data_Ti2TeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   140.05
_cell_angle_beta   127.54
_cell_angle_gamma   67.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TeMo
_chemical_formula_sum   'Ti2 Te1 Mo1'
_cell_volume   69.57
_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
  Ti  Ti2  1  0.0  0.29  0.27  1.0
  Ti  Ti3  1  0.77  0.0  0.03  1.0
  Te  Te1  1  0.0  0.0  0.3  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Ti2TeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.58
_cell_length_c   5.18
_cell_angle_alpha   116.23
_cell_angle_beta   109.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TeMo
_chemical_formula_sum   'Ti2 Te1 Mo1'
_cell_volume   69.57
_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
  Ti  Ti0  1  0.73  0.02  0.02  1.0
  Ti  Ti1  1  0.74  0.97  0.74  1.0
  Te  Te2  1  0.7  0.7  0.7  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Ti Ti Te Mo
Ti Ti Te Mo 0 3 o o o 0 1 - o o 1 3 + o o 1 2 + o o 
Ti2MoTe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ti2MoTe cluster. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to one Mo(1) atom. The Ti(1)-Mo(1) bond length is 0.99 Å. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one Mo(1) and one Te(1) atom. The Ti(2)-Mo(1) bond length is 1.28 Å. The Ti(2)-Te(1) bond length is 1.16 Å. Mo(1) is bonded in a 2-coordinate geometry to one Ti(1) and one Ti(2) atom. Te(1) is bonded in a distorted single-bond geometry to one Ti(2) atom.