data_HfFePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFePb2
_chemical_formula_sum   'Hf1 Fe1 Pb2'
_cell_volume   92.54
_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  0.31  0.0  0.7  1.0
  Fe  Fe0  1  0.0  0.0  0.92  1.0
  Pb  Pb2  1  0.0  0.0  0.35  1.0
  Pb  Pb3  1  0.31  0.0  0.83  1.0

data_HfFePb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfFePb2
_chemical_formula_sum   'Hf1 Fe1 Pb2'
_cell_volume   92.55
_cell_formula_units_Z   1
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  1  0.31  0.0  0.7  1.0
  Fe  Fe1  1  0.0  0.0  0.92  1.0
  Pb  Pb2  1  0.0  0.0  0.35  1.0
  Pb  Pb3  1  0.31  0.0  0.83  1.0

Hf Fe Pb Pb
HfFePb2 crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one HfFePb2 cluster. Hf(1) is bonded in a single-bond geometry to one Pb(1) and one Pb(2) atom. The Hf(1)-Pb(1) bond length is 3.10 Å. The Hf(1)-Pb(2) bond length is 1.11 Å. Fe(1) is bonded in a distorted single-bond geometry to one Pb(2) atom. The Fe(1)-Pb(2) bond length is 1.29 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted single-bond geometry to one Hf(1) atom. In the second Pb site, Pb(2) is bonded in a 2-coordinate geometry to one Hf(1) and one Fe(1) atom.