data_B2P2Pb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   12.7
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2P2Pb3
_chemical_formula_sum   'B4 P4 Pb6'
_cell_volume   292.73
_cell_formula_units_Z   2
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  0.58  0.64  0.72  1.0
  B  B1  1  0.13  0.07  0.72  1.0
  B  B2  1  0.78  0.28  0.72  1.0
  B  B3  1  0.94  0.42  0.72  1.0
  P  P4  1  0.71  0.11  0.72  1.0
  P  P5  1  0.01  0.6  0.72  1.0
  P  P6  1  0.65  0.76  0.72  1.0
  P  P7  1  0.06  0.95  0.72  1.0
  Pb  Pb8  1  0.6  0.02  0.0  1.0
  Pb  Pb9  1  0.12  0.68  0.0  1.0
  Pb  Pb10  1  0.76  0.67  0.0  1.0
  Pb  Pb11  1  0.96  0.03  0.0  1.0
  Pb  Pb12  1  0.0  0.0  0.0  1.0
  Pb  Pb13  1  0.36  0.35  0.0  1.0

data_B2P2Pb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   6.72
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2P2Pb3
_chemical_formula_sum   'B4 P4 Pb6'
_cell_volume   292.73
_cell_formula_units_Z   2
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  0.72  0.13  0.07  1.0
  B  B1  1  0.72  0.58  0.64  1.0
  B  B2  1  0.72  0.78  0.28  1.0
  B  B3  1  0.72  0.94  0.42  1.0
  P  P4  1  0.72  0.01  0.6  1.0
  P  P5  1  0.72  0.06  0.95  1.0
  P  P6  1  0.72  0.65  0.76  1.0
  P  P7  1  0.72  0.71  0.11  1.0
  Pb  Pb8  1  0.0  0.0  0.0  1.0
  Pb  Pb9  1  0.0  0.12  0.68  1.0
  Pb  Pb10  1  0.0  0.36  0.35  1.0
  Pb  Pb11  1  0.0  0.6  0.02  1.0
  Pb  Pb12  1  0.0  0.76  0.67  1.0
  Pb  Pb13  1  0.0  0.96  0.03  1.0

B B B B P P P P Pb Pb Pb Pb Pb Pb