data_HfTiIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   5.07
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiIn2
_chemical_formula_sum   'Hf1 Ti1 In2'
_cell_volume   83.37
_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  0.07  0.54  0.13  1.0
  Ti  Ti3  1  0.19  0.0  0.5  1.0
  In  In1  1  0.68  0.0  0.08  1.0
  In  In2  1  0.66  0.54  0.55  1.0

data_HfTiIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.07
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiIn2
_chemical_formula_sum   'Hf1 Ti1 In2'
_cell_volume   83.37
_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  0.07  0.54  0.13  1.0
  Ti  Ti1  1  0.19  0.0  0.5  1.0
  In  In2  1  0.66  0.54  0.55  1.0
  In  In3  1  0.68  0.0  0.08  1.0

Hf Ti In In
HfTiIn2 is beta Plutonium-derived structured and crystallizes in the triclinic P1 space group. Hf(1) is bonded in a 12-coordinate geometry to two equivalent Hf(1), two equivalent Ti(1), four equivalent In(1), and four equivalent In(2) atoms. Both Hf(1)-Hf(1) bond lengths are 3.10 Å. There is one shorter (3.09 Å) and one longer (3.38 Å) Hf(1)-Ti(1) bond length. There are a spread of Hf(1)-In(1) bond distances ranging from 2.66-3.32 Å. There are a spread of Hf(1)-In(2) bond distances ranging from 2.60-3.57 Å. Ti(1) is bonded in a 12-coordinate geometry to two equivalent Hf(1), two equivalent Ti(1), four equivalent In(1), and four equivalent In(2) atoms. Both Ti(1)-Ti(1) bond lengths are 3.10 Å. There are a spread of Ti(1)-In(1) bond distances ranging from 2.71-3.47 Å. There are a spread of Ti(1)-In(2) bond distances ranging from 2.77-3.20 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to four equivalent Hf(1), four equivalent Ti(1), and two equivalent In(1) atoms. Both In(1)-In(1) bond lengths are 3.10 Å. In the second In site, In(2) is bonded in a 10-coordinate geometry to four equivalent Hf(1), four equivalent Ti(1), and two equivalent In(2) atoms. Both In(2)-In(2) bond lengths are 3.10 Å.