data_[H18O9F3]
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 [R3m]
_cell_length_a [9.5945]
_cell_length_b [9.5945]
_cell_length_c [2.8875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [H6O3F]
_chemical_formula_sum '[H18 O9 F3]'
_cell_volume [230.1939]
_cell_formula_units_Z [3]
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  9  0.0013  0.5007  0.2398  1
  H  H1  9  0.1744  0.0872  0.2215  1
  O  O2  9  0.1837  0.3675  0.8994  1
  F  F3  3  0.0000  0.0000  0.2568  1
]