data_[H11O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3872]
_cell_length_b [4.4889]
_cell_length_c [11.4110]
_cell_angle_alpha [85.8293]
_cell_angle_beta [86.4811]
_cell_angle_gamma [66.8468]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [H11O8]
_chemical_formula_sum '[H11 O8]'
_cell_volume [205.9440]
_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  0.1302  0.4473  0.0139  1.0
  H  H1  1  0.1634  0.4303  0.4984  1.0
  H  H2  1  0.3252  0.3461  0.6986  1.0
  H  H3  1  0.3342  0.3315  0.2042  1.0
  H  H4  1  0.4235  0.5085  0.8028  1.0
  H  H5  1  0.4594  0.1203  0.0118  1.0
  H  H6  1  0.4791  0.4841  0.2938  1.0
  H  H7  1  0.4858  0.1101  0.5018  1.0
  H  H8  1  0.5688  0.5542  0.0037  1.0
  H  H9  1  0.5767  0.5308  0.4876  1.0
  H  H10  1  0.9106  0.5800  0.8185  1.0
  O  O11  1  0.2687  0.4108  0.7799  1.0
  O  O12  1  0.3458  0.3520  0.2892  1.0
  O  O13  1  0.3565  0.3382  0.0449  1.0
  O  O14  1  0.3797  0.3247  0.5360  1.0
  O  O15  1  0.6656  0.6966  0.8463  1.0
  O  O16  1  0.6964  0.6938  0.9743  1.0
  O  O17  1  0.7090  0.6758  0.4640  1.0
  O  O18  1  0.7204  0.7077  0.3435  1.0
]