data_AlH10C12N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   10.98
_cell_length_c   16.85
_cell_angle_alpha   72.79
_cell_angle_beta   84.03
_cell_angle_gamma   74.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH10C12N2O5
_chemical_formula_sum   'Al2 H20 C24 N4 O10'
_cell_volume   1134.38
_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
  Al  Al0  1  0.69  0.6  0.05  1.0
  Al  Al1  1  0.35  0.61  0.03  1.0
  H  H2  1  0.04  0.84  0.75  1.0
  H  H3  1  0.37  0.96  0.68  1.0
  H  H4  1  0.76  0.84  0.08  1.0
  H  H5  1  0.5  0.62  0.45  1.0
  H  H6  1  0.59  0.69  0.11  1.0
  H  H7  1  0.73  0.65  0.94  1.0
  H  H8  1  0.85  0.65  0.65  1.0
  H  H9  1  0.61  0.38  0.04  1.0
  H  H10  1  0.28  0.49  0.23  1.0
  H  H11  1  0.07  0.75  0.8  1.0
  H  H12  1  0.77  0.83  0.17  1.0
  H  H13  1  0.94  0.59  0.62  1.0
  H  H14  1  0.89  0.28  0.3  1.0
  H  H15  1  0.48  0.01  0.83  1.0
  H  H16  1  0.39  0.63  0.41  1.0
  H  H17  1  0.52  0.52  0.86  1.0
  H  H18  1  0.59  0.43  0.43  1.0
  H  H19  1  1.0  0.82  0.11  1.0
  H  H20  1  0.69  0.78  0.76  1.0
  H  H21  1  0.22  0.32  0.32  1.0
  C  C22  1  0.37  0.03  0.85  1.0
  C  C23  1  0.31  0.96  0.72  1.0
  C  C24  1  0.99  0.2  0.2  1.0
  C  C25  1  0.05  0.26  0.38  1.0
  C  C26  1  0.99  0.8  0.77  1.0
  C  C27  1  0.86  0.46  0.54  1.0
  C  C28  1  0.37  0.89  0.85  1.0
  C  C29  1  0.72  0.69  0.41  1.0
  C  C30  1  0.84  0.05  0.64  1.0
  C  C31  1  0.0  0.63  0.32  1.0
  C  C32  1  0.49  0.26  0.42  1.0
  C  C33  1  0.61  0.62  0.66  1.0
  C  C34  1  0.98  0.39  0.24  1.0
  C  C35  1  0.5  0.79  0.56  1.0
  C  C36  1  0.36  0.45  0.32  1.0
  C  C37  1  0.33  0.66  0.75  1.0
  C  C38  1  0.06  0.73  0.09  1.0
  C  C39  1  0.3  0.51  0.92  1.0
  C  C40  1  0.97  0.94  0.62  1.0
  C  C41  1  0.4  0.31  0.37  1.0
  C  C42  1  0.1  0.13  0.57  1.0
  C  C43  1  0.26  0.11  0.45  1.0
  C  C44  1  0.21  0.11  0.57  1.0
  C  C45  1  0.11  0.18  0.5  1.0
  N  N46  1  0.72  0.18  0.74  1.0
  N  N47  1  0.62  0.14  0.33  1.0
  N  N48  1  0.78  0.46  0.18  1.0
  N  N49  1  0.65  0.79  0.68  1.0
  O  O50  1  0.28  0.39  0.65  1.0
  O  O51  1  0.41  0.36  0.24  1.0
  O  O52  1  0.85  0.77  0.04  1.0
  O  O53  1  0.19  0.19  0.82  1.0
  O  O54  1  0.07  0.84  0.44  1.0
  O  O55  1  0.95  0.88  0.85  1.0
  O  O56  1  0.51  0.47  1.0  1.0
  O  O57  1  0.18  0.98  0.31  1.0
  O  O58  1  0.02  0.1  0.38  1.0
  O  O59  1  0.36  0.13  0.73  1.0

data_AlH10C12N2O5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.66
