data_Ti2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Mo
_chemical_formula_sum   'Ti4 Mo2'
_cell_volume   97.83
_cell_formula_units_Z   2
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
  Ti  Ti2  1  0.0  0.0  0.81  1.0
  Ti  Ti3  1  0.0  0.59  0.05  1.0
  Ti  Ti4  1  0.0  0.0  0.0  1.0
  Ti  Ti5  1  0.24  0.29  0.57  1.0
  Mo  Mo0  1  0.0  0.59  0.85  1.0
  Mo  Mo1  1  0.24  0.29  0.77  1.0

data_Ti2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Mo
_chemical_formula_sum   'Ti4 Mo2'
_cell_volume   97.83
_cell_formula_units_Z   2
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
  Ti  Ti0  1  -0.0  0.59  0.05  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.0  0.0  0.81  1.0
  Ti  Ti3  1  0.24  0.29  0.57  1.0
  Mo  Mo4  1  -0.0  0.59  0.85  1.0
  Mo  Mo5  1  0.24  0.29  0.77  1.0

Ti Ti Ti Ti Mo Mo
Ti2Mo is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ti2Mo cluster. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to one Ti(3), one Mo(1), and one Mo(2) atom. The Ti(1)-Ti(3) bond length is 1.07 Å. The Ti(1)-Mo(1) bond length is 1.86 Å. The Ti(1)-Mo(2) bond length is 1.24 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Mo(1) atom. The Ti(2)-Mo(1) bond length is 1.13 Å. In the third Ti site, Ti(3) is bonded in a distorted single-bond geometry to one Ti(1) atom. In the fourth Ti site, Ti(4) is bonded in a single-bond geometry to one Mo(2) atom. The Ti(4)-Mo(2) bond length is 1.13 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Ti(2) atom. In the second Mo site, Mo(2) is bonded in a water-like geometry to one Ti(1) and one Ti(4) atom.