data_BPPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   3.26
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   115.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPPb2
_chemical_formula_sum   'B1 P1 Pb2'
_cell_volume   90.27
_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
  B  B0  1  0.45  0.0  0.79  1.0
  P  P1  1  0.37  0.63  0.07  1.0
  Pb  Pb2  1  0.48  0.0  0.28  1.0
  Pb  Pb3  1  0.53  0.63  0.67  1.0

data_BPPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.32
_cell_length_c   5.79
_cell_angle_alpha   115.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPPb2
_chemical_formula_sum   'B1 P1 Pb2'
_cell_volume   90.27
_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
  B  B0  1  0.0  0.55  0.21  1.0
  P  P1  1  0.37  0.63  0.93  1.0
  Pb  Pb2  1  0.0  0.52  0.72  1.0
  Pb  Pb3  1  0.37  0.47  0.33  1.0

B P Pb Pb
B P Pb Pb 0 3 o - o 1 2 o + o 