data_SbPPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.54
_cell_length_b   7.1
_cell_length_c   14.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPPb3
_chemical_formula_sum   'Sb8 P8 Pb24'
_cell_volume   1274.19
_cell_formula_units_Z   8
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
  Sb  Sb32  1  0.31  0.77  0.0  1.0
  Sb  Sb33  1  0.23  0.32  0.16  1.0
  Sb  Sb34  1  0.23  0.32  0.0  1.0
  Sb  Sb35  1  0.31  0.77  0.16  1.0
  Sb  Sb36  1  0.33  0.99  0.73  1.0
  Sb  Sb37  1  0.21  0.11  0.58  1.0
  Sb  Sb38  1  0.21  0.54  0.73  1.0
  Sb  Sb39  1  0.33  0.56  0.58  1.0
  P  P0  1  0.12  0.68  0.63  1.0
  P  P1  1  0.42  0.42  0.47  1.0
  P  P2  1  0.42  0.23  0.84  1.0
  P  P3  1  0.12  0.87  0.68  1.0
  P  P4  1  0.42  0.42  0.68  1.0
  P  P5  1  0.12  0.68  0.84  1.0
  P  P6  1  0.12  0.87  0.47  1.0
  P  P7  1  0.42  0.23  0.63  1.0
  Pb  Pb8  1  0.66  0.77  0.0  1.0
  Pb  Pb9  1  0.88  0.32  0.16  1.0
  Pb  Pb10  1  0.88  0.32  0.0  1.0
  Pb  Pb11  1  0.66  0.77  0.16  1.0
  Pb  Pb12  1  0.86  0.83  0.73  1.0
  Pb  Pb13  1  0.68  0.27  0.58  1.0
  Pb  Pb14  1  0.68  0.38  0.73  1.0
  Pb  Pb15  1  0.86  0.72  0.58  1.0
  Pb  Pb16  1  0.33  0.67  0.57  1.0
  Pb  Pb17  1  0.21  0.43  0.41  1.0
  Pb  Pb18  1  0.21  0.12  0.9  1.0
  Pb  Pb19  1  0.33  0.98  0.74  1.0
  Pb  Pb20  1  0.21  0.43  0.74  1.0
  Pb  Pb21  1  0.33  0.67  0.9  1.0
  Pb  Pb22  1  0.33  0.98  0.41  1.0
  Pb  Pb23  1  0.21  0.12  0.57  1.0
  Pb  Pb24  1  0.12  0.77  0.0  1.0
  Pb  Pb25  1  0.42  0.32  0.16  1.0
  Pb  Pb26  1  0.42  0.32  0.0  1.0
  Pb  Pb27  1  0.12  0.77  0.16  1.0
  Pb  Pb28  1  0.43  0.35  0.73  1.0
  Pb  Pb29  1  0.11  0.75  0.58  1.0
  Pb  Pb30  1  0.11  0.8  0.73  1.0
  Pb  Pb31  1  0.43  0.3  0.58  1.0

data_SbPPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.1
_cell_length_b   12.54
_cell_length_c   14.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPPb3
_chemical_formula_sum   'Sb8 P8 Pb24'
_cell_volume   1274.19
_cell_formula_units_Z   8
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
  Sb  Sb0  1  0.01  0.67  0.27  1.0
  Sb  Sb1  1  0.23  0.69  0.0  1.0
  Sb  Sb2  1  0.23  0.69  0.84  1.0
  Sb  Sb3  1  0.44  0.67  0.42  1.0
  Sb  Sb4  1  0.46  0.79  0.27  1.0
  Sb  Sb5  1  0.68  0.77  0.0  1.0
  Sb  Sb6  1  0.68  0.77  0.84  1.0
  Sb  Sb7  1  0.89  0.79  0.42  1.0
  P  P8  1  0.13  0.88  0.32  1.0
  P  P9  1  0.13  0.88  0.53  1.0
  P  P10  1  0.32  0.88  0.16  1.0
  P  P11  1  0.32  0.88  0.37  1.0
  P  P12  1  0.58  0.58  0.32  1.0
  P  P13  1  0.58  0.58  0.53  1.0
  P  P14  1  0.77  0.58  0.16  1.0
  P  P15  1  0.77  0.58  0.37  1.0
  Pb  Pb16  1  0.02  0.67  0.26  1.0
  Pb  Pb17  1  0.02  0.67  0.59  1.0
  Pb  Pb18  1  0.17  0.14  0.27  1.0
  Pb  Pb19  1  0.2  0.89  0.27  1.0
  Pb  Pb20  1  0.23  0.34  0.0  1.0
  Pb  Pb21  1  0.23  0.34  0.84  1.0
  Pb  Pb22  1  0.23  0.88  0.0  1.0
  Pb  Pb23  1  0.23  0.88  0.84  1.0
  Pb  Pb24  1  0.25  0.89  0.42  1.0
  Pb  Pb25  1  0.28  0.14  0.42  1.0
  Pb  Pb26  1  0.33  0.67  0.1  1.0
  Pb  Pb27  1  0.33  0.67  0.43  1.0
  Pb  Pb28  1  0.57  0.79  0.26  1.0
  Pb  Pb29  1  0.57  0.79  0.59  1.0
  Pb  Pb30  1  0.62  0.32  0.27  1.0
  Pb  Pb31  1  0.65  0.57  0.27  1.0
  Pb  Pb32  1  0.68  0.12  0.0  1.0
  Pb  Pb33  1  0.68  0.12  0.84  1.0
  Pb  Pb34  1  0.68  0.58  0.0  1.0
  Pb  Pb35  1  0.68  0.58  0.84  1.0
  Pb  Pb36  1  0.7  0.57  0.42  1.0
  Pb  Pb37  1  0.73  0.32  0.42  1.0
  Pb  Pb38  1  0.88  0.79  0.1  1.0
  Pb  Pb39  1  0.88  0.79  0.43  1.0

Sb Sb Sb Sb Sb Sb Sb Sb 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 Pb Pb Pb Pb
Sb Sb Sb Sb Sb Sb Sb Sb 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 Pb Pb Pb Pb 0 29 o o - 0 3 o o o 0 32 o o o 1 2 o o o 1 33 o o o 2 26 o o - 2 34 o o o 3 35 o o o 4 27 o o o 5 31 o o o 5 25 o o o 5 30 o - o 6 28 o o o 7 24 o o o 7 25 o o o 8 37 o o o 9 39 o o o 9 25 o o o 9 30 o - o 10 36 o o o 10 34 o o + 11 38 o o o 12 36 o o o 13 38 o o o 13 32 o o + 14 37 o o o 14 25 o o o 14 30 o o o 15 39 o o o 16 19 o o o 17 18 o o o 20 23 o o o 21 22 o o o 24 25 o o o 24 30 o o o 25 37 o o o 25 31 o o o 25 30 o - o 30 31 o + o 30 39 o + o 32 35 o o o 33 34 o o o 