data_CdH10C10(NO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41
_cell_length_b   5.2
_cell_length_c   14.48
_cell_angle_alpha   90.0
_cell_angle_beta   121.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdH10C10(NO)4
_chemical_formula_sum   'Cd2 H20 C20 N8 O8'
_cell_volume   539.87
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.21  0.6  0.17  1.0
  H  H2  1  0.62  0.0  0.09  1.0
  H  H3  1  1.0  0.4  0.08  1.0
  H  H4  1  0.21  0.2  0.25  1.0
  H  H5  1  0.84  0.81  0.26  1.0
  H  H6  1  0.08  0.65  0.34  1.0
  H  H7  1  0.54  0.04  0.83  1.0
  H  H8  1  0.75  0.56  0.0  1.0
  H  H9  1  0.3  0.16  0.51  1.0
  H  H10  1  0.18  0.37  0.26  1.0
  H  H11  1  0.44  0.98  0.91  1.0
  H  H12  1  0.65  0.83  0.08  1.0
  H  H13  1  0.4  0.23  0.43  1.0
  H  H14  1  0.54  0.79  0.07  1.0
  H  H15  1  0.08  0.39  0.1  1.0
  H  H16  1  0.3  0.42  0.27  1.0
  H  H17  1  0.75  0.82  0.25  1.0
  H  H18  1  0.83  0.83  0.33  1.0
  H  H19  1  0.79  0.43  0.84  1.0
  H  H20  1  0.0  0.38  0.01  1.0
  H  H21  1  0.05  0.78  0.5  1.0
  C  C22  1  0.91  0.83  0.72  1.0
  C  C23  1  0.71  0.23  0.45  1.0
  C  C24  1  0.92  0.37  0.62  1.0
  C  C25  1  0.13  0.98  0.9  1.0
  C  C26  1  0.11  0.12  0.34  1.0
  C  C27  1  0.51  0.52  0.83  1.0
  C  C28  1  0.73  0.08  1.0  1.0
  C  C29  1  0.32  0.69  0.51  1.0
  C  C30  1  0.62  0.48  0.84  1.0
  C  C31  1  0.0  0.08  0.33  1.0
  C  C32  1  0.22  0.73  0.5  1.0
  C  C33  1  0.83  0.12  0.01  1.0
  C  C34  1  0.88  0.76  0.88  1.0
  C  C35  1  0.74  0.37  0.29  1.0
  C  C36  1  0.96  0.44  0.46  1.0
  C  C37  1  0.09  0.84  0.05  1.0
  C  C38  1  0.18  0.04  0.2  1.0
  C  C39  1  0.44  0.65  0.97  1.0
  C  C40  1  0.65  0.16  0.14  1.0
  C  C41  1  0.4  0.56  0.37  1.0
  N  N42  1  0.99  0.81  0.04  1.0
  N  N43  1  0.63  0.21  0.13  1.0
  N  N44  1  0.84  0.39  0.3  1.0
  N  N45  1  0.21  0.99  0.21  1.0
  N  N46  1  0.9  0.09  0.04  1.0
  N  N47  1  0.72  0.69  0.13  1.0
  N  N48  1  0.93  0.12  0.3  1.0
  N  N49  1  0.12  0.51  0.21  1.0
  O  O50  1  0.3  0.76  0.11  1.0
  O  O51  1  0.32  0.36  0.06  1.0
  O  O52  1  0.53  0.45  0.23  1.0
  O  O53  1  0.52  0.84  0.28  1.0
  O  O54  1  0.97  0.0  0.26  1.0
  O  O55  1  0.65  0.4  0.91  1.0
  O  O56  1  0.87  0.2  0.08  1.0
  O  O57  1  0.18  0.8  0.43  1.0

data_CdH10C10(NO)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.2
_cell_length_b   8.41
_cell_length_c   12.37
_cell_angle_alpha   93.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdH10C10(NO)4
_chemical_formula_sum   'Cd2 H20 C20 N8 O8'
_cell_volume   539.87
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.6  0.96  0.17  1.0
  H  H2  1  0.0  0.47  0.09  1.0
  H  H3  1  0.04  0.29  0.83  1.0
  H  H4  1  0.16  0.21  0.51  1.0
  H  H5  1  0.2  0.04  0.25  1.0
  H  H6  1  0.23  0.03  0.43  1.0
  H  H7  1  0.37  0.08  0.26  1.0
  H  H8  1  0.38  0.01  0.01  1.0
  H  H9  1  0.39  0.01  0.1  1.0
  H  H10  1  0.4  0.09  0.08  1.0
  H  H11  1  0.42  0.97  0.27  1.0
  H  H12  1  0.43  0.05  0.84  1.0
  H  H13  1  0.56  0.25  0.0  1.0
  H  H14  1  0.65  0.26  0.34  1.0
  H  H15  1  0.78  0.45  0.5  1.0
  H  H16  1  0.79  0.54  0.07  1.0
  H  H17  1  0.81  0.42  0.26  1.0
  H  H18  1  0.82  0.49  0.25  1.0
  H  H19  1  0.83  0.5  0.33  1.0
  H  H20  1  0.83  0.43  0.08  1.0
  H  H21  1  0.98  0.47  0.91  1.0
  C  C22  1  0.04  0.02  0.2  1.0
  C  C23  1  0.08  0.33  0.33  1.0
  C  C24  1  0.08  0.27  1.0  1.0
  C  C25  1  0.12  0.24  0.34  1.0
  C  C26  1  0.12  0.18  0.01  1.0
  C  C27  1  0.16  0.49  0.14  1.0
  C  C28  1  0.23  0.74  0.45  1.0
  C  C29  1  0.37  0.55  0.29  1.0
  C  C30  1  0.37  0.7  0.62  1.0
  C  C31  1  0.44  0.51  0.46  1.0
  C  C32  1  0.48  0.22  0.84  1.0
  C  C33  1  0.52  0.31  0.83  1.0
  C  C34  1  0.56  0.97  0.37  1.0
  C  C35  1  0.65  0.53  0.97  1.0
  C  C36  1  0.69  0.19  0.51  1.0
  C  C37  1  0.73  0.29  0.5  1.0
  C  C38  1  0.76  1.0  0.88  1.0
  C  C39  1  0.83  0.81  0.72  1.0
  C  C40  1  0.84  0.95  0.05  1.0
  C  C41  1  0.98  0.77  0.9  1.0
  N  N42  1  0.09  0.14  0.04  1.0
  N  N43  1  0.12  0.37  0.3  1.0
  N  N44  1  0.21  0.5  0.13  1.0
  N  N45  1  0.39  0.46  0.3  1.0
  N  N46  1  0.51  0.1  0.21  1.0
  N  N47  1  0.69  0.41  0.13  1.0
  N  N48  1  0.81  0.05  0.04  1.0
  N  N49  1  0.99  0.0  0.21  1.0
  O  O50  1  0.0  0.29  0.26  1.0
  O  O51  1  0.2  0.22  0.08  1.0
  O  O52  1  0.36  0.74  0.06  1.0
  O  O53  1  0.4  0.26  0.91  1.0
  O  O54  1  0.45  0.7  0.23  1.0
  O  O55  1  0.76  0.81  0.11  1.0
  O  O56  1  0.8  0.25  0.43  1.0
  O  O57  1  0.84  0.76  0.28  1.0

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