data_[Cs6K26]
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 [Amm2]
_cell_length_a [10.8651]
_cell_length_b [15.4101]
_cell_length_c [15.4465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cs3K13]
_chemical_formula_sum '[Cs6 K26]'
_cell_volume [2586.2451]
_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  0.2545  0.0000  0.0057  1.0
  Cs  Cs1  2  0.0000  0.0000  0.7382  1.0
  K  K2  8  0.2574  0.2434  0.2504  1.0
  K  K3  4  0.0000  0.2369  0.4987  1.0
  K  K4  4  0.2568  0.0000  0.4928  1.0
  K  K5  4  0.5000  0.2362  0.5009  1.0
  K  K6  2  0.0000  0.0000  0.2646  1.0
  K  K7  2  0.5000  0.0000  0.2633  1.0
  K  K8  2  0.5000  0.0000  0.7362  1.0
]