data_Hf7Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53
_cell_length_b   6.42
_cell_length_c   5.99
_cell_angle_alpha   74.74
_cell_angle_beta   55.22
_cell_angle_gamma   50.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf7Pb
_chemical_formula_sum   'Hf7 Pb1'
_cell_volume   179.74
_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  0.18  0.56  0.78  1.0
  Hf  Hf1  1  0.18  0.58  0.78  1.0
  Hf  Hf2  1  0.77  0.61  0.13  1.0
  Hf  Hf3  1  0.59  0.54  0.56  1.0
  Hf  Hf4  1  0.8  0.07  0.72  1.0
  Hf  Hf5  1  0.56  0.07  0.72  1.0
  Hf  Hf6  1  0.18  0.07  0.54  1.0
  Pb  Pb7  1  0.18  0.07  0.91  1.0

data_Hf7Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   6.42
_cell_angle_alpha   105.26
_cell_angle_beta   105.26
_cell_angle_gamma   115.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf7Pb
_chemical_formula_sum   'Hf7 Pb1'
_cell_volume   179.74
_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  0.18  0.22  0.74  1.0
  Hf  Hf1  1  0.18  0.22  0.76  1.0
  Hf  Hf2  1  0.18  0.46  0.25  1.0
  Hf  Hf3  1  0.56  0.28  0.63  1.0
  Hf  Hf4  1  0.59  0.44  0.13  1.0
  Hf  Hf5  1  0.77  0.87  0.38  1.0
  Hf  Hf6  1  0.8  0.28  0.87  1.0
  Pb  Pb7  1  0.18  0.09  0.25  1.0

Hf Hf Hf Hf Hf Hf Hf Pb
Hf Hf Hf Hf Hf Hf Hf Pb 0 1 o o o 0 2 - o + 0 3 o o o 1 2 - o + 1 3 o o o 2 3 o o o 2 7 + o - 3 4 o o o 3 6 o + o 4 5 o o o 4 6 + o o 5 7 o o o 6 7 o o o 
Hf7Pb crystallizes in the triclinic P1 space group. There are seven inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a single-bond geometry to one Hf(2) atom. The Hf(1)-Hf(2) bond length is 0.15 Å. In the second Hf site, Hf(2) is bonded in a single-bond geometry to one Hf(1), one Hf(4), and one Hf(5) atom. The Hf(2)-Hf(4) bond length is 2.39 Å. The Hf(2)-Hf(5) bond length is 2.70 Å. In the third Hf site, Hf(3) is bonded in a 1-coordinate geometry to one Hf(4) and one Pb(1) atom. The Hf(3)-Hf(4) bond length is 2.20 Å. The Hf(3)-Pb(1) bond length is 2.68 Å. In the fourth Hf site, Hf(4) is bonded in a 4-coordinate geometry to one Hf(2), one Hf(3), one Hf(5), and one Pb(1) atom. The Hf(4)-Hf(5) bond length is 2.54 Å. The Hf(4)-Pb(1) bond length is 2.93 Å. In the fifth Hf site, Hf(5) is bonded in a 4-coordinate geometry to one Hf(2), one Hf(4), one Hf(6), and one Hf(7) atom. The Hf(5)-Hf(6) bond length is 1.77 Å. The Hf(5)-Hf(7) bond length is 2.44 Å. In the sixth Hf site, Hf(6) is bonded in a 1-coordinate geometry to one Hf(5) and one Pb(1) atom. The Hf(6)-Pb(1) bond length is 2.42 Å. In the seventh Hf site, Hf(7) is bonded in a single-bond geometry to one Hf(5) and one Pb(1) atom. The Hf(7)-Pb(1) bond length is 2.22 Å. Pb(1) is bonded in a 3-coordinate geometry to one Hf(3), one Hf(4), one Hf(6), and one Hf(7) atom.