data_[K2Na4V2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P2_1/c]
_cell_length_a [5.8423]
_cell_length_b [6.1252]
_cell_length_c [10.2170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KNa2VF6]
_chemical_formula_sum '[K2 Na4 V2 F12]'
_cell_volume [302.8880]
_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
[
  K  K0  2  0.5000  0.0000  0.0000  1.0
  Na  Na1  4  0.2725  0.5261  0.7822  1.0
  V  V2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.0813  0.6294  0.2021  1.0
  F  F4  4  0.2396  0.2442  0.1133  1.0
  F  F5  4  0.3267  0.6408  0.0264  1.0
]