data_Ba2PPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2PPb
_chemical_formula_sum   'Ba2 P1 Pb1'
_cell_volume   135.19
_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
  Ba  Ba0  1  0.96  0.96  0.88  1.0
  Ba  Ba1  1  0.96  0.96  0.89  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.38  1.0

data_Ba2PPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2PPb
_chemical_formula_sum   'Ba4 P2 Pb2'
_cell_volume   270.39
_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
  Ba  Ba0  2  0.46  0.5  0.88  1.0
  Ba  Ba1  2  0.46  0.5  0.89  1.0
  P  P2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.38  1.0

Ba Ba P Pb
Ba Ba P Pb 0 1 o o o 0 2 + + + 0 3 + + + 0 3 + + o 1 2 + + + 1 3 + + + 1 3 + + o 2 3 o o o 3 3 + o o 3 3 o + o 
Ba2PbP crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ba2PbP clusters. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a single-bond geometry to one Ba(2) and one Pb(1) atom. The Ba(1)-Ba(2) bond length is 0.10 Å. The Ba(1)-Pb(1) bond length is 4.34 Å. In the second Ba site, Ba(2) is bonded in a distorted linear geometry to one Ba(1) and one P(1) atom. The Ba(2)-P(1) bond length is 0.99 Å. Pb(1) is bonded in a 1-coordinate geometry to one Ba(1) atom. P(1) is bonded in a single-bond geometry to one Ba(2) atom.