data_[Na4Se4O12F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Se  2.5500  1.1500  1.0133
  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 [10.6166]
_cell_length_b [7.9529]
_cell_length_c [5.0085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1458]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSeO3F]
_chemical_formula_sum '[Na4 Se4 O12 F4]'
_cell_volume [404.0892]
_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
[
  Na  Na0  4  0.0000  0.2374  0.0000  1.0
  Se  Se1  4  0.2046  0.5000  0.6817  1.0
  O  O2  8  0.1375  0.3232  0.7351  1.0
  O  O3  4  0.1329  0.0000  0.2239  1.0
  F  F4  4  0.1605  0.5000  0.3009  1.0
]