data_[H36O12F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [10.7886]
_cell_length_b [9.7917]
_cell_length_c [6.9655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.3574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [H9O3F]
_chemical_formula_sum '[H36 O12 F4]'
_cell_volume [568.9408]
_cell_formula_units_Z [4]
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  0.0830  0.1622  0.2279  1
  H  H1  4  0.1482  0.2907  0.5019  1
  H  H2  4  0.1566  0.0951  0.0810  1
  H  H3  4  0.1578  0.0031  0.7861  1
  H  H4  4  0.1948  0.4103  0.1428  1
  H  H5  4  0.2813  0.2278  0.8892  1
  H  H6  4  0.2835  0.3970  0.2266  1
  H  H7  4  0.3264  0.3844  0.8918  1
  H  H8  4  0.4630  0.2489  0.8224  1
  O  O9  4  0.0546  0.2723  0.3242  1
  O  O10  4  0.0977  0.0737  0.1516  1
  O  O11  4  0.3085  0.2966  0.8122  1
  F  F12  4  0.2268  0.1091  0.9646  1
]