_cell_length_b   10.98
_cell_length_c   16.85
_cell_angle_alpha   72.79
_cell_angle_beta   84.03
_cell_angle_gamma   74.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH10C12N2O5
_chemical_formula_sum   'Al2 H20 C24 N4 O10'
_cell_volume   1134.38
_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
  Al  Al0  1  0.35  0.61  0.03  1.0
  Al  Al1  1  0.69  0.6  0.05  1.0
  H  H2  1  0.04  0.84  0.75  1.0
  H  H3  1  0.07  0.75  0.8  1.0
  H  H4  1  0.22  0.32  0.32  1.0
  H  H5  1  0.28  0.49  0.23  1.0
  H  H6  1  0.37  0.96  0.68  1.0
  H  H7  1  0.39  0.63  0.41  1.0
  H  H8  1  0.48  0.01  0.83  1.0
  H  H9  1  0.5  0.62  0.45  1.0
  H  H10  1  0.52  0.52  0.86  1.0
  H  H11  1  0.59  0.43  0.43  1.0
  H  H12  1  0.59  0.69  0.11  1.0
  H  H13  1  0.61  0.38  0.04  1.0
  H  H14  1  0.69  0.78  0.76  1.0
  H  H15  1  0.73  0.65  0.94  1.0
  H  H16  1  0.76  0.84  0.08  1.0
  H  H17  1  0.77  0.83  0.17  1.0
  H  H18  1  0.85  0.65  0.65  1.0
  H  H19  1  0.89  0.28  0.3  1.0
  H  H20  1  0.94  0.59  0.62  1.0
  H  H21  1  1.0  0.82  0.11  1.0
  C  C22  1  0.0  0.63  0.32  1.0
  C  C23  1  0.05  0.26  0.38  1.0
  C  C24  1  0.06  0.73  0.09  1.0
  C  C25  1  0.1  0.13  0.57  1.0
  C  C26  1  0.11  0.18  0.5  1.0
  C  C27  1  0.21  0.11  0.57  1.0
  C  C28  1  0.26  0.11  0.45  1.0
  C  C29  1  0.3  0.51  0.92  1.0
  C  C30  1  0.31  0.96  0.72  1.0
  C  C31  1  0.33  0.66  0.75  1.0
  C  C32  1  0.36  0.45  0.32  1.0
  C  C33  1  0.37  0.03  0.85  1.0
  C  C34  1  0.37  0.89  0.85  1.0
  C  C35  1  0.4  0.31  0.37  1.0
  C  C36  1  0.49  0.26  0.42  1.0
  C  C37  1  0.5  0.79  0.56  1.0
  C  C38  1  0.61  0.62  0.66  1.0
  C  C39  1  0.72  0.69  0.41  1.0
  C  C40  1  0.84  0.05  0.64  1.0
  C  C41  1  0.86  0.46  0.54  1.0
  C  C42  1  0.97  0.94  0.62  1.0
  C  C43  1  0.98  0.39  0.24  1.0
  C  C44  1  0.99  0.2  0.2  1.0
  C  C45  1  0.99  0.8  0.77  1.0
  N  N46  1  0.62  0.14  0.33  1.0
  N  N47  1  0.65  0.79  0.68  1.0
  N  N48  1  0.72  0.18  0.74  1.0
  N  N49  1  0.78  0.46  0.18  1.0
  O  O50  1  0.02  0.1  0.38  1.0
  O  O51  1  0.07  0.84  0.44  1.0
  O  O52  1  0.18  0.98  0.31  1.0
  O  O53  1  0.19  0.19  0.82  1.0
  O  O54  1  0.28  0.39  0.65  1.0
  O  O55  1  0.36  0.13  0.73  1.0
  O  O56  1  0.41  0.36  0.24  1.0
  O  O57  1  0.51  0.47  1.0  1.0
  O  O58  1  0.85  0.77  0.04  1.0
  O  O59  1  0.95  0.88  0.85  1.0

Al Al 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 C C C C N N N N O O O O O O O O O O