data_[Na6F6]
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 [P6_2]
_cell_length_a [16.6127]
_cell_length_b [16.6127]
_cell_length_c [6.6955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [171]
_chemical_formula_structural [NaF]
_chemical_formula_sum '[Na6 F6]'
_cell_volume [1600.2688]
_cell_formula_units_Z [6]
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  0.0449  0.1064  0.3848  1
  F  F1  6  0.0100  0.9084  0.0513  1
]