data_HfInP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.78
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   91.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInP2
_chemical_formula_sum   'Hf1 In1 P2'
_cell_volume   78.57
_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  0.66  0.89  0.16  1.0
  In  In1  1  0.75  0.0  0.76  1.0
  P  P2  1  0.87  0.89  0.99  1.0
  P  P3  1  0.79  0.0  0.06  1.0

data_HfInP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.78
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   91.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInP2
_chemical_formula_sum   'Hf1 In1 P2'
_cell_volume   78.57
_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  0.66  0.89  0.16  1.0
  In  In1  1  0.75  0.0  0.76  1.0
  P  P2  1  0.79  0.0  0.06  1.0
  P  P3  1  0.87  0.89  0.99  1.0

Hf In P P
Hf In P P 0 3 o + o 1 2 o - o 1 3 o o + 2 3 o + + 
HfInP2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfInP2 cluster. Hf(1) is bonded in a single-bond geometry to one P(2) atom. The Hf(1)-P(2) bond length is 0.89 Å. In(1) is bonded in a distorted single-bond geometry to one P(1) atom. The In(1)-P(1) bond length is 1.43 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted water-like geometry to one In(1) and one P(2) atom. The P(1)-P(2) bond length is 0.65 Å. In the second P site, P(2) is bonded in a distorted water-like geometry to one Hf(1) and one P(1) atom.