data_[Cs8K6Li2I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0691]
_cell_length_b [10.3498]
_cell_length_c [10.4819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs4K3LiI8]
_chemical_formula_sum '[Cs8 K6 Li2 I16]'
_cell_volume [1609.3168]
_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  4  0.2500  0.2500  0.0000  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  Cs  Cs2  2  0.0000  0.5000  0.0000  1.0
  K  K3  4  0.2500  0.2500  0.5000  1.0
  K  K4  2  0.0000  0.5000  0.5000  1.0
  Li  Li5  2  0.0000  0.0000  0.5000  1.0
  I  I6  8  0.0073  0.2300  0.2921  1.0
  I  I7  4  0.2369  0.0000  0.7209  1.0
  I  I8  4  0.2413  0.5000  0.7241  1.0
]