data_[K6Na6]
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
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.1304]
_cell_length_b [15.5849]
_cell_length_c [8.3611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [KNa]
_chemical_formula_sum '[K6 Na6]'
_cell_volume [668.5305]
_cell_formula_units_Z [6]
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  0.1930  0.8154  1
  K  K1  2  0.0000  0.5000  0.5669  1
  Na  Na2  4  0.0000  0.1149  0.3599  1
  Na  Na3  2  0.0000  0.5000  0.0805  1
]