data_[Cs1K8Rb3]
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 [8.7475]
_cell_length_b [8.7475]
_cell_length_c [14.7177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CsK8Rb3]
_chemical_formula_sum '[Cs1 K8 Rb3]'
_cell_volume [975.3103]
_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  0.4366  1.0
  K  K1  3  0.1636  0.3272  0.7524  1.0
  K  K2  3  0.5038  0.0076  0.2476  1.0
  Rb  Rb3  1  0.0000  0.0000  0.0607  1.0
  K  K4  1  0.3333  0.6667  0.0004  1.0
  K  K5  1  0.3333  0.6667  0.5004  1.0
  Rb  Rb6  1  0.6667  0.3333  0.5657  1.0
  Rb  Rb7  1  0.6667  0.3333  0.9363  1.0
]