data_[Cs6K16Li2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [14.9221]
_cell_length_b [14.9221]
_cell_length_c [9.7911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Cs3K8Li]
_chemical_formula_sum '[Cs6 K16 Li2]'
_cell_volume [1888.0981]
_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
[
  Cs  Cs0  6  0.1594  0.3189  0.2711  1
  K  K1  6  0.0238  0.5119  0.4963  1
  K  K2  6  0.2170  0.4340  0.7710  1
  K  K3  2  0.0000  0.0000  0.0209  1
  K  K4  2  0.3333  0.6667  0.1272  1
  Li  Li5  2  0.3333  0.6667  0.5098  1
]