data_H3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   3.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H3Pb
_chemical_formula_sum   'H3 Pb1'
_cell_volume   41.02
_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
  H  H0  1  0.37  0.37  0.37  1.0
  H  H1  1  0.11  0.11  0.11  1.0
  H  H2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.74  0.74  0.74  1.0

data_H3Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   H3Pb
_chemical_formula_sum   'H9 Pb3'
_cell_volume   123.06
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  H  H0  3  0.0  0.0  0.0  1.0
  H  H1  3  0.0  0.0  0.63  1.0
  H  H2  3  0.0  0.0  0.89  1.0
  Pb  Pb3  3  0.0  0.0  0.26  1.0

H H H Pb
H H H Pb 0 1 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 o o + 0 2 o + o 0 2 + o o 0 3 - o o 0 3 o - o 0 3 o o - 1 2 o o o 1 3 o - - 1 3 - o - 1 3 - - o 2 3 o - - 2 3 - o - 2 3 - - o 2 3 - - - 
PbH3 crystallizes in the trigonal R3m space group. Pb(1) is bonded in a 10-coordinate geometry to three equivalent H(1), three equivalent H(2), and four equivalent H(3) atoms. All Pb(1)-H(1) bond lengths are 2.26 Å. All Pb(1)-H(2) bond lengths are 2.26 Å. There are three shorter (2.33 Å) and one longer (2.49 Å) Pb(1)-H(3) bond length. There are three inequivalent H sites. In the first H site, H(1) is bonded in a trigonal planar geometry to three equivalent Pb(1) atoms. In the second H site, H(2) is bonded in a single-bond geometry to three equivalent Pb(1) and one H(3) atom. The H(2)-H(3) bond length is 1.00 Å. In the third H site, H(3) is bonded in a single-bond geometry to four equivalent Pb(1) and one H(2) atom.