data_HfTi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi3
_chemical_formula_sum   'Hf1 Ti3'
_cell_volume   74.69
_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
  Hf  Hf0  1  0.97  0.0  0.0  1.0
  Ti  Ti1  1  0.49  0.1  0.5  1.0
  Ti  Ti2  1  0.49  0.9  0.5  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

data_HfTi3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.14
_cell_length_b   2.99
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   109.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfTi3
_chemical_formula_sum   'Hf1 Ti3'
_cell_volume   74.69
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Hf  Hf0  1  0.97  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.49  0.5  0.1  1.0
  Ti  Ti3  1  0.49  0.5  0.9  1.0

Hf Ti Ti Ti
HfTi(Ti)2 is alpha carbon monoxide-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one hafnium;titanium molecule and one Ti cluster. In the Ti cluster, there are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one Ti(2) atom. The Ti(1)-Ti(2) bond length is 1.01 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Ti(1) atom.