data_BP2Pb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.15
_cell_length_b   12.38
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BP2Pb5
_chemical_formula_sum   'B4 P8 Pb20'
_cell_volume   1188.59
_cell_formula_units_Z   4
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  0.65  0.09  0.0  1.0
  B  B1  1  0.49  0.3  0.0  1.0
  B  B2  1  0.56  0.9  0.0  1.0
  B  B3  1  0.58  0.49  0.0  1.0
  P  P4  1  0.0  0.0  0.18  1.0
  P  P5  1  0.07  0.19  0.28  1.0
  P  P6  1  0.0  0.0  0.28  1.0
  P  P7  1  0.07  0.19  0.18  1.0
  P  P8  1  0.43  0.28  0.73  1.0
  P  P9  1  0.72  0.11  0.73  1.0
  P  P10  1  0.64  0.09  0.73  1.0
  P  P11  1  0.5  0.3  0.73  1.0
  Pb  Pb12  1  0.0  0.19  0.02  1.0
  Pb  Pb13  1  0.07  0.0  0.44  1.0
  Pb  Pb14  1  0.0  0.19  0.44  1.0
  Pb  Pb15  1  0.07  0.0  0.02  1.0
  Pb  Pb16  1  0.48  0.73  0.47  1.0
  Pb  Pb17  1  0.67  0.65  0.47  1.0
  Pb  Pb18  1  0.59  0.54  0.99  1.0
  Pb  Pb19  1  0.55  0.84  0.99  1.0
  Pb  Pb20  1  0.67  0.65  0.99  1.0
  Pb  Pb21  1  0.48  0.73  0.99  1.0
  Pb  Pb22  1  0.55  0.84  0.47  1.0
  Pb  Pb23  1  0.59  0.54  0.47  1.0
  Pb  Pb24  1  0.22  0.52  0.0  1.0
  Pb  Pb25  1  0.93  0.87  0.0  1.0
  Pb  Pb26  1  0.0  0.32  0.0  1.0
  Pb  Pb27  1  0.14  0.06  0.0  1.0
  Pb  Pb28  1  0.68  0.96  0.73  1.0
  Pb  Pb29  1  0.47  0.42  0.73  1.0
  Pb  Pb30  1  0.54  0.77  0.73  1.0
  Pb  Pb31  1  0.6  0.61  0.73  1.0

data_BP2Pb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.46
_cell_length_b   10.15
_cell_length_c   12.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BP2Pb5
_chemical_formula_sum   'B4 P8 Pb20'
_cell_volume   1188.59
_cell_formula_units_Z   4
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  0.65  0.09  1.0
  B  B1  1  0.0  0.56  0.9  1.0
  B  B2  1  0.0  0.58  0.49  1.0
  B  B3  1  0.0  0.49  0.3  1.0
  P  P4  1  0.18  0.0  0.0  1.0
  P  P5  1  0.18  0.07  0.19  1.0
  P  P6  1  0.28  0.0  0.0  1.0
  P  P7  1  0.28  0.07  0.19  1.0
  P  P8  1  0.73  0.43  0.28  1.0
  P  P9  1  0.73  0.5  0.3  1.0
  P  P10  1  0.73  0.64  0.09  1.0
  P  P11  1  0.73  0.72  0.11  1.0
  Pb  Pb12  1  0.0  0.14  0.06  1.0
  Pb  Pb13  1  0.0  0.22  0.52  1.0
  Pb  Pb14  1  0.0  0.0  0.32  1.0
  Pb  Pb15  1  0.0  0.93  0.87  1.0
  Pb  Pb16  1  0.02  0.0  0.19  1.0
  Pb  Pb17  1  0.02  0.07  0.0  1.0
  Pb  Pb18  1  0.44  0.0  0.19  1.0
  Pb  Pb19  1  0.44  0.07  0.0  1.0
  Pb  Pb20  1  0.47  0.48  0.73  1.0
  Pb  Pb21  1  0.47  0.55  0.84  1.0
  Pb  Pb22  1  0.47  0.59  0.54  1.0
  Pb  Pb23  1  0.47  0.67  0.65  1.0
  Pb  Pb24  1  0.73  0.47  0.42  1.0
  Pb  Pb25  1  0.73  0.54  0.77  1.0
  Pb  Pb26  1  0.73  0.6  0.61  1.0
  Pb  Pb27  1  0.73  0.68  0.96  1.0
  Pb  Pb28  1  0.99  0.48  0.73  1.0
  Pb  Pb29  1  0.99  0.55  0.84  1.0
  Pb  Pb30  1  0.99  0.59  0.54  1.0
  Pb  Pb31  1  0.99  0.67  0.65  1.0

B B B B P P P P P P P P Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb
B B B B P P P P P P P P Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb 0 10 o o - 0 2 o - o 0 1 o o o 0 28 o - - 0 9 o o - 1 8 o o - 1 29 o o - 1 11 o o - 1 3 o o o 1 24 o o o 2 19 o o - 3 18 o o - 3 24 o o o 4 6 o o o 4 25 - - o 5 7 o o o 5 14 o o o 6 13 o o o 7 12 o o o 8 11 o o o 8 29 o o o 9 10 o o o 9 28 o - o 10 28 o - o 11 29 o o o 12 26 o o o 15 27 o o o 15 25 - - o 16 22 o o o 16 30 o o o 17 23 o o o 17 31 o o o 18 20 o o o 18 24 o o + 18 31 o o o 19 21 o o o 19 30 o o o 20 31 o o o 21 24 o o + 21 30 o o o 22 30 o o o 23 31 o o o 24 26 o o o 24 29 o o - 30 31 o o o 