data_AlH7C14N2Cl2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.98
_cell_length_b   16.98
_cell_length_c   6.67
_cell_angle_alpha   97.59
_cell_angle_beta   97.59
_cell_angle_gamma   87.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH7C14N2Cl2O5
_chemical_formula_sum   'Al2 H14 C28 N4 Cl4 O10'
_cell_volume   1889.06
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.39  0.0  0.28  1.0
  H  H2  1  0.0  0.92  0.64  1.0
  H  H3  1  0.39  0.08  0.92  1.0
  H  H4  1  0.71  0.48  0.78  1.0
  H  H5  1  0.99  0.26  0.36  1.0
  H  H6  1  0.51  0.81  0.43  1.0
  H  H7  1  0.88  0.19  0.13  1.0
  H  H8  1  0.4  0.74  0.2  1.0
  H  H9  1  0.68  0.52  0.78  1.0
  H  H10  1  0.32  0.52  0.5  1.0
  H  H11  1  0.6  0.74  0.08  1.0
  H  H12  1  0.9  0.19  0.71  1.0
  H  H13  1  0.49  0.81  0.85  1.0
  H  H14  1  0.79  0.26  0.48  1.0
  H  H15  1  0.07  0.48  0.06  1.0
  C  C16  1  0.91  0.42  0.55  1.0
  C  C17  1  0.87  0.42  0.29  1.0
  C  C18  1  0.48  0.58  0.01  1.0
  C  C19  1  0.52  0.58  0.27  1.0
  C  C20  1  0.39  0.54  0.08  1.0
  C  C21  1  0.9  0.65  0.49  1.0
  C  C22  1  0.95  0.63  0.25  1.0
  C  C23  1  0.43  0.51  0.62  1.0
  C  C24  1  0.35  0.68  0.74  1.0
  C  C25  1  0.31  0.7  0.98  1.0
  C  C26  1  0.05  0.32  0.82  1.0
  C  C27  1  0.96  0.49  0.94  1.0
  C  C28  1  0.44  0.37  0.31  1.0
  C  C29  1  0.49  0.35  0.07  1.0
  C  C30  1  0.01  0.46  0.48  1.0
  C  C31  1  0.08  0.3  0.58  1.0
  C  C32  1  0.78  0.46  0.36  1.0
  C  C33  1  0.51  0.35  0.21  1.0
  C  C34  1  0.56  0.37  0.97  1.0
  C  C35  1  0.82  0.49  0.9  1.0
  C  C36  1  0.74  0.32  0.03  1.0
  C  C37  1  0.7  0.3  0.26  1.0
  C  C38  1  0.65  0.68  0.54  1.0
  C  C39  1  0.57  0.51  0.66  1.0
  C  C40  1  0.83  0.63  0.59  1.0
  C  C41  1  0.88  0.65  0.35  1.0
  C  C42  1  0.62  0.54  0.2  1.0
  C  C43  1  0.69  0.7  0.3  1.0
  N  N44  1  0.41  0.47  0.51  1.0
  N  N45  1  0.99  0.53  0.05  1.0
  N  N46  1  0.8  0.53  0.79  1.0
  N  N47  1  0.59  0.47  0.77  1.0
  Cl  Cl48  1  0.09  0.68  0.35  1.0
  Cl  Cl49  1  0.3  0.32  0.21  1.0
  Cl  Cl50  1  0.7  0.32  0.07  1.0
  Cl  Cl51  1  0.7  0.68  0.49  1.0
  O  O52  1  0.98  0.36  0.75  1.0
  O  O53  1  0.8  0.36  0.1  1.0
  O  O54  1  0.94  0.12  0.06  1.0
  O  O55  1  0.06  0.12  0.22  1.0
  O  O56  1  0.41  0.64  0.81  1.0
  O  O57  1  0.59  0.64  0.47  1.0
  O  O58  1  0.45  0.88  0.5  1.0
  O  O59  1  0.33  0.88  0.34  1.0
  O  O60  1  0.0  0.89  0.64  1.0
  O  O61  1  0.39  0.11  0.92  1.0

