data_TlMo2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2Ru
_chemical_formula_sum   'Tl1 Mo2 Ru1'
_cell_volume   71.37
_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  0.98  1.0
  Mo  Mo0  1  0.73  0.73  0.79  1.0
  Mo  Mo1  1  0.73  0.73  0.17  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_TlMo2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlMo2Ru
_chemical_formula_sum   'Tl2 Mo4 Ru2'
_cell_volume   142.74
_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  0.98  1.0
  Mo  Mo1  2  0.23  0.5  0.17  1.0
  Mo  Mo2  2  0.23  0.5  0.79  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Tl Mo Mo Ru
Mo2RuTl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mo2RuTl 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 1.74 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Ru(1) atom. The Mo(2)-Ru(1) bond length is 1.67 Å. Ru(1) is bonded in a single-bond geometry to one Mo(2) and one Tl(1) atom. The Ru(1)-Tl(1) bond length is 0.12 Å. Tl(1) is bonded in a single-bond geometry to one Mo(1) and one Ru(1) atom.