data_HfPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.87
_cell_length_b   9.87
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   161.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPb2
_chemical_formula_sum   'Hf2 Pb4'
_cell_volume   164.78
_cell_formula_units_Z   2
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  0.62  0.32  0.93  1.0
  Hf  Hf1  1  0.62  0.68  0.31  1.0
  Pb  Pb2  1  0.62  0.96  0.93  1.0
  Pb  Pb3  1  0.62  0.29  0.93  1.0
  Pb  Pb4  1  0.62  0.71  0.31  1.0
  Pb  Pb5  1  0.62  0.04  0.31  1.0

data_HfPb2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.23
_cell_length_b   5.24
_cell_length_c   9.87
_cell_angle_alpha   90.0
_cell_angle_beta   99.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfPb2
_chemical_formula_sum   'Hf2 Pb4'
_cell_volume   164.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.32  0.69  0.32  1.0
  Pb  Pb1  2  0.04  0.31  0.04  1.0
  Pb  Pb2  2  0.29  0.69  0.29  1.0

Hf Hf Pb Pb Pb Pb
Hf Hf Pb Pb Pb Pb 0 3 o o o 1 4 o o o 2 5 o + + 
PbHf1Pb crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one diplumbyne molecule and two hafnium;lead molecules.