data_HfPAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   139.75
_cell_angle_beta   139.75
_cell_angle_gamma   58.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPAu2
_chemical_formula_sum   'Hf1 P1 Au2'
_cell_volume   71.98
_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  0.0  0.0  0.88  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.92  0.0  0.44  1.0
  Au  Au1  1  0.0  0.92  0.44  1.0

data_HfPAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   119.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfPAu2
_chemical_formula_sum   'Hf2 P2 Au4'
_cell_volume   143.96
_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  0.38  0.5  0.88  1.0
  P  P1  2  0.0  0.0  0.0  1.0
  Au  Au2  4  0.48  0.04  0.52  1.0

Hf P Au Au
Hf P Au Au 0 1 o o + 2 3 + - o 
HfAu2P crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfAu2P clusters. Hf(1) is bonded in a single-bond geometry to two equivalent Au(1) and one P(1) atom. Both Hf(1)-Au(1) bond lengths are 2.13 Å. The Hf(1)-P(1) bond length is 0.68 Å. Au(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Au(1) atom. The Au(1)-Au(1) bond length is 0.43 Å. P(1) is bonded in a single-bond geometry to one Hf(1) atom.