data_[Na1O2F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.1898]
_cell_length_b [3.1955]
_cell_length_c [6.5828]
_cell_angle_alpha [92.6017]
_cell_angle_beta [95.9740]
_cell_angle_gamma [90.0612]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaO2F]
_chemical_formula_sum '[Na1 O2 F1]'
_cell_volume [66.6642]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.1926  0.4992  0.1126  1
  O  O1  1  0.0739  0.7151  0.6958  1
  O  O2  1  0.9149  0.5681  0.5289  1
  F  F3  1  0.6922  0.9998  0.1128  1
]