data_Pb13(Cl3O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92
_cell_length_b   8.92
_cell_length_c   23.8
_cell_angle_alpha   97.25
_cell_angle_beta   97.25
_cell_angle_gamma   46.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb13(Cl3O5)2
_chemical_formula_sum   'Pb26 Cl12 O20'
_cell_volume   1366.61
_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
  Pb  Pb0  1  0.3  0.98  0.64  1.0
  Pb  Pb1  1  0.54  0.59  0.96  1.0
  Pb  Pb2  1  0.17  0.46  0.42  1.0
  Pb  Pb3  1  0.29  0.46  0.93  1.0
  Pb  Pb4  1  0.23  0.61  0.61  1.0
  Pb  Pb5  1  0.94  0.02  0.85  1.0
  Pb  Pb6  1  0.17  0.19  0.3  1.0
  Pb  Pb7  1  0.58  0.29  0.31  1.0
  Pb  Pb8  1  0.92  0.54  0.14  1.0
  Pb  Pb9  1  0.73  0.13  0.68  1.0
  Pb  Pb10  1  0.8  0.81  0.51  1.0
  Pb  Pb11  1  0.86  0.39  0.82  1.0
  Pb  Pb12  1  0.52  0.71  0.26  1.0
  Pb  Pb13  1  0.94  0.71  0.09  1.0
  Pb  Pb14  1  0.81  0.54  0.64  1.0
  Pb  Pb15  1  0.15  0.29  0.48  1.0
  Pb  Pb16  1  0.79  0.02  0.93  1.0
  Pb  Pb17  1  0.15  0.98  0.72  1.0
  Pb  Pb18  1  0.29  0.19  0.05  1.0
  Pb  Pb19  1  0.17  0.41  0.17  1.0
  Pb  Pb20  1  0.92  0.81  0.27  1.0
  Pb  Pb21  1  0.23  0.61  0.75  1.0
  Pb  Pb22  1  0.87  0.39  0.96  1.0
  Pb  Pb23  1  0.92  0.59  0.4  1.0
  Pb  Pb24  1  0.56  0.41  0.61  1.0
  Pb  Pb25  1  0.36  0.87  0.89  1.0
  Cl  Cl26  1  0.06  0.11  0.81  1.0
  Cl  Cl27  1  0.6  0.79  0.95  1.0
  Cl  Cl28  1  0.52  0.73  0.59  1.0
  Cl  Cl29  1  0.2  0.73  0.19  1.0
  Cl  Cl30  1  0.96  0.21  0.74  1.0
  Cl  Cl31  1  0.57  0.27  0.98  1.0
  Cl  Cl32  1  0.03  0.89  0.75  1.0
  Cl  Cl33  1  0.13  0.79  0.83  1.0
  Cl  Cl34  1  0.89  0.27  0.38  1.0
  Cl  Cl35  1  0.5  0.21  0.62  1.0
  Cl  Cl36  1  0.7  0.89  0.03  1.0
  Cl  Cl37  1  0.4  0.11  0.54  1.0
  O  O38  1  0.71  0.06  0.26  1.0
  O  O39  1  0.24  0.09  0.35  1.0
  O  O40  1  0.37  0.94  0.15  1.0
  O  O41  1  0.57  0.2  0.46  1.0
  O  O42  1  0.35  0.94  0.47  1.0
  O  O43  1  0.72  0.06  0.42  1.0
  O  O44  1  0.74  0.06  0.1  1.0
  O  O45  1  0.49  0.09  0.43  1.0
  O  O46  1  0.93  0.8  0.25  1.0
  O  O47  1  0.01  0.06  0.37  1.0
  O  O48  1  0.38  0.98  0.35  1.0
  O  O49  1  0.01  0.02  0.57  1.0
  O  O50  1  0.6  0.91  0.14  1.0
  O  O51  1  0.08  0.98  1.0  1.0
  O  O52  1  0.08  0.94  0.2  1.0
  O  O53  1  0.16  0.2  0.32  1.0
  O  O54  1  0.38  0.94  0.31  1.0
  O  O55  1  0.52  0.8  0.11  1.0
  O  O56  1  0.71  0.02  0.21  1.0
  O  O57  1  0.85  0.91  0.22  1.0

data_Pb13(Cl3O5)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.09
_cell_length_b   8.92
_cell_length_c   23.8
_cell_angle_alpha   97.25
_cell_angle_beta   90.0
_cell_angle_gamma   113.42
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pb13(Cl3O5)2
_chemical_formula_sum   'Pb26 Cl12 O20'
_cell_volume   1366.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Pb  Pb0  2  0.02  0.27  0.15  1.0
  Pb  Pb1  2  0.02  0.42  0.07  1.0
  Pb  Pb2  2  0.13  0.31  0.89  1.0
  Pb  Pb3  2  0.19  0.81  0.51  1.0
  Pb  Pb4  2  0.19  0.93  0.27  1.0
  Pb  Pb5  2  0.29  0.32  0.52  1.0
  Pb  Pb6  2  0.29  0.9  0.69  1.0
  Pb  Pb7  2  0.39  0.71  0.04  1.0
  Pb  Pb8  2  0.39  0.71  0.18  1.0
  Pb  Pb9  2  0.41  0.03  0.39  1.0
  Pb  Pb10  2  0.41  0.42  0.83  1.0
  Pb  Pb11  2  0.46  0.08  0.64  1.0
  Pb  Pb12  2  0.46  0.2  0.14  1.0
  Cl  Cl13  2  0.11  0.62  0.03  1.0
  Cl  Cl14  2  0.11  0.96  0.75  1.0
  Cl  Cl15  2  0.21  0.16  0.83  1.0
  Cl  Cl16  2  0.21  0.62  0.95  1.0
  Cl  Cl17  2  0.27  0.29  0.19  1.0
  Cl  Cl18  2  0.27  0.61  0.59  1.0
  O  O19  2  0.02  0.18  0.43  1.0
  O  O20  2  0.02  0.48  0.79  1.0
  O  O21  2  0.06  0.23  0.63  1.0
  O  O22  2  0.06  0.52  0.58  1.0
  O  O23  2  0.06  0.23  0.47  1.0
  O  O24  2  0.06  0.26  0.31  1.0
  O  O25  2  0.09  0.04  0.65  1.0
  O  O26  2  0.09  0.78  0.57  1.0
  O  O27  2  0.2  0.22  0.68  1.0
  O  O28  2  0.2  0.81  0.54  1.0

Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl O O O O O O O O O O O O O O O O O O O O