data_[K6Rb12O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.6093]
_cell_length_b [11.3795]
_cell_length_c [16.4236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3Rb6O]
_chemical_formula_sum '[K6 Rb12 O2]'
_cell_volume [1412.5222]
_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
[
  K  K0  4  0.1913  0.0037  0.6912  1.0
  Rb  Rb1  4  0.2056  0.1752  0.9803  1.0
  Rb  Rb2  4  0.2085  0.0180  0.1968  1.0
  Rb  Rb3  4  0.2308  0.6717  0.4992  1.0
  K  K4  2  0.5000  0.0000  0.5000  1.0
  O  O5  2  0.0000  0.0000  0.0000  1.0
]