data_HfFeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeP2
_chemical_formula_sum   'Hf1 Fe1 P2'
_cell_volume   56.11
_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  0.12  0.12  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.12  0.0  0.57  1.0
  P  P3  1  0.0  0.12  0.57  1.0

data_HfFeP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfFeP2
_chemical_formula_sum   'Hf2 Fe2 P4'
_cell_volume   112.22
_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  0.12  0.0  0.0  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  P  P2  4  0.06  0.06  0.57  1.0

Hf Fe P P
HfFe(P)2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two diphosphorus molecules and two HfFe clusters. In each HfFe cluster, Hf(1) is bonded in a single-bond geometry to one Fe(1) atom. The Hf(1)-Fe(1) bond length is 0.70 Å. Fe(1) is bonded in a single-bond geometry to one Hf(1) atom.