data_[Na6O4F4]
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 [C2/m]
_cell_length_a [4.4901]
_cell_length_b [13.3776]
_cell_length_c [3.7756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3(OF)2]
_chemical_formula_sum '[Na6 O4 F4]'
_cell_volume [211.9221]
_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
[
  Na  Na0  4  0.0000  0.3335  0.0000  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  O  O2  4  0.0792  0.5000  0.3758  1
  F  F3  4  0.0000  0.1665  0.0000  1
]