data_[Cs2K34Rb22]
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
  Rb  0.8200  2.3500  1.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.7468]
_cell_length_b [23.6463]
_cell_length_c [14.5427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsK17Rb11]
_chemical_formula_sum '[Cs2 K34 Rb22]'
_cell_volume [4714.9660]
_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  0.1204  0.5000  0.8153  1
  K  K1  4  0.0196  0.2961  0.3160  1
  K  K2  4  0.0453  0.3599  0.0030  1
  Rb  Rb3  4  0.0973  0.0969  0.3800  1
  Rb  Rb4  4  0.1902  0.1897  0.1927  1
  K  K5  4  0.2043  0.2042  0.6840  1
  Rb  Rb6  4  0.2176  0.4023  0.6157  1
  Rb  Rb7  4  0.2867  0.0934  1.0000  1
  K  K8  4  0.3204  0.3167  0.0021  1
  K  K9  4  0.3424  0.3414  0.4071  1
  K  K10  4  0.4313  0.1606  0.5881  1
  Rb  Rb11  4  0.4982  0.3101  0.8082  1
  K  K12  2  0.0027  0.0000  0.0014  1
  K  K13  2  0.0899  0.5000  0.2738  1
  K  K14  2  0.3095  0.0000  0.7214  1
  Rb  Rb15  2  0.3101  0.5000  0.1956  1
  K  K16  2  0.3628  0.0000  0.3624  1
  K  K17  2  0.4983  0.5000  0.6366  1
]