data_HfBiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   140.71
_cell_angle_beta   140.71
_cell_angle_gamma   56.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBiP2
_chemical_formula_sum   'Hf1 Bi1 P2'
_cell_volume   80.75
_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  0.17  1.0
  Bi  Bi0  1  0.98  0.0  0.59  1.0
  P  P2  1  0.0  0.98  0.59  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_HfBiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.88
_cell_angle_alpha   109.64
_cell_angle_beta   109.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBiP2
_chemical_formula_sum   'Hf1 Bi1 P2'
_cell_volume   80.75
_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  0.17  0.17  0.17  1.0
  Bi  Bi1  1  0.59  0.61  0.61  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.61  0.59  0.61  1.0

Hf Bi P P
Hf Bi P P 0 3 o o o 1 2 + - o 
HfPBiP is beta oxygen-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BiP cluster and one HfP cluster. In the BiP cluster, Bi(1) is bonded in a single-bond geometry to one P(1) atom. The Bi(1)-P(1) bond length is 0.13 Å. P(1) is bonded in a single-bond geometry to one Bi(1) atom. In the HfP cluster, Hf(1) is bonded in a single-bond geometry to one P(2) atom. The Hf(1)-P(2) bond length is 1.01 Å. P(2) is bonded in a single-bond geometry to one Hf(1) atom.