data_[H2O2F4]
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 [P1]
_cell_length_a [4.1209]
_cell_length_b [4.7777]
_cell_length_c [6.0291]
_cell_angle_alpha [100.8881]
_cell_angle_beta [100.5655]
_cell_angle_gamma [114.9146]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HOF2]
_chemical_formula_sum '[H2 O2 F4]'
_cell_volume [101.0065]
_cell_formula_units_Z [2]
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  0.0006  0.0678  0.1723  1.0
  H  H1  1  0.5213  0.1140  0.1724  1.0
  O  O2  1  0.1212  0.3850  0.7001  1.0
  O  O3  1  0.3494  0.6379  0.6869  1.0
  F  F4  1  0.1592  0.7545  0.4885  1.0
  F  F5  1  0.3592  0.2237  0.1595  1.0
  F  F6  1  0.7389  0.9588  0.1877  1.0
  F  F7  1  0.8896  0.4468  0.8797  1.0
]