data_[K4Na6Li2I12]
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
  Li  0.9800  1.4500  0.9000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.6094]
_cell_length_b [4.6857]
_cell_length_c [9.5543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Na3LiI6]
_chemical_formula_sum '[K4 Na6 Li2 I12]'
_cell_volume [898.3397]
_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  0.1659  0.0000  0.3309  1.0
  Na  Na1  4  0.1658  0.0000  0.8392  1.0
  Na  Na2  2  0.0000  0.5000  0.5000  1.0
  Li  Li3  2  0.0000  0.5000  0.0000  1.0
  I  I4  4  0.0045  0.0000  0.7712  1.0
  I  I5  4  0.1592  0.5000  0.5988  1.0
  I  I6  4  0.1624  0.5000  0.0647  1.0
]