data_Sb2P7Pb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17
_cell_length_b   9.17
_cell_length_c   9.17
_cell_angle_alpha   116.54
_cell_angle_beta   108.8
_cell_angle_gamma   103.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2P7Pb2
_chemical_formula_sum   'Sb4 P14 Pb4'
_cell_volume   585.11
_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
  Sb  Sb18  1  0.23  0.25  0.32  1.0
  Sb  Sb19  1  0.59  0.08  0.01  1.0
  Sb  Sb20  1  0.0  0.0  0.16  1.0
  Sb  Sb21  1  0.82  0.0  0.16  1.0
  P  P0  1  0.78  0.04  0.42  1.0
  P  P1  1  0.04  0.3  0.73  1.0
  P  P2  1  0.78  0.3  0.73  1.0
  P  P3  1  0.04  0.04  0.42  1.0
  P  P4  1  0.34  0.48  0.47  1.0
  P  P5  1  0.66  0.19  0.47  1.0
  P  P6  1  0.34  0.86  0.15  1.0
  P  P7  1  0.49  0.48  0.47  1.0
  P  P8  1  0.51  0.04  0.67  1.0
  P  P9  1  0.32  0.29  0.35  1.0
  P  P10  1  0.51  0.29  0.35  1.0
  P  P11  1  0.32  0.04  0.67  1.0
  P  P12  1  0.41  0.17  0.95  1.0
  P  P13  1  0.59  0.51  0.95  1.0
  Pb  Pb14  1  0.41  0.92  0.52  1.0
  Pb  Pb15  1  0.41  0.42  0.2  1.0
  Pb  Pb16  1  0.0  0.0  0.93  1.0
  Pb  Pb17  1  0.0  0.34  0.24  1.0

data_Sb2P7Pb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.17
_cell_length_b   9.17
_cell_length_c   9.17
_cell_angle_alpha   103.35
_cell_angle_beta   108.8
_cell_angle_gamma   116.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2P7Pb2
_chemical_formula_sum   'Sb4 P14 Pb4'
_cell_volume   585.11
_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
  Sb  Sb0  1  0.01  0.42  0.92  1.0
  Sb  Sb1  1  0.16  0.16  0.16  1.0
  Sb  Sb2  1  0.16  0.34  0.16  1.0
  Sb  Sb3  1  0.32  0.09  0.07  1.0
  P  P4  1  0.15  0.82  0.3  1.0
  P  P5  1  0.35  0.04  0.06  1.0
  P  P6  1  0.35  0.85  0.06  1.0
  P  P7  1  0.42  0.37  0.38  1.0
  P  P8  1  0.42  0.64  0.38  1.0
  P  P9  1  0.47  0.13  0.99  1.0
  P  P10  1  0.47  0.8  0.27  1.0
  P  P11  1  0.47  0.98  0.99  1.0
  P  P12  1  0.67  0.16  0.62  1.0
  P  P13  1  0.67  0.35  0.62  1.0
  P  P14  1  0.73  0.69  0.43  1.0
  P  P15  1  0.73  0.95  0.43  1.0
  P  P16  1  0.95  0.36  0.45  1.0
  P  P17  1  0.95  0.54  0.79  1.0
  Pb  Pb18  1  0.2  0.79  0.78  1.0
  Pb  Pb19  1  0.24  0.24  0.91  1.0
  Pb  Pb20  1  0.52  0.1  0.59  1.0
  Pb  Pb21  1  0.93  0.93  0.93  1.0

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