data_TlMo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   128.7
_cell_angle_beta   128.7
_cell_angle_gamma   75.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2Cl
_chemical_formula_sum   'Tl1 Mo2 Cl1'
_cell_volume   73.42
_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  0.16  0.97  1.0
  Mo  Mo1  1  0.16  0.0  0.97  1.0
  Mo  Mo2  1  0.0  0.0  0.94  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TlMo2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.98
_cell_angle_alpha   115.65
_cell_angle_beta   115.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMo2Cl
_chemical_formula_sum   'Tl1 Mo2 Cl1'
_cell_volume   73.42
_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  0.81  0.97  0.81  1.0
  Mo  Mo1  1  0.94  0.94  0.94  1.0
  Mo  Mo2  1  0.97  0.81  0.81  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Tl Mo Mo Cl
Mo2TlCl is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mo2TlCl cluster. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to one Mo(2) and one Tl(1) atom. The Mo(1)-Mo(2) bond length is 0.71 Å. The Mo(1)-Tl(1) bond length is 0.96 Å. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Mo(1), one Tl(1), and one Cl(1) atom. The Mo(2)-Tl(1) bond length is 0.71 Å. The Mo(2)-Cl(1) bond length is 0.29 Å. Tl(1) is bonded in a distorted single-bond geometry to one Mo(1) and one Mo(2) atom. Cl(1) is bonded in a single-bond geometry to one Mo(2) atom.