data_B6P4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.77
_cell_length_b   13.77
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B6P4Pb
_chemical_formula_sum   'B12 P8 Pb2'
_cell_volume   524.93
_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  0.3  0.17  0.0  1.0
  B  B1  1  0.47  0.6  0.0  1.0
  B  B2  1  0.19  0.49  0.0  1.0
  B  B3  1  0.59  0.29  0.0  1.0
  B  B4  1  0.45  0.87  0.62  1.0
  B  B5  1  0.32  0.91  0.62  1.0
  B  B6  1  0.33  0.79  0.62  1.0
  B  B7  1  0.44  0.98  0.62  1.0
  B  B8  1  0.81  0.61  0.62  1.0
  B  B9  1  0.96  0.16  0.62  1.0
  B  B10  1  0.7  0.28  0.62  1.0
  B  B11  1  0.07  0.5  0.62  1.0
  P  P12  1  0.72  0.95  0.0  1.0
  P  P13  1  0.05  0.82  0.0  1.0
  P  P14  1  0.61  0.71  0.0  1.0
  P  P15  1  0.16  0.06  0.0  1.0
  P  P16  1  0.44  0.37  0.62  1.0
  P  P17  1  0.33  0.41  0.62  1.0
  P  P18  1  0.55  0.3  0.62  1.0
  P  P19  1  0.22  0.48  0.62  1.0
  Pb  Pb20  1  0.0  0.0  0.0  1.0
  Pb  Pb21  1  0.89  0.89  0.0  1.0

data_B6P4Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   11.77
_cell_length_c   13.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B6P4Pb
_chemical_formula_sum   'B12 P8 Pb2'
_cell_volume   524.93
_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  0.0  0.47  0.6  1.0
  B  B1  1  0.0  0.3  0.17  1.0
  B  B2  1  0.0  0.59  0.29  1.0
  B  B3  1  0.0  0.19  0.49  1.0
  B  B4  1  0.62  0.07  0.5  1.0
  B  B5  1  0.62  0.32  0.91  1.0
  B  B6  1  0.62  0.33  0.79  1.0
  B  B7  1  0.62  0.44  0.98  1.0
  B  B8  1  0.62  0.45  0.87  1.0
  B  B9  1  0.62  0.7  0.28  1.0
  B  B10  1  0.62  0.81  0.61  1.0
  B  B11  1  0.62  0.96  0.16  1.0
  P  P12  1  0.0  0.16  0.06  1.0
  P  P13  1  0.0  0.61  0.71  1.0
  P  P14  1  0.0  0.05  0.82  1.0
  P  P15  1  0.0  0.72  0.95  1.0
  P  P16  1  0.62  0.22  0.48  1.0
  P  P17  1  0.62  0.33  0.41  1.0
  P  P18  1  0.62  0.44  0.37  1.0
  P  P19  1  0.62  0.55  0.3  1.0
  Pb  Pb20  1  0.0  0.0  0.0  1.0
  Pb  Pb21  1  0.0  0.89  0.89  1.0

B B B B B B B B B B B B P P P P P P P P Pb Pb
B B B B B B B B B B B B P P P P P P P P Pb Pb 0 15 o o o 1 14 o o o 2 19 o o - 2 11 o o - 3 18 o o - 3 10 o o - 4 6 o o o 4 7 o o o 4 5 o o o 5 6 o o o 5 7 o o o 8 14 o o o 8 14 o o + 8 11 + o o 8 8 o o + 9 10 o o o 9 20 + o o 9 20 + o + 9 15 + o o 9 15 + o + 9 9 o o + 10 18 o o o 11 19 o o o 12 21 o o o 13 20 o + o 13 21 - o o 15 20 o o o 16 17 o o o 16 18 o o o 17 19 o o o 20 21 - - o 