data_[K36Na18Li3]
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
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.2213]
_cell_length_b [14.2213]
_cell_length_c [18.7795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [K12Na6Li]
_chemical_formula_sum '[K36 Na18 Li3]'
_cell_volume [3289.1993]
_cell_formula_units_Z [3]
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  18  0.0320  0.8439  0.8177  1
  K  K1  18  0.0553  0.2143  0.4095  1
  Na  Na2  18  0.0565  0.6009  0.6988  1
  Li  Li3  3  0.0000  0.0000  0.0000  1
]