data_HfNbIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.07
_cell_length_b   10.07
_cell_length_c   10.07
_cell_angle_alpha   18.19
_cell_angle_beta   18.19
_cell_angle_gamma   18.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbIn2
_chemical_formula_sum   'Hf1 Nb1 In2'
_cell_volume   86.88
_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  0.85  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.51  1.0
  In  In2  1  0.0  0.0  0.19  1.0

data_HfNbIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   3.18
_cell_length_c   10.07
_cell_angle_alpha   90.0
_cell_angle_beta   100.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfNbIn2
_chemical_formula_sum   'Hf2 Nb2 In4'
_cell_volume   173.76
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  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  0.15  1.0
  Nb  Nb1  2  0.0  0.0  0.0  1.0
  In  In2  2  -0.0  0.0  0.81  1.0
  In  In3  2  -0.0  0.0  0.49  1.0

Hf Nb In In
HfNbIn2 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a single-bond geometry to one Nb(1) and one In(1) atom. The Hf(1)-Nb(1) bond length is 1.50 Å. The Hf(1)-In(1) bond length is 3.42 Å. Nb(1) is bonded in a linear geometry to one Hf(1) and one In(2) atom. The Nb(1)-In(2) bond length is 1.92 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Hf(1), one In(2), and six equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing InHfIn7 hexagonal bipyramids. The In(1)-In(2) bond length is 3.23 Å. All In(1)-In(1) bond lengths are 3.18 Å. In the second In site, In(2) is bonded in a single-bond geometry to one Nb(1) and one In(1) atom.