data_[Cs8K2]
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 [P2/c]
_cell_length_a [9.1563]
_cell_length_b [15.7133]
_cell_length_c [8.2678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Cs4K]
_chemical_formula_sum '[Cs8 K2]'
_cell_volume [1137.1462]
_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  0.2465  0.3979  0.9758  1.0
  Cs  Cs1  4  0.3180  0.1599  0.4295  1.0
  K  K2  2  0.0000  0.1001  0.7500  1.0
]