data_POsPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POsPb2
_chemical_formula_sum   'P1 Os1 Pb2'
_cell_volume   83.66
_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  P1  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.74  0.74  0.74  1.0
  Pb  Pb2  1  0.21  0.21  0.21  1.0
  Pb  Pb3  1  0.47  0.47  0.47  1.0

data_POsPb2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   12.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   POsPb2
_chemical_formula_sum   'P3 Os3 Pb6'
_cell_volume   250.99
_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
  P  P0  3  0.0  0.0  0.0  1.0
  Os  Os1  3  0.0  0.0  0.26  1.0
  Pb  Pb2  3  0.0  0.0  0.53  1.0
  Pb  Pb3  3  0.0  0.0  0.79  1.0

P Os Pb Pb
P Os Pb Pb 0 2 o - o 0 2 - o o 0 2 o o - 0 2 o o o 0 1 - - - 0 1 - - o 0 1 - o - 0 1 o - - 0 3 - o o 0 3 o - o 0 3 o o - 1 3 o o o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 o + + 1 2 + o + 1 2 + + o 2 3 - o o 2 3 o - o 2 3 o o - 2 3 o o o 
OsPb2P crystallizes in the trigonal R3m space group. Os(1) is bonded in a 11-coordinate geometry to three equivalent Pb(1), four equivalent Pb(2), and four equivalent P(1) atoms. All Os(1)-Pb(1) bond lengths are 3.28 Å. There are three shorter (2.95 Å) and one longer (3.18 Å) Os(1)-Pb(2) bond length. There are three shorter (2.95 Å) and one longer (3.18 Å) Os(1)-P(1) bond length. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted single-bond geometry to three equivalent Os(1), four equivalent Pb(2), and one P(1) atom. There are three shorter (2.95 Å) and one longer (3.18 Å) Pb(1)-Pb(2) bond length. The Pb(1)-P(1) bond length is 2.49 Å. In the second Pb site, Pb(2) is bonded in a 8-coordinate geometry to four equivalent Os(1) and four equivalent Pb(1) atoms. P(1) is bonded in a distorted single-bond geometry to four equivalent Os(1) and one Pb(1) atom.