data_[Na4H4F4]
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 [C2/m]
_cell_length_a [4.5835]
_cell_length_b [4.5883]
_cell_length_c [7.4365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaHF]
_chemical_formula_sum '[Na4 H4 F4]'
_cell_volume [156.3865]
_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  0.2493  0.5000  0.8418  1.0
  H  H1  4  0.0545  0.0000  0.5381  1.0
  F  F2  4  0.2495  0.5000  0.1589  1.0
]