data_H10PbC12NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   9.03
_cell_length_c   9.92
_cell_angle_alpha   79.29
_cell_angle_beta   71.3
_cell_angle_gamma   86.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H10PbC12NO5
_chemical_formula_sum   'H20 Pb2 C24 N2 O10'
_cell_volume   598.62
_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  0.05  0.2  0.75  1.0
  H  H1  1  0.89  0.45  0.51  1.0
  H  H2  1  0.47  0.05  0.98  1.0
  H  H3  1  0.47  0.6  0.27  1.0
  H  H4  1  0.38  0.41  0.24  1.0
  H  H5  1  0.56  0.25  0.01  1.0
  H  H6  1  0.12  0.67  0.38  1.0
  H  H7  1  0.82  0.98  0.87  1.0
  H  H8  1  0.04  0.3  0.48  1.0
  H  H9  1  0.91  0.35  0.77  1.0
  H  H10  1  0.4  0.52  0.74  1.0
  H  H11  1  0.55  0.13  0.52  1.0
  H  H12  1  0.34  0.29  0.46  1.0
  H  H13  1  0.61  0.36  0.8  1.0
  H  H14  1  0.21  0.59  0.97  1.0
  H  H15  1  0.73  0.06  0.29  1.0
  H  H16  1  0.07  0.48  1.0  1.0
  H  H17  1  0.87  0.17  0.26  1.0
  H  H18  1  0.76  0.74  0.31  1.0
  H  H19  1  0.18  0.91  0.94  1.0
  Pb  Pb20  1  0.35  0.85  0.22  1.0
  Pb  Pb21  1  0.59  0.8  0.03  1.0
  C  C22  1  0.57  0.6  0.11  1.0
  C  C23  1  0.38  0.05  0.15  1.0
  C  C24  1  0.26  0.38  0.02  1.0
  C  C25  1  0.68  0.27  0.23  1.0
  C  C26  1  0.53  0.07  0.62  1.0
  C  C27  1  0.41  0.59  0.63  1.0
  C  C28  1  0.8  0.02  0.22  1.0
  C  C29  1  0.14  0.63  0.04  1.0
  C  C30  1  0.09  0.32  0.26  1.0
  C  C31  1  0.86  0.33  0.99  1.0
  C  C32  1  0.31  0.98  0.64  1.0
  C  C33  1  0.63  0.67  0.61  1.0
  C  C34  1  0.78  0.53  0.21  1.0
  C  C35  1  0.16  0.12  0.04  1.0
  C  C36  1  0.93  0.66  0.58  1.0
  C  C37  1  0.01  0.99  0.68  1.0
  C  C38  1  0.26  0.27  0.94  1.0
  C  C39  1  0.68  0.38  0.31  1.0
  C  C40  1  0.53  0.74  0.57  1.0
  C  C41  1  0.42  0.91  0.68  1.0
  C  C42  1  0.12  0.39  0.28  1.0
  C  C43  1  0.82  0.26  0.98  1.0
  C  C44  1  0.06  0.98  0.33  1.0
  C  C45  1  0.88  0.67  0.92  1.0
  N  N46  1  0.94  0.58  0.72  1.0
  N  N47  1  0.0  0.07  0.54  1.0
  O  O48  1  0.86  0.26  0.67  1.0
  O  O49  1  0.09  0.39  0.59  1.0
  O  O50  1  1.0  0.77  0.05  1.0
  O  O51  1  0.95  0.88  0.21  1.0
  O  O52  1  0.03  0.03  0.59  1.0
  O  O53  1  0.92  0.62  0.67  1.0
  O  O54  1  0.09  0.27  0.9  1.0
  O  O55  1  0.85  0.38  0.36  1.0
  O  O56  1  0.2  0.69  0.8  1.0
  O  O57  1  0.74  0.96  0.46  1.0

data_H10PbC12NO5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.18
_cell_length_b   9.03
_cell_length_c   9.92
_cell_angle_alpha   79.29
_cell_angle_beta   71.3
_cell_angle_gamma   86.29
_symmetry_Int_Tables_number   2
_chemical_formula_structural   H10PbC12NO5
