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 [4.6829]
_cell_length_b [17.7405]
_cell_length_c [8.0142]
_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 [665.7955]
_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  0.2009  0.1710  1.0
  K  K1  2  0.0000  0.5000  0.4479  1.0
  Na  Na2  4  0.0000  0.1155  0.6415  1.0
  Na  Na3  2  0.0000  0.5000  0.9290  1.0
]