data_[Na2H1F4]
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/m]
_cell_length_a [4.7625]
_cell_length_b [3.5918]
_cell_length_c [6.0265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2HF4]
_chemical_formula_sum '[Na2 H1 F4]'
_cell_volume [96.6654]
_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  1  0.0000  0.0000  0.0000  1.0
  Na  Na1  1  0.5000  0.5000  0.5000  1.0
  H  H2  1  0.5000  0.5000  0.0000  1.0
  F  F3  2  0.1546  0.0000  0.4229  1.0
  F  F4  2  0.3294  0.5000  0.0945  1.0
]