data_H11O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.49
_cell_length_c   11.42
_cell_angle_alpha   85.81
_cell_angle_beta   86.44
_cell_angle_gamma   66.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H11O8
_chemical_formula_sum   'H11 O8'
_cell_volume   206.44
_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
  H  H0  1  0.16  0.18  0.35  1.0
  H  H1  1  0.82  0.49  0.55  1.0
  H  H2  1  0.48  0.29  0.04  1.0
  H  H3  1  0.6  0.89  0.32  1.0
  H  H4  1  0.83  0.08  0.67  1.0
  H  H5  1  0.37  0.85  0.16  1.0
  H  H6  1  0.53  0.85  0.95  1.0
  H  H7  1  0.2  0.49  0.33  1.0
  H  H8  1  0.68  0.76  0.71  1.0
  H  H9  1  0.24  0.5  0.13  1.0
  H  H10  1  0.33  0.59  0.14  1.0
  O  O11  1  0.66  0.13  0.91  1.0
  O  O12  1  0.75  0.39  0.64  1.0
  O  O13  1  0.63  0.07  0.28  1.0
  O  O14  1  0.97  0.45  0.09  1.0
  O  O15  1  0.46  0.17  0.88  1.0
  O  O16  1  0.34  0.63  0.29  1.0
  O  O17  1  0.19  0.42  0.51  1.0
  O  O18  1  0.62  0.66  0.1  1.0

data_H11O8
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.49
_cell_length_c   11.42
_cell_angle_alpha   85.81
_cell_angle_beta   86.44
_cell_angle_gamma   66.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H11O8
_chemical_formula_sum   'H11 O8'
_cell_volume   206.44
_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
  H  H0  1  0.16  0.18  0.35  1.0
  H  H1  1  0.2  0.49  0.33  1.0
  H  H2  1  0.24  0.5  0.13  1.0
  H  H3  1  0.33  0.59  0.14  1.0
  H  H4  1  0.37  0.85  0.16  1.0
  H  H5  1  0.48  0.29  0.04  1.0
  H  H6  1  0.53  0.85  0.95  1.0
  H  H7  1  0.6  0.89  0.32  1.0
  H  H8  1  0.68  0.76  0.71  1.0
  H  H9  1  0.82  0.49  0.55  1.0
  H  H10  1  0.83  0.08  0.67  1.0
  O  O11  1  0.19  0.42  0.51  1.0
  O  O12  1  0.34  0.63  0.29  1.0
  O  O13  1  0.46  0.17  0.88  1.0
  O  O14  1  0.62  0.66  0.1  1.0
  O  O15  1  0.63  0.07  0.28  1.0
  O  O16  1  0.66  0.13  0.91  1.0
  O  O17  1  0.75  0.39  0.64  1.0
  O  O18  1  0.97  0.45  0.09  1.0

H H H H H H H H H H H O O O O O O O O
H H H H H H H H H H H O O O O O O O O 0 7 o o o 1 12 o o o 1 17 + o o 2 10 o o o 2 9 o o o 2 11 o o - 3 13 o + o 4 12 o o o 4 8 o - o 5 10 o o o 5 18 o o o 6 15 o + o 6 11 o + o 7 16 o o o 8 12 o o o 9 10 o o o 9 14 - o o 10 18 o o o 11 15 o o o 14 18 o o o 