data_HfTi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Bi
_chemical_formula_sum   'Hf1 Ti2 Bi1'
_cell_volume   84.8
_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  Hf1  1  0.0  0.0  0.91  1.0
  Ti  Ti2  1  0.06  0.0  0.5  1.0
  Ti  Ti3  1  0.0  0.0  0.65  1.0
  Bi  Bi0  1  0.06  0.0  0.42  1.0

data_HfTi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Bi
_chemical_formula_sum   'Hf1 Ti2 Bi1'
_cell_volume   84.8
_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  0.0  0.0  0.91  1.0
  Ti  Ti1  1  0.0  0.0  0.65  1.0
  Ti  Ti2  1  0.06  0.0  0.5  1.0
  Bi  Bi3  1  0.06  0.0  0.42  1.0

Hf Ti Ti Bi
HfTi2Bi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfTi2Bi cluster. Hf(1) is bonded in a single-bond geometry to one Ti(2) atom. The Hf(1)-Ti(2) bond length is 2.17 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one Ti(2) and one Bi(1) atom. The Ti(1)-Ti(2) bond length is 1.33 Å. The Ti(1)-Bi(1) bond length is 0.73 Å. In the second Ti site, Ti(2) is bonded in a linear geometry to one Hf(1) and one Ti(1) atom. Bi(1) is bonded in a single-bond geometry to one Ti(1) atom.