data_[Na4O4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4571]
_cell_length_b [7.1402]
_cell_length_c [7.6845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaOF4]
_chemical_formula_sum '[Na4 O4 F16]'
_cell_volume [420.1938]
_cell_formula_units_Z [4]
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  0.0000  0.0673  0.7500  1
  O  O1  4  0.0000  0.4319  0.2500  1
  F  F2  8  0.0091  0.1391  0.0351  1
  F  F3  8  0.1489  0.4454  0.8137  1
]