data_[Na2V4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2696]
_cell_length_b [6.1842]
_cell_length_c [5.2089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaV2F8]
_chemical_formula_sum '[Na2 V4 F16]'
_cell_volume [325.7543]
_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  0.0000  0.0000  0.0000  1
  V  V1  4  0.2374  0.5000  0.4907  1
  F  F2  8  0.1509  0.2297  0.3149  1
  F  F3  4  0.1207  0.5000  0.7124  1
  F  F4  4  0.1565  0.0000  0.7605  1
]