data_[Na18F12]
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 [C2/m]
_cell_length_a [14.8605]
_cell_length_b [3.4021]
_cell_length_c [10.4975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3F2]
_chemical_formula_sum '[Na18 F12]'
_cell_volume [511.5237]
_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  4  0.0024  0.5000  0.3164  1.0
  Na  Na1  4  0.1637  0.0000  0.9013  1.0
  Na  Na2  4  0.1664  0.0000  0.2182  1.0
  Na  Na3  4  0.1672  0.0000  0.5417  1.0
  Na  Na4  2  0.0000  0.5000  0.0000  1.0
  F  F5  4  0.0042  0.0000  0.1562  1.0
  F  F6  4  0.1677  0.5000  0.3794  1.0
  F  F7  4  0.1683  0.5000  0.0556  1.0
]