data_[K12Rb20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
]
_symmetry_space_group_name_H-M [F222]
_cell_length_a [9.6246]
_cell_length_b [10.4182]
_cell_length_c [27.4976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [22]
_chemical_formula_structural [K3Rb5]
_chemical_formula_sum '[K12 Rb20]'
_cell_volume [2757.2082]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  8  0.0000  0.0000  0.1283  1.0
  K  K1  8  0.0000  0.0000  0.3711  1.0
  Rb  Rb2  8  0.2500  0.2500  0.0001  1.0
  K  K3  4  0.2500  0.2500  0.2500  1.0
  Rb  Rb4  4  0.2500  0.2500  0.7500  1.0
]