data_[K6Na4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3425]
_cell_length_b [4.3425]
_cell_length_c [21.4448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [K3Na2F6]
_chemical_formula_sum '[K6 Na4 F12]'
_cell_volume [404.3997]
_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  4  0.0000  0.0000  0.1771  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Na  Na2  4  0.0000  0.0000  0.4005  1.0
  F  F3  8  0.0000  0.5000  0.0820  1.0
  F  F4  4  0.0000  0.0000  0.2972  1.0
]