data_AlH7C14N2Cl2O5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.67
_cell_length_b   16.98
_cell_length_c   16.98
_cell_angle_alpha   87.12
_cell_angle_beta   82.41
_cell_angle_gamma   82.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH7C14N2Cl2O5
_chemical_formula_sum   'Al2 H14 C28 N4 Cl4 O10'
_cell_volume   1889.06
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.28  0.61  0.0  1.0
  H  H2  1  0.06  0.93  0.52  1.0
  H  H3  1  0.08  0.4  0.26  1.0
  H  H4  1  0.13  0.12  0.81  1.0
  H  H5  1  0.2  0.6  0.26  1.0
  H  H6  1  0.36  0.01  0.74  1.0
  H  H7  1  0.43  0.49  0.19  1.0
  H  H8  1  0.48  0.21  0.74  1.0
  H  H9  1  0.5  0.68  0.48  1.0
  H  H10  1  0.64  1.0  0.08  1.0
  H  H11  1  0.71  0.1  0.81  1.0
  H  H12  1  0.78  0.32  0.48  1.0
  H  H13  1  0.78  0.29  0.52  1.0
  H  H14  1  0.85  0.51  0.19  1.0
  H  H15  1  0.92  0.61  0.92  1.0
  C  C16  1  0.01  0.52  0.42  1.0
  C  C17  1  0.03  0.26  0.68  1.0
  C  C18  1  0.07  0.51  0.65  1.0
  C  C19  1  0.08  0.61  0.46  1.0
  C  C20  1  0.2  0.38  0.46  1.0
  C  C21  1  0.21  0.49  0.65  1.0
  C  C22  1  0.25  0.05  0.37  1.0
  C  C23  1  0.26  0.3  0.7  1.0
  C  C24  1  0.27  0.48  0.42  1.0
  C  C25  1  0.29  0.13  0.58  1.0
  C  C26  1  0.3  0.31  0.3  1.0
  C  C27  1  0.31  0.56  0.63  1.0
  C  C28  1  0.35  0.12  0.35  1.0
  C  C29  1  0.36  0.22  0.54  1.0
  C  C30  1  0.48  0.99  0.54  1.0
  C  C31  1  0.49  0.1  0.35  1.0
  C  C32  1  0.54  0.35  0.32  1.0
  C  C33  1  0.55  0.09  0.58  1.0
  C  C34  1  0.58  0.92  0.7  1.0
  C  C35  1  0.59  0.17  0.37  1.0
  C  C36  1  0.62  0.57  0.49  1.0
  C  C37  1  0.66  0.43  0.49  1.0
  C  C38  1  0.74  0.65  0.32  1.0
  C  C39  1  0.82  0.95  0.68  1.0
  C  C40  1  0.9  0.18  0.51  1.0
  C  C41  1  0.94  0.04  0.51  1.0
  C  C42  1  0.97  0.44  0.63  1.0
  C  C43  1  0.98  0.69  0.3  1.0
  N  N44  1  0.05  0.01  0.47  1.0
  N  N45  1  0.51  0.59  0.53  1.0
  N  N46  1  0.77  0.41  0.53  1.0
  N  N47  1  0.79  0.2  0.47  1.0
  Cl  Cl48  1  0.07  0.3  0.68  1.0
  Cl  Cl49  1  0.21  0.7  0.68  1.0
  Cl  Cl50  1  0.35  0.91  0.32  1.0
  Cl  Cl51  1  0.49  0.3  0.32  1.0
  O  O52  1  0.06  0.06  0.88  1.0
  O  O53  1  0.1  0.2  0.64  1.0
  O  O54  1  0.22  0.94  0.88  1.0
  O  O55  1  0.34  0.67  0.12  1.0
  O  O56  1  0.47  0.41  0.36  1.0
  O  O57  1  0.5  0.55  0.12  1.0
  O  O58  1  0.64  1.0  0.11  1.0
  O  O59  1  0.75  0.02  0.64  1.0
  O  O60  1  0.81  0.59  0.36  1.0
  O  O61  1  0.92  0.61  0.89  1.0

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