data_[Cs2K6]
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_1/m]
_cell_length_a [9.6294]
_cell_length_b [7.7802]
_cell_length_c [9.8410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsK3]
_chemical_formula_sum '[Cs2 K6]'
_cell_volume [654.7924]
_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  2  0.3220  0.2500  0.6256  1
  K  K1  2  0.1413  0.7500  0.2904  1
  K  K2  2  0.1746  0.7500  0.8450  1
  K  K3  2  0.3357  0.2500  0.1381  1
]