data_HfInAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   3.57
_cell_angle_alpha   91.71
_cell_angle_beta   91.71
_cell_angle_gamma   95.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInAs2
_chemical_formula_sum   'Hf1 In1 As2'
_cell_volume   79.84
_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  Hf2  1  0.2  0.0  0.0  1.0
  In  In3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.52  0.25  0.78  1.0
  As  As1  1  0.52  0.75  0.78  1.0

data_HfInAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   95.14
_cell_angle_beta   91.71
_cell_angle_gamma   91.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInAs2
_chemical_formula_sum   'Hf1 In1 As2'
_cell_volume   79.84
_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  0.2  0.0  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.78  0.52  0.25  1.0
  As  As3  1  0.78  0.52  0.75  1.0

Hf In As As
HfInAs2 crystallizes in the triclinic P1 space group. Hf(1) is bonded in a 3-coordinate geometry to one In(1), one As(1), and two equivalent As(2) atoms. The Hf(1)-In(1) bond length is 0.94 Å. The Hf(1)-As(1) bond length is 2.03 Å. There is one shorter (2.16 Å) and one longer (3.43 Å) Hf(1)-As(2) bond length. In(1) is bonded in a distorted single-bond geometry to one Hf(1) and one As(2) atom. The In(1)-As(2) bond length is 2.55 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted single-bond geometry to one Hf(1) and two equivalent As(2) atoms. Both As(1)-As(2) bond lengths are 2.37 Å. In the second As site, As(2) is bonded in a 5-coordinate geometry to two equivalent Hf(1), one In(1), and two equivalent As(1) atoms.