data_HfTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   4.69
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   104.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi
_chemical_formula_sum   'Hf2 Ti2'
_cell_volume   79.76
_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
  Hf  Hf0  1  0.76  0.52  0.76  1.0
  Hf  Hf1  1  0.78  0.17  0.84  1.0
  Ti  Ti2  1  0.24  0.17  0.5  1.0
  Ti  Ti3  1  0.3  0.52  0.09  1.0

data_HfTi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.04
_cell_length_b   4.69
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   104.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfTi
_chemical_formula_sum   'Hf2 Ti2'
_cell_volume   79.76
_cell_formula_units_Z   2
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  2  0.49  0.17  0.46  1.0
  Ti  Ti1  2  0.03  0.17  0.79  1.0

Hf Hf Ti Ti
Hf Hf Ti Ti 0 1 o o o 0 2 o o o 0 3 + o + 0 3 o o + 1 2 + o o 1 2 o o o 1 3 + o + 
HfTi crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one HfTi cluster. Hf(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Ti(1) atom. The Hf(1)-Hf(1) bond length is 1.69 Å. The Hf(1)-Ti(1) bond length is 2.18 Å. Ti(1) is bonded in a 1-coordinate geometry to one Hf(1) atom.