data_AlH18C27(NO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   15.99
_cell_length_c   16.06
_cell_angle_alpha   60.2
_cell_angle_beta   89.26
_cell_angle_gamma   88.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH18C27(NO2)3
_chemical_formula_sum   'Al1 H18 C27 N3 O6'
_cell_volume   892.24
_cell_formula_units_Z   1
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  0.27  0.01  0.95  1.0
  H  H1  1  0.49  0.14  0.82  1.0
  H  H2  1  0.48  0.84  0.88  1.0
  H  H3  1  0.5  0.94  0.13  1.0
  H  H4  1  0.01  0.68  0.28  1.0
  H  H5  1  0.93  0.56  0.55  1.0
  H  H6  1  0.42  0.7  0.56  1.0
  H  H7  1  0.48  0.77  0.73  1.0
  H  H8  1  0.0  0.28  0.24  1.0
  H  H9  1  0.97  0.27  0.76  1.0
  H  H10  1  0.21  0.49  0.67  1.0
  H  H11  1  0.58  0.95  0.36  1.0
  H  H12  1  0.69  0.12  0.54  1.0
  H  H13  1  0.07  0.71  0.8  1.0
  H  H14  1  0.28  0.06  0.86  1.0
  H  H15  1  0.06  0.77  0.23  1.0
  H  H16  1  0.29  0.55  0.78  1.0
  H  H17  1  0.72  0.34  0.04  1.0
  H  H18  1  0.31  0.35  0.37  1.0
  C  C19  1  0.27  0.01  0.88  1.0
  C  C20  1  0.29  0.75  0.03  1.0
  C  C21  1  0.27  0.18  0.96  1.0
  C  C22  1  0.45  0.99  0.02  1.0
  C  C23  1  0.48  0.18  0.29  1.0
  C  C24  1  0.53  0.19  0.89  1.0
  C  C25  1  0.52  0.95  0.22  1.0
  C  C26  1  0.48  0.74  0.92  1.0
  C  C27  1  0.45  0.78  0.32  1.0
  C  C28  1  0.56  0.8  0.92  1.0
  C  C29  1  0.52  0.62  0.64  1.0
  C  C30  1  0.17  0.47  0.14  1.0
  C  C31  1  0.86  0.56  0.93  1.0
  C  C32  1  0.94  0.76  0.2  1.0
  C  C33  1  0.26  0.89  0.71  1.0
  C  C34  1  0.9  0.03  0.28  1.0
  C  C35  1  0.95  0.04  0.68  1.0
  C  C36  1  0.26  0.03  0.38  1.0
  C  C37  1  0.56  0.03  0.68  1.0
  C  C38  1  0.55  0.02  0.29  1.0
  C  C39  1  0.22  0.02  0.57  1.0
  C  C40  1  0.76  0.37  0.73  1.0
  C  C41  1  0.66  0.13  0.06  1.0
  C  C42  1  0.33  0.99  0.81  1.0
  C  C43  1  0.05  0.09  0.3  1.0
  C  C44  1  0.1  0.3  0.95  1.0
  C  C45  1  0.45  0.45  0.2  1.0
  N  N46  1  0.62  0.82  0.99  1.0
  N  N47  1  0.62  0.06  0.36  1.0
  N  N48  1  0.98  0.1  0.66  1.0
  O  O49  1  0.23  0.99  0.2  1.0
  O  O50  1  0.21  0.39  0.46  1.0
  O  O51  1  0.2  0.56  0.15  1.0
  O  O52  1  0.34  0.4  0.12  1.0
  O  O53  1  0.35  0.9  0.25  1.0
  O  O54  1  0.32  0.62  0.48  1.0

data_AlH18C27(NO2)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   15.99
_cell_length_c   16.06
_cell_angle_alpha   60.2
_cell_angle_beta   89.26
_cell_angle_gamma   88.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH18C27(NO2)3
_chemical_formula_sum   'Al1 H18 C27 N3 O6'
_cell_volume   892.24
_cell_formula_units_Z   1
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  0.27  0.01  0.95  1.0
  H  H1  1  0.0  0.28  0.24  1.0
  H  H2  1  0.01  0.68  0.28  1.0
  H  H3  1  0.06  0.77  0.23  1.0
  H  H4  1  0.07  0.71  0.8  1.0
  H  H5  1  0.21  0.49  0.67  1.0
  H  H6  1  0.28  0.06  0.86  1.0
  H  H7  1  0.29  0.55  0.78  1.0
  H  H8  1  0.31  0.35  0.37  1.0
  H  H9  1  0.42  0.7  0.56  1.0
  H  H10  1  0.48  0.84  0.88  1.0
  H  H11  1  0.48  0.77  0.73  1.0
  H  H12  1  0.49  0.14  0.82  1.0
  H  H13  1  0.5  0.94  0.13  1.0
  H  H14  1  0.58  0.95  0.36  1.0
  H  H15  1  0.69  0.12  0.54  1.0
  H  H16  1  0.72  0.34  0.04  1.0
  H  H17  1  0.93  0.56  0.55  1.0
  H  H18  1  0.97  0.27  0.76  1.0
  C  C19  1  0.05  0.09  0.3  1.0
  C  C20  1  0.1  0.3  0.95  1.0
  C  C21  1  0.17  0.47  0.14  1.0
  C  C22  1  0.22  0.02  0.57  1.0
  C  C23  1  0.26  0.89  0.71  1.0
  C  C24  1  0.26  0.03  0.38  1.0
  C  C25  1  0.27  0.01  0.88  1.0
  C  C26  1  0.27  0.18  0.96  1.0
  C  C27  1  0.29  0.75  0.03  1.0
  C  C28  1  0.33  0.99  0.81  1.0
  C  C29  1  0.45  0.45  0.2  1.0
  C  C30  1  0.45  0.99  0.02  1.0
  C  C31  1  0.45  0.78  0.32  1.0
  C  C32  1  0.48  0.74  0.92  1.0
  C  C33  1  0.48  0.18  0.29  1.0
  C  C34  1  0.52  0.62  0.64  1.0
  C  C35  1  0.52  0.95  0.22  1.0
  C  C36  1  0.53  0.19  0.89  1.0
  C  C37  1  0.55  0.02  0.29  1.0
  C  C38  1  0.56  0.8  0.92  1.0
  C  C39  1  0.56  0.03  0.68  1.0
  C  C40  1  0.66  0.13  0.06  1.0
  C  C41  1  0.76  0.37  0.73  1.0
  C  C42  1  0.86  0.56  0.93  1.0
  C  C43  1  0.9  0.03  0.28  1.0
  C  C44  1  0.94  0.76  0.2  1.0
  C  C45  1  0.95  0.04  0.68  1.0
  N  N46  1  0.62  0.06  0.36  1.0
  N  N47  1  0.62  0.82  0.99  1.0
  N  N48  1  0.98  0.1  0.66  1.0
  O  O49  1  0.2  0.56  0.15  1.0
  O  O50  1  0.21  0.39  0.46  1.0
  O  O51  1  0.23  0.99  0.2  1.0
  O  O52  1  0.32  0.62  0.48  1.0
  O  O53  1  0.34  0.4  0.12  1.0
  O  O54  1  0.35  0.9  0.25  1.0

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