data_[Na1V1H1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8464]
_cell_length_b [5.0475]
_cell_length_c [5.1731]
_cell_angle_alpha [89.9353]
_cell_angle_beta [66.4101]
_cell_angle_gamma [87.4750]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaVHF6]
_chemical_formula_sum '[Na1 V1 H1 F6]'
_cell_volume [115.8391]
_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  0.9854  0.0340  0.9753  1.0
  V  V1  1  0.3252  0.5446  0.3432  1.0
  H  H2  1  0.7928  0.3096  0.5207  1.0
  F  F3  1  0.0341  0.7735  0.3194  1.0
  F  F4  1  0.3088  0.7078  0.6599  1.0
  F  F5  1  0.3254  0.2983  0.0856  1.0
  F  F6  1  0.6252  0.7259  0.0812  1.0
  F  F7  1  0.6334  0.2832  0.4019  1.0
  F  F8  1  0.9694  0.3230  0.6129  1.0
]