data_P3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   145.39
_cell_angle_beta   119.57
_cell_angle_gamma   71.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P3Pb
_chemical_formula_sum   'P3 Pb1'
_cell_volume   80.37
_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
  P  P0  1  0.63  0.0  0.66  1.0
  P  P1  1  0.0  0.76  0.8  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.45  1.0

data_P3Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   60.43
_cell_angle_beta   72.69
_cell_angle_gamma   72.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P3Pb
_chemical_formula_sum   'P3 Pb1'
_cell_volume   80.37
_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
  P  P0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.02  0.63  0.34  1.0
  P  P2  1  0.8  -0.0  0.97  1.0
  Pb  Pb3  1  0.45  0.0  0.55  1.0

P P P Pb
PbP3 crystallizes in the triclinic P1 space group. Pb(1) is bonded in a 9-coordinate geometry to two equivalent Pb(1), two equivalent P(1), two equivalent P(3), and three equivalent P(2) atoms. Both Pb(1)-Pb(1) bond lengths are 3.27 Å. There is one shorter (2.75 Å) and one longer (3.08 Å) Pb(1)-P(1) bond length. There is one shorter (2.49 Å) and one longer (3.00 Å) Pb(1)-P(3) bond length. There are a spread of Pb(1)-P(2) bond distances ranging from 2.64-3.04 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to two equivalent Pb(1), one P(2), and one P(3) atom. The P(1)-P(2) bond length is 2.19 Å. The P(1)-P(3) bond length is 1.96 Å. In the second P site, P(2) is bonded in a single-bond geometry to three equivalent Pb(1), one P(1), and one P(3) atom. The P(2)-P(3) bond length is 0.74 Å. In the third P site, P(3) is bonded in a distorted single-bond geometry to two equivalent Pb(1), one P(1), and one P(2) atom.