data_B2PPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   130.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2PPb
_chemical_formula_sum   'B2 P1 Pb1'
_cell_volume   73.58
_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  0.0  0.36  1.0
  B  B1  1  0.54  0.0  0.73  1.0
  P  P2  1  0.0  0.0  0.4  1.0
  Pb  Pb3  1  0.54  0.0  0.4  1.0

data_B2PPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.67
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2PPb
_chemical_formula_sum   'B2 P1 Pb1'
_cell_volume   73.58
_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  0.0  0.36  1.0
  B  B1  1  0.0  0.54  0.73  1.0
  P  P2  1  0.0  0.0  0.4  1.0
  Pb  Pb3  1  0.0  0.54  0.4  1.0

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