data_[Cs6K16]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4314]
_cell_length_b [7.0310]
_cell_length_c [17.2787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3K8]
_chemical_formula_sum '[Cs6 K16]'
_cell_volume [1813.7493]
_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  0.0909  0.0000  0.6415  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  K  K2  4  0.0422  0.5000  0.8182  1
  K  K3  4  0.1409  0.5000  0.4532  1
  K  K4  4  0.1864  0.0000  0.2727  1
  K  K5  4  0.2246  0.5000  0.0880  1
]