data_AlH12C33(ClO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   20.44
_cell_length_c   20.48
_cell_angle_alpha   60.08
_cell_angle_beta   87.05
_cell_angle_gamma   87.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH12C33(ClO2)3
_chemical_formula_sum   'Al1 H12 C33 Cl3 O6'
_cell_volume   1437.24
_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  0.2  0.28  0.87  1.0
  H  H1  1  0.35  0.47  0.54  1.0
  H  H2  1  0.34  0.42  0.04  1.0
  H  H3  1  1.0  0.6  0.46  1.0
  H  H4  1  0.06  0.75  0.19  1.0
  H  H5  1  0.92  0.24  0.6  1.0
  H  H6  1  0.83  0.07  0.37  1.0
  H  H7  1  0.38  0.36  0.58  1.0
  H  H8  1  0.37  0.54  0.36  1.0
  H  H9  1  0.04  0.1  0.59  1.0
  H  H10  1  0.12  0.12  0.09  1.0
  H  H11  1  0.31  0.93  0.45  1.0
  H  H12  1  0.13  0.8  0.16  1.0
  C  C13  1  0.18  0.29  0.93  1.0
  C  C14  1  0.17  0.5  0.84  1.0
  C  C15  1  0.18  0.06  0.83  1.0
  C  C16  1  0.84  0.25  0.11  1.0
  C  C17  1  0.84  0.23  0.5  1.0
  C  C18  1  0.53  0.46  0.86  1.0
  C  C19  1  0.56  0.66  0.15  1.0
  C  C20  1  0.42  0.12  0.64  1.0
  C  C21  1  0.37  0.92  0.95  1.0
  C  C22  1  0.85  0.46  0.63  1.0
  C  C23  1  0.85  0.67  0.95  1.0
  C  C24  1  0.56  0.31  0.14  1.0
  C  C25  1  0.6  0.32  0.52  1.0
  C  C26  1  0.75  0.09  0.85  1.0
  C  C27  1  0.65  0.9  0.14  1.0
  C  C28  1  0.19  0.28  0.42  1.0
  C  C29  1  0.23  0.27  0.22  1.0
  C  C30  1  0.26  0.27  0.64  1.0
  C  C31  1  0.25  0.09  0.11  1.0
  C  C32  1  0.32  0.09  0.52  1.0
  C  C33  1  0.19  0.35  0.09  1.0
  C  C34  1  0.22  0.78  0.69  1.0
  C  C35  1  0.25  0.01  0.99  1.0
  C  C36  1  0.23  0.65  0.38  1.0
  C  C37  1  0.31  0.86  0.67  1.0
  C  C38  1  0.12  0.21  0.1  1.0
  C  C39  1  0.97  0.79  0.68  1.0
  C  C40  1  0.86  0.58  0.96  1.0
  C  C41  1  0.74  0.54  0.35  1.0
  C  C42  1  0.58  0.32  0.65  1.0
  C  C43  1  0.22  0.89  0.26  1.0
  C  C44  1  0.48  0.09  0.34  1.0
  C  C45  1  0.5  0.3  0.24  1.0
  Cl  Cl46  1  0.59  0.09  0.05  1.0
  Cl  Cl47  1  0.63  0.77  0.38  1.0
  Cl  Cl48  1  0.99  0.42  0.41  1.0
  O  O49  1  0.25  0.23  0.57  1.0
  O  O50  1  0.25  0.93  0.34  1.0
  O  O51  1  0.25  0.7  0.71  1.0
  O  O52  1  0.11  0.87  0.69  1.0
  O  O53  1  0.11  0.31  0.58  1.0
  O  O54  1  0.11  0.65  0.34  1.0

data_AlH12C33(ClO2)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   20.44
_cell_length_c   20.48
_cell_angle_alpha   60.08
_cell_angle_beta   87.05
_cell_angle_gamma   87.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH12C33(ClO2)3
_chemical_formula_sum   'Al1 H12 C33 Cl3 O6'
_cell_volume   1437.24
_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  0.2  0.28  0.87  1.0
  H  H1  1  0.04  0.1  0.59  1.0
  H  H2  1  0.06  0.75  0.19  1.0
  H  H3  1  0.12  0.12  0.09  1.0
  H  H4  1  0.13  0.8  0.16  1.0
  H  H5  1  0.31  0.93  0.45  1.0
  H  H6  1  0.34  0.42  0.04  1.0
  H  H7  1  0.35  0.47  0.54  1.0
  H  H8  1  0.37  0.54  0.36  1.0
  H  H9  1  0.38  0.36  0.58  1.0
  H  H10  1  0.83  0.07  0.37  1.0
  H  H11  1  0.92  0.24  0.6  1.0
  H  H12  1  1.0  0.6  0.46  1.0
  C  C13  1  0.12  0.21  0.1  1.0
  C  C14  1  0.17  0.5  0.84  1.0
  C  C15  1  0.18  0.06  0.83  1.0
  C  C16  1  0.18  0.29  0.93  1.0
  C  C17  1  0.19  0.35  0.09  1.0
  C  C18  1  0.19  0.28  0.42  1.0
  C  C19  1  0.22  0.78  0.69  1.0
  C  C20  1  0.22  0.89  0.26  1.0
  C  C21  1  0.23  0.27  0.22  1.0
  C  C22  1  0.23  0.65  0.38  1.0
  C  C23  1  0.25  0.01  0.99  1.0
  C  C24  1  0.25  0.09  0.11  1.0
  C  C25  1  0.26  0.27  0.64  1.0
  C  C26  1  0.31  0.86  0.67  1.0
  C  C27  1  0.32  0.09  0.52  1.0
  C  C28  1  0.37  0.92  0.95  1.0
  C  C29  1  0.42  0.12  0.64  1.0
  C  C30  1  0.48  0.09  0.34  1.0
  C  C31  1  0.5  0.3  0.24  1.0
  C  C32  1  0.53  0.46  0.86  1.0
  C  C33  1  0.56  0.31  0.14  1.0
  C  C34  1  0.56  0.66  0.15  1.0
  C  C35  1  0.58  0.32  0.65  1.0
  C  C36  1  0.6  0.32  0.52  1.0
  C  C37  1  0.65  0.9  0.14  1.0
  C  C38  1  0.74  0.54  0.35  1.0
  C  C39  1  0.75  0.09  0.85  1.0
  C  C40  1  0.84  0.23  0.5  1.0
  C  C41  1  0.84  0.25  0.11  1.0
  C  C42  1  0.85  0.67  0.95  1.0
  C  C43  1  0.85  0.46  0.63  1.0
  C  C44  1  0.86  0.58  0.96  1.0
  C  C45  1  0.97  0.79  0.68  1.0
  Cl  Cl46  1  0.59  0.09  0.05  1.0
  Cl  Cl47  1  0.63  0.77  0.38  1.0
  Cl  Cl48  1  0.99  0.42  0.41  1.0
  O  O49  1  0.11  0.87  0.69  1.0
  O  O50  1  0.11  0.65  0.34  1.0
  O  O51  1  0.11  0.31  0.58  1.0
  O  O52  1  0.25  0.23  0.57  1.0
  O  O53  1  0.25  0.93  0.34  1.0
  O  O54  1  0.25  0.7  0.71  1.0

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