data_[K1Na3F6]
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 [P-1]
_cell_length_a [4.8104]
_cell_length_b [6.0435]
_cell_length_c [6.1952]
_cell_angle_alpha [100.4770]
_cell_angle_beta [108.6861]
_cell_angle_gamma [106.9101]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KNa3F6]
_chemical_formula_sum '[K1 Na3 F6]'
_cell_volume [155.5354]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Na  Na1  2  0.4183  0.1762  0.6845  1.0
  Na  Na2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1146  0.8718  0.3344  1.0
  F  F4  2  0.3868  0.4066  0.2477  1.0
  F  F5  2  0.4952  0.8572  0.9172  1.0
]