data_[Na6V2F16]
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 [8.1270]
_cell_length_b [11.2686]
_cell_length_c [5.4264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3VF8]
_chemical_formula_sum '[Na6 V2 F16]'
_cell_volume [414.7893]
_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  4  0.2500  0.2500  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0000  0.1620  0.0000  1.0
  F  F4  4  0.0000  0.3104  0.5000  1.0
  F  F5  4  0.1690  0.0000  0.4027  1.0
  F  F6  4  0.2119  0.0000  0.9723  1.0
]