data_[H2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.2140]
_cell_length_b [3.3206]
_cell_length_c [4.0868]
_cell_angle_alpha [89.4046]
_cell_angle_beta [80.2149]
_cell_angle_gamma [62.6376]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HF]
_chemical_formula_sum '[H2 F2]'
_cell_volume [38.0578]
_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  0.8569  0.2689  0.5768  1
  H  H1  1  0.8622  0.2065  0.0765  1
  F  F2  1  0.8463  0.4289  0.7900  1
  F  F3  1  0.8717  0.0467  0.2897  1
]