data_HfAlIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlIn2
_chemical_formula_sum   'Hf1 Al1 In2'
_cell_volume   86.92
_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  0.79  0.79  0.93  1.0
  Al  Al0  1  0.0  0.0  0.43  1.0
  In  In2  1  0.0  0.0  0.76  1.0
  In  In3  1  0.79  0.79  0.8  1.0

data_HfAlIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfAlIn2
_chemical_formula_sum   'Hf2 Al2 In4'
_cell_volume   173.85
_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  0.29  0.5  0.93  1.0
  Al  Al1  2  0.0  0.0  0.43  1.0
  In  In2  2  0.0  0.0  0.76  1.0
  In  In3  2  0.29  0.5  0.8  1.0

Hf Al In In
Hf Al In In 0 3 o o o 1 3 - - o 1 2 o o o 2 3 - - o 
HfIn2Al crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfIn2Al clusters. Hf(1) is bonded in a single-bond geometry to one In(1) and one In(2) atom. The Hf(1)-In(1) bond length is 1.55 Å. The Hf(1)-In(2) bond length is 0.89 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to one Hf(1), one In(2), and one Al(1) atom. The In(1)-In(2) bond length is 1.08 Å. The In(1)-Al(1) bond length is 2.25 Å. In the second In site, In(2) is bonded in a distorted single-bond geometry to one Hf(1) and one In(1) atom. Al(1) is bonded in a distorted single-bond geometry to one In(1) atom.