data_[K8Na4F16]
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 [Pbca]
_cell_length_a [6.3772]
_cell_length_b [12.8249]
_cell_length_c [6.3784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [K2NaF4]
_chemical_formula_sum '[K8 Na4 F16]'
_cell_volume [521.6716]
_cell_formula_units_Z [4]
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  8  0.0008  0.6364  0.5185  1
  Na  Na1  4  0.0000  0.0000  0.5000  1
  F  F2  8  0.0872  0.1699  0.5745  1
  F  F3  8  0.2483  0.5115  0.2495  1
]