21  1.0
  Mo  Mo7  1  0.65  0.93  0.79  1.0

Tl Tl Tl Tl Tl Mo Mo Mo
Mo3Tl(Tl)4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two dithallium molecules and one Mo3Tl cluster. In the Mo3Tl cluster, there are three 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 0.54 Å. In the second Mo site, Mo(2) is bonded in a 1-coordinate geometry to one Tl(1) atom. The Mo(2)-Tl(1) bond length is 2.00 Å. In the third Mo site, Mo(3) is bonded in a 1-coordinate geometry to one Tl(1) atom. The Mo(3)-Tl(1) bond length is 2.00 Å. Tl(1) is bonded in a single-bond geometry to one Mo(1), one Mo(2), and one Mo(3) atom.