data_HfCrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrIn2
_chemical_formula_sum   'Hf1 Cr1 In2'
_cell_volume   77.3
_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  0.18  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  In  In2  1  0.52  0.52  0.49  1.0
  In  In3  1  0.52  0.52  0.87  1.0

data_HfCrIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCrIn2
_chemical_formula_sum   'Hf2 Cr2 In4'
_cell_volume   154.59
_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  0.18  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  In  In2  2  0.02  0.5  0.49  1.0
  In  In3  2  0.02  0.5  0.87  1.0

Hf Cr In In
HfCrIn2 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a single-bond geometry to one Cr(1) and four equivalent In(1) atoms. The Hf(1)-Cr(1) bond length is 1.55 Å. There are a spread of Hf(1)-In(1) bond distances ranging from 3.32-3.42 Å. Cr(1) is bonded in a distorted single-bond geometry to one Hf(1) and four equivalent In(2) atoms. There are a spread of Cr(1)-In(2) bond distances ranging from 2.32-2.47 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted q6 geometry to four equivalent Hf(1), one In(2), and four equivalent In(1) atoms. The In(1)-In(2) bond length is 3.18 Å. All In(1)-In(1) bond lengths are 3.04 Å. In the second In site, In(2) is bonded in a 4-coordinate geometry to four equivalent Cr(1) and one In(1) atom.