data_AlH8C4Cl3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   13.85
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   118.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH8C4Cl3O2
_chemical_formula_sum   'Al2 H16 C8 Cl6 O4'
_cell_volume   492.19
_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  0.87  0.39  0.32  1.0
  Al  Al1  1  0.38  0.46  0.27  1.0
  H  H2  1  0.82  0.71  0.75  1.0
  H  H3  1  0.43  0.78  0.84  1.0
  H  H4  1  0.43  0.14  0.84  1.0
  H  H5  1  0.82  0.07  0.75  1.0
  H  H6  1  0.31  0.17  0.9  1.0
  H  H7  1  0.95  0.24  0.69  1.0
  H  H8  1  0.95  0.68  0.69  1.0
  H  H9  1  0.31  0.61  0.9  1.0
  H  H10  1  0.87  0.74  0.54  1.0
  H  H11  1  0.39  0.81  0.06  1.0
  H  H12  1  0.39  0.11  0.06  1.0
  H  H13  1  0.87  0.04  0.54  1.0
  H  H14  1  0.74  0.22  0.4  1.0
  H  H15  1  0.52  0.29  0.19  1.0
  H  H16  1  0.52  0.64  0.19  1.0
  H  H17  1  0.74  0.56  0.4  1.0
  C  C18  1  0.26  0.63  0.81  1.0
  C  C19  1  0.99  0.7  0.79  1.0
  C  C20  1  0.99  0.22  0.79  1.0
  C  C21  1  0.26  0.15  0.81  1.0
  C  C22  1  0.21  0.66  0.19  1.0
  C  C23  1  0.04  0.73  0.41  1.0
  C  C24  1  0.04  0.19  0.41  1.0
  C  C25  1  0.21  0.12  0.19  1.0
  Cl  Cl26  1  0.84  0.39  0.4  1.0
  Cl  Cl27  1  0.41  0.46  0.19  1.0
  Cl  Cl28  1  0.73  0.39  0.27  1.0
  Cl  Cl29  1  0.53  0.46  0.32  1.0
  Cl  Cl30  1  0.05  0.39  0.6  1.0
  Cl  Cl31  1  0.21  0.46  1.0  1.0
  O  O32  1  0.92  0.32  0.36  1.0
  O  O33  1  0.34  0.39  0.24  1.0
  O  O34  1  0.34  0.54  0.24  1.0
  O  O35  1  0.92  0.46  0.36  1.0

data_AlH8C4Cl3O2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.35
_cell_length_b   6.39
_cell_length_c   13.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.96
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlH8C4Cl3O2
_chemical_formula_sum   'Al2 H16 C8 Cl6 O4'
_cell_volume   492.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.25  0.52  0.46  1.0
  H  H1  2  0.11  0.61  0.29  1.0
  H  H2  2  0.11  0.61  0.64  1.0
  H  H3  2  0.2  0.95  0.78  1.0
  H  H4  2  0.2  0.95  0.14  1.0
  H  H5  2  0.24  0.74  0.81  1.0
  H  H6  2  0.24  0.74  0.11  1.0
  H  H7  2  0.32  0.89  0.32  1.0
  H  H8  2  0.32  0.89  0.76  1.0
  C  C9  2  0.37  0.99  0.78  1.0
  C  C10  2  0.37  0.99  0.3  1.0
  C  C11  2  0.42  0.61  0.81  1.0
  C  C12  2  0.42  0.61  0.27  1.0
  Cl  Cl13  2  0.1  0.47  0.46  1.0
  Cl  Cl14  2  0.22  0.6  0.46  1.0
  Cl  Cl15  2  0.42  0.8  0.46  1.0
  O  O16  2  0.29  0.56  0.39  1.0
  O  O17  2  0.29  0.56  0.54  1.0

Al Al H H H H H H H H H H H H H H H H C C C C C C C C Cl Cl Cl Cl Cl Cl O O O O
Al Al H H H H H H H H H H H H H H H H C C C C C C C C Cl Cl Cl Cl Cl Cl O O O O 0 26 o o o 0 28 o o o 0 30 + o o 0 32 o o o 0 35 o o o 1 27 o o o 1 29 o o o 1 31 o o - 1 33 o o o 1 34 o o o 2 19 o o o 2 8 o o o 3 11 o o + 4 21 o o o 4 6 o o o 5 13 o o o 6 21 o o o 6 12 o o + 7 20 o o o 7 14 o o o 8 19 o o o 8 10 o o o 9 18 o o o 9 16 o o + 10 23 + o o 12 25 o o o 14 15 o o o 14 24 + o o 14 32 o o o 15 33 o o o 15 28 o o o 16 34 o o o 16 22 o o o 16 17 o o o 17 29 o o o 17 35 o o o 22 34 o o o 24 32 - o o 26 28 o o o 26 30 + o o 26 32 o o o 26 35 o o o 27 29 o o o 27 31 o o - 27 33 o o o 27 34 o o o 