data_[H6F6]
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 [P2_12_12]
_cell_length_a [3.1503]
_cell_length_b [6.9036]
_cell_length_c [18.1518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [18]
_chemical_formula_structural [HF]
_chemical_formula_sum '[H6 F6]'
_cell_volume [394.7781]
_cell_formula_units_Z [6]
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  0.2132  0.2957  0.0735  1
  H  H1  2  0.0000  0.5000  0.9837  1
  F  F2  4  0.1139  0.6872  0.9132  1
  F  F3  2  0.0000  0.5000  0.0374  1
]