data_[Cs3K8Rb1]
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 [P3m1]
_cell_length_a [8.8419]
_cell_length_b [8.8419]
_cell_length_c [14.9358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Cs3K8Rb]
_chemical_formula_sum '[Cs3 K8 Rb1]'
_cell_volume [1011.2402]
_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  1  0.0000  0.0000  0.0667  1.0
  Cs  Cs1  1  0.6667  0.3333  0.5604  1.0
  Cs  Cs2  1  0.6667  0.3333  0.9365  1.0
  K  K3  3  0.1636  0.8364  0.7480  1.0
  K  K4  3  0.5025  0.0051  0.2519  1.0
  Rb  Rb5  1  0.0000  0.0000  0.4376  1.0
  K  K6  1  0.3333  0.6667  0.4995  1.0
  K  K7  1  0.3333  0.6667  0.9996  1.0
]