data_[H14N4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8208]
_cell_length_b [7.0717]
_cell_length_c [3.8103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H7(NF)2]
_chemical_formula_sum '[H14 N4 F4]'
_cell_volume [149.8083]
_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  8  0.1560  0.1274  0.7428  1
  H  H1  4  0.1726  0.5000  0.8584  1
  H  H2  2  0.0000  0.0000  0.0000  1
  N  N3  4  0.1862  0.0000  0.8982  1
  F  F4  4  0.0000  0.2975  0.5000  1
]