data_[Na6Se2F14]
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 [Cm]
_cell_length_a [7.9862]
_cell_length_b [7.6141]
_cell_length_c [6.1136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na3SeF7]
_chemical_formula_sum '[Na6 Se2 F14]'
_cell_volume [312.5503]
_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  0.4862  0.2607  0.4642  1
  Na  Na1  2  0.4947  0.0000  0.9401  1
  Se  Se2  2  0.0194  0.0000  0.9984  1
  F  F3  4  0.1223  0.2423  0.2020  1
  F  F4  4  0.3493  0.3397  0.7511  1
  F  F5  2  0.1529  0.0000  0.7930  1
  F  F6  2  0.3576  0.5000  0.1367  1
  F  F7  2  0.4348  0.0000  0.5471  1
]