data_H2Pb4C(Cl3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   9.31
_cell_length_c   16.91
_cell_angle_alpha   90.0
_cell_angle_beta   92.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2Pb4C(Cl3O2)2
_chemical_formula_sum   'H4 Pb8 C2 Cl12 O8'
_cell_volume   670.37
_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
  H  H0  1  0.66  0.55  0.24  1.0
  H  H1  1  0.0  0.21  0.66  1.0
  H  H2  1  0.0  0.76  0.66  1.0
  H  H3  1  0.66  0.1  0.24  1.0
  Pb  Pb4  1  0.09  0.33  0.71  1.0
  Pb  Pb5  1  0.57  0.98  0.19  1.0
  Pb  Pb6  1  0.77  0.33  0.65  1.0
  Pb  Pb7  1  0.89  0.98  0.25  1.0
  Pb  Pb8  1  0.3  0.1  0.53  1.0
  Pb  Pb9  1  0.37  0.75  0.37  1.0
  Pb  Pb10  1  0.37  0.22  0.37  1.0
  Pb  Pb11  1  0.3  0.56  0.53  1.0
  C  C12  1  0.61  0.98  0.14  1.0
  C  C13  1  0.05  0.33  0.75  1.0
  Cl  Cl14  1  0.1  0.33  0.7  1.0
  Cl  Cl15  1  0.56  0.98  0.2  1.0
  Cl  Cl16  1  0.22  0.29  0.49  1.0
  Cl  Cl17  1  0.44  0.95  0.41  1.0
  Cl  Cl18  1  0.44  0.02  0.41  1.0
  Cl  Cl19  1  0.22  0.36  0.49  1.0
  Cl  Cl20  1  0.93  0.33  0.68  1.0
  Cl  Cl21  1  0.73  0.98  0.22  1.0
  Cl  Cl22  1  0.9  0.47  0.89  1.0
  Cl  Cl23  1  0.76  0.13  0.0  1.0
  Cl  Cl24  1  0.76  0.84  0.0  1.0
  Cl  Cl25  1  0.9  0.19  0.89  1.0
  O  O26  1  0.7  0.98  0.86  1.0
  O  O27  1  0.96  0.33  0.03  1.0
  O  O28  1  0.64  0.33  0.85  1.0
  O  O29  1  0.02  0.98  0.05  1.0
  O  O30  1  0.12  0.12  0.76  1.0
  O  O31  1  0.54  0.47  0.14  1.0
  O  O32  1  0.54  0.19  0.14  1.0
  O  O33  1  0.12  0.85  0.76  1.0

data_H2Pb4C(Cl3O2)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.26
_cell_length_b   9.31
_cell_length_c   16.91
_cell_angle_alpha   90.0
_cell_angle_beta   92.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   H2Pb4C(Cl3O2)2
_chemical_formula_sum   'H4 Pb8 C2 Cl12 O8'
_cell_volume   670.37
_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
  H  H0  2  0.33  0.4  0.79  1.0
  H  H1  2  0.33  0.95  0.79  1.0
  Pb  Pb2  2  0.03  0.06  0.92  1.0
  Pb  Pb3  2  0.03  0.6  0.92  1.0
  Pb  Pb4  2  0.24  0.83  0.74  1.0
  Pb  Pb5  2  0.44  0.17  0.2  1.0
  C  C6  2  0.28  0.83  0.69  1.0
  Cl  Cl7  2  0.11  0.79  0.96  1.0
  Cl  Cl8  2  0.11  0.86  0.96  1.0
  Cl  Cl9  2  0.23  0.83  0.75  1.0
  Cl  Cl10  2  0.4  0.83  0.77  1.0
  Cl  Cl11  2  0.43  0.97  0.56  1.0
  Cl  Cl12  2  0.43  0.69  0.56  1.0
  O  O13  2  0.21  0.31  0.69  1.0
  O  O14  2  0.21  0.03  0.69  1.0
  O  O15  2  0.31  0.17  0.4  1.0
  O  O16  2  0.37  0.83  0.41  1.0

H H H H Pb Pb Pb Pb Pb Pb Pb Pb C C Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl O O O O O O O O
H H H H Pb Pb Pb Pb Pb Pb Pb Pb C C Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl O O O O O O O O 0 31 o o o 1 6 - o o 1 20 - o o 1 14 o o o 1 4 o o o 1 30 o o o 2 33 o o o 3 15 o - o 3 5 o - o 3 21 o - o 3 7 o - o 3 32 o o o 4 14 o o o 4 13 o o o 4 20 - o o 4 30 o o o 5 15 o o o 5 12 o o o 5 21 o o o 5 32 o + o 6 20 o o o 7 21 o o o 8 16 o o o 8 18 o o o 9 17 o o o 10 16 o o o 10 18 o o o 11 19 o o o 12 32 o + o 13 30 o o o 14 20 - o o 14 30 o o o 15 21 o o o 15 32 o + o 16 19 o o o 17 18 o + o 22 28 o o o 23 29 + - o 23 25 o o - 23 27 o o o 24 29 + o o 25 26 o - o 25 28 o o o 