data_[N4O12F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1925]
_cell_length_b [5.0761]
_cell_length_c [12.5811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NO3F]
_chemical_formula_sum '[N4 O12 F4]'
_cell_volume [326.9522]
_cell_formula_units_Z [4]
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
[
  N  N0  4  0.2444  0.1412  0.6413  1
  O  O1  4  0.2083  0.5929  0.1180  1
  O  O2  4  0.2124  0.2473  0.7261  1
  O  O3  4  0.3207  0.2066  0.0676  1
  F  F4  4  0.3046  0.7082  0.3843  1
]