data_[H16O8]
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 [Cc]
_cell_length_a [4.3731]
_cell_length_b [7.5715]
_cell_length_c [7.1397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [H2O]
_chemical_formula_sum '[H16 O8]'
_cell_volume [236.4010]
_cell_formula_units_Z [8]
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  4  0.1501  0.2750  0.5452  1.0
  H  H1  4  0.1508  0.2680  0.0141  1.0
  H  H2  4  0.4657  0.0402  0.0467  1.0
  H  H3  4  0.4665  0.1688  0.3292  1.0
  O  O4  4  0.4610  0.1689  0.4701  1.0
  O  O5  4  0.4614  0.1652  0.0946  1.0
]