_chemical_formula_sum   'H20 Pb2 C24 N2 O10'
_cell_volume   598.62
_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  0.0  0.27  0.15  1.0
  H  H1  2  0.07  0.81  0.39  1.0
  H  H2  2  0.09  0.92  0.89  1.0
  H  H3  2  0.13  0.03  0.67  1.0
  H  H4  2  0.26  0.74  0.16  1.0
  H  H5  2  0.29  0.42  0.18  1.0
  H  H6  2  0.35  0.65  0.74  1.0
  H  H7  2  0.4  0.84  0.13  1.0
  H  H8  2  0.42  0.12  0.38  1.0
  H  H9  2  0.44  0.03  0.65  1.0
  Pb  Pb10  2  0.12  0.47  0.91  1.0
  C  C11  2  0.06  0.41  0.45  1.0
  C  C12  2  0.06  0.74  0.5  1.0
  C  C13  2  0.09  0.27  0.98  1.0
  C  C14  2  0.16  0.35  0.48  1.0
  C  C15  2  0.21  0.06  0.18  1.0
  C  C16  2  0.21  0.94  0.1  1.0
  C  C17  2  0.31  0.21  0.09  1.0
  C  C18  2  0.33  0.7  0.09  1.0
  C  C19  2  0.35  0.93  0.85  1.0
  C  C20  2  0.38  0.01  0.87  1.0
  C  C21  2  0.41  0.34  0.79  1.0
  C  C22  2  0.46  0.34  0.45  1.0
  N  N23  2  0.47  0.25  0.59  1.0
  O  O24  2  0.27  0.63  0.33  1.0
  O  O25  2  0.38  0.05  0.23  1.0
  O  O26  2  0.38  0.94  0.54  1.0
  O  O27  2  0.44  0.3  0.54  1.0
  O  O28  2  0.47  0.55  0.08  1.0

H H H H H H H H H H H H H H H H H H H H Pb Pb C C C C C C C C C C C C C C C C C C C C C C C C N N O O O O O O O O O O
H H H H H H H H H H H H H H H H H H H H Pb Pb C C C C C C C C C C C C C C C C C C C C C C C C N N O O O O O O O O O O 0 48 - o o 0 9 - o o 0 49 o o o 0 54 o o o 0 7 - - o 1 55 o o o 1 48 o o o 1 8 + o o 1 49 + o o 1 6 + o o 2 23 o o + 2 5 o o + 2 7 o - o 3 22 o o o 3 4 o o o 3 6 o o o 4 42 o o o 4 30 o o o 4 12 o o o 4 22 o o o 5 23 o o o 5 13 o o - 5 43 o o - 5 31 o o - 6 36 - o o 6 20 o o o 7 21 o o + 7 37 + o o 8 47 o o o 8 48 - o o 8 42 o o o 8 30 o o o 8 49 o o o 8 12 o o o 9 48 o o o 9 43 o o o 9 31 o o o 9 49 + o o 9 46 o o o 9 13 o o o 10 27 o o o 10 13 o o o 10 56 o o o 11 26 o o o 11 12 o o o 11 57 o - o 12 49 o o o 12 39 o o o 13 38 o o o 13 48 o o o 14 29 o o + 14 16 o o o 14 45 - o o 14 56 o o o 15 28 o o o 15 17 o o o 15 44 + - o 15 57 o - o 16 24 o o + 16 29 o o + 16 45 - o o 17 28 o o o 17 25 o o o 17 44 + - o 18 51 o o o 19 50 - o + 20 21 o o o 20 23 o + o 20 44 o o o 21 22 o o o 21 45 o o - 22 45 o o - 23 44 o - o 24 38 o o - 25 39 o o o 26 57 o - o 27 56 o o o 28 44 + - o 28 51 o - o 28 57 o - o 29 45 - o - 29 50 - o o 29 56 o o - 30 42 o o o 30 55 - o o 31 43 o o o 31 54 + o o 32 41 o o o 33 40 o o o 34 39 o o o 35 38 o o - 36 53 o o o 37 52 o + o 38 54 o o o 39 55 o o o 42 55 - o o 43 54 + o o 44 51 - o o 44 57 - o o 44 52 o + o 44 47 o + o 45 53 o o o 45 46 o o o 45 56 + o o 45 50 o o + 46 53 o o o 47 52 o o o 48 49 + o o 50 51 o o o 