data_Hf2TiIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.04
_cell_length_b   10.04
_cell_length_c   10.04
_cell_angle_alpha   18.16
_cell_angle_beta   18.16
_cell_angle_gamma   18.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TiIn
_chemical_formula_sum   'Hf2 Ti1 In1'
_cell_volume   85.94
_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  0.09  1.0
  Hf  Hf1  1  0.0  0.0  0.45  1.0
  Ti  Ti3  1  0.0  0.0  0.18  1.0
  In  In2  1  0.0  0.0  0.73  1.0

data_Hf2TiIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   3.17
_cell_length_c   10.04
_cell_angle_alpha   90.0
_cell_angle_beta   100.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2TiIn
_chemical_formula_sum   'Hf4 Ti2 In2'
_cell_volume   171.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.55  1.0
  Hf  Hf1  2  0.0  0.0  0.91  1.0
  Ti  Ti2  2  0.0  0.0  0.82  1.0
  In  In3  2  0.0  0.0  0.27  1.0

Hf Hf Ti In
Hf2TiIn crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Hf2TiIn clusters. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a single-bond geometry to one Ti(1) atom. The Hf(1)-Ti(1) bond length is 0.89 Å. In the second Hf site, Hf(2) is bonded in a distorted linear geometry to one Ti(1) and one In(1) atom. The Hf(2)-Ti(1) bond length is 2.73 Å. The Hf(2)-In(1) bond length is 2.80 Å. Ti(1) is bonded in a single-bond geometry to one Hf(1) and one Hf(2) atom. In(1) is bonded in a 1-coordinate geometry to one Hf(2) atom.