data_[Cs2K13]
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 [P-1]
_cell_length_a [8.4550]
_cell_length_b [12.0096]
_cell_length_c [12.6724]
_cell_angle_alpha [69.4819]
_cell_angle_beta [79.8369]
_cell_angle_gamma [82.9561]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2K13]
_chemical_formula_sum '[Cs2 K13]'
_cell_volume [1183.6476]
_cell_formula_units_Z [1]
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  2  0.1294  0.7994  0.4642  1.0
  K  K1  2  0.0824  0.3931  0.7507  1.0
  K  K2  2  0.1950  0.2164  0.1829  1.0
  K  K3  2  0.2735  0.6040  0.9324  1.0
  K  K4  2  0.3568  0.9950  0.6783  1.0
  K  K5  2  0.3883  0.4089  0.3934  1.0
  K  K6  2  0.4654  0.8031  0.1221  1.0
  K  K7  1  0.0000  0.0000  0.0000  1.0
]