data_PPbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPbBr
_chemical_formula_sum   'P1 Pb1 Br1'
_cell_volume   86.62
_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  0.3  1.0
  Pb  Pb2  1  0.1  0.21  0.43  1.0
  Br  Br0  1  1.0  0.42  0.61  1.0

data_PPbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPbBr
_chemical_formula_sum   'P1 Pb1 Br1'
_cell_volume   86.62
_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  0.3  1.0
  Pb  Pb1  1  0.1  0.21  0.43  1.0
  Br  Br2  1  1.0  0.42  0.61  1.0

P Pb Br
P Pb Br 0 1 o o o 1 2 - o o 
PbPBr is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one PbPBr cluster. Pb(1) is bonded in a bent 150 degrees geometry to one P(1) and one Br(1) atom. The Pb(1)-P(1) bond length is 1.09 Å. The Pb(1)-Br(1) bond length is 1.55 Å. P(1) is bonded in a single-bond geometry to one Pb(1) atom. Br(1) is bonded in a single-bond geometry to one Pb(1) atom.