data_[K9S6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7652]
_cell_length_b [5.7652]
_cell_length_c [21.4164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3(SO4)2]
_chemical_formula_sum '[K9 S6 O24]'
_cell_volume [616.4569]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2068  1.0
  K  K1  3  0.0000  0.0000  0.0000  1.0
  S  S2  6  0.0000  0.0000  0.4080  1.0
  O  O3  18  0.0507  0.5253  0.2362  1.0
  O  O4  6  0.0000  0.0000  0.3383  1.0
]