data_[Na2Se2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6205]
_cell_length_b [8.4039]
_cell_length_c [5.0797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSeF6]
_chemical_formula_sum '[Na2 Se2 F12]'
_cell_volume [235.1367]
_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  2  0.0000  0.0000  0.0000  1.0
  Se  Se1  2  0.0000  0.5000  0.5000  1.0
  F  F2  8  0.1653  0.3469  0.7307  1.0
  F  F3  4  0.2493  0.5000  0.3105  1.0
]