data_[K2Rb16O4]
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 [C2/m]
_cell_length_a [10.3784]
_cell_length_b [13.7093]
_cell_length_c [8.9384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6948]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRb8O2]
_chemical_formula_sum '[K2 Rb16 O4]'
_cell_volume [1271.6617]
_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
[
  Rb  Rb0  8  0.1075  0.2042  0.7394  1.0
  Rb  Rb1  4  0.1457  0.5000  0.2050  1.0
  Rb  Rb2  4  0.1515  0.0000  0.4077  1.0
  K  K3  2  0.0000  0.0000  0.0000  1.0
  O  O4  4  0.0998  0.0000  0.7214  1.0
]