data_HfZrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35
_cell_length_b   10.35
_cell_length_c   10.35
_cell_angle_alpha   18.48
_cell_angle_beta   18.48
_cell_angle_gamma   18.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrPb2
_chemical_formula_sum   'Hf1 Zr1 Pb2'
_cell_volume   97.25
_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  0.0  0.0  0.26  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.89  1.0
  Pb  Pb2  1  0.0  0.0  0.63  1.0

data_HfZrPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   3.32
_cell_length_c   10.35
_cell_angle_alpha   90.0
_cell_angle_beta   100.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfZrPb2
_chemical_formula_sum   'Hf2 Zr2 Pb4'
_cell_volume   194.51
_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  0.0  0.0  0.74  1.0
  Zr  Zr1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.0  0.0  0.11  1.0
  Pb  Pb3  2  0.0  0.0  0.37  1.0

Hf Zr Pb Pb
HfZrPb2 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Pb(2) atom. The Hf(1)-Zr(1) bond length is 2.64 Å. The Hf(1)-Pb(2) bond length is 3.83 Å. Zr(1) is bonded in a single-bond geometry to one Hf(1) and one Pb(1) atom. The Zr(1)-Pb(1) bond length is 1.18 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a single-bond geometry to one Zr(1) and one Pb(2) atom. The Pb(1)-Pb(2) bond length is 2.70 Å. In the second Pb site, Pb(2) is bonded to one Hf(1), one Pb(1), and six equivalent Pb(2) atoms to form a mixture of distorted corner and edge-sharing PbHfPb7 hexagonal bipyramids. All Pb(2)-Pb(2) bond lengths are 3.32 Å.