data_[Na9F5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [8.3684]
_cell_length_b [8.3684]
_cell_length_c [18.0707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Na9F5]
_chemical_formula_sum '[Na9 F5]'
_cell_volume [1095.9388]
_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  6  0.2092  0.7908  0.5376  1
  Na  Na1  3  0.0000  0.5000  0.3928  1
  F  F2  3  0.0000  0.5000  0.5627  1
  F  F3  2  0.3333  0.6667  0.4540  1
]