data_[Cs12K2O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2268]
_cell_length_b [4.5920]
_cell_length_c [16.9862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6KO2]
_chemical_formula_sum '[Cs12 K2 O4]'
_cell_volume [1312.2793]
_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
[
  Cs  Cs0  4  0.0068  0.0000  0.7998  1
  Cs  Cs1  4  0.1780  0.5000  0.1205  1
  Cs  Cs2  4  0.2291  0.0000  0.3481  1
  K  K3  2  0.0000  0.0000  0.5000  1
  O  O4  4  0.1430  0.0000  0.2025  1
]