data_HfPb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.78
_cell_length_b   9.78
_cell_length_c   9.78
_cell_angle_alpha   19.18
_cell_angle_beta   19.18
_cell_angle_gamma   19.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPb2W
_chemical_formula_sum   'Hf1 Pb2 W1'
_cell_volume   88.37
_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  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.05  1.0
  Pb  Pb2  1  0.0  0.0  0.75  1.0
  W  W3  1  0.0  0.0  0.4  1.0

data_HfPb2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.65
_cell_length_b   3.26
_cell_length_c   9.78
_cell_angle_alpha   90.0
_cell_angle_beta   101.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfPb2W
_chemical_formula_sum   'Hf2 Pb4 W2'
_cell_volume   176.73
_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  0.0  1.0
  Pb  Pb1  2  0.0  0.0  0.25  1.0
  Pb  Pb2  2  0.0  0.0  0.95  1.0
  W  W3  2  0.0  0.0  0.6  1.0

Hf Pb Pb W
HfWPb2 crystallizes in the monoclinic Cm space group. 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 0.51 Å. The Hf(1)-Pb(2) bond length is 2.41 Å. W(1) is bonded to six equivalent W(1), one Pb(1), and one Pb(2) atom to form a mixture of corner and edge-sharing WPb2W6 hexagonal bipyramids. All W(1)-W(1) bond lengths are 3.26 Å. The W(1)-Pb(1) bond length is 3.44 Å. The W(1)-Pb(2) bond length is 3.44 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a single-bond geometry to one Hf(1) and one W(1) atom. In the second Pb site, Pb(2) is bonded in a single-bond geometry to one Hf(1) and one W(1) atom.