data_[Na4H2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1032]
_cell_length_b [4.1132]
_cell_length_c [6.8068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na2HF4]
_chemical_formula_sum '[Na4 H2 F8]'
_cell_volume [169.4251]
_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  2  0.2433  0.7500  0.4671  1.0
  Na  Na1  2  0.2838  0.7500  0.9632  1.0
  H  H2  2  0.1120  0.2500  0.1774  1.0
  F  F3  4  0.4810  0.0032  0.7309  1.0
  F  F4  2  0.0556  0.2500  0.3398  1.0
  F  F5  2  0.1467  0.2500  0.0222  1.0
]