data_[K16S4O4]
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 [C2/m]
_cell_length_a [14.6430]
_cell_length_b [7.2363]
_cell_length_c [7.1201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K4SO]
_chemical_formula_sum '[K16 S4 O4]'
_cell_volume [715.9555]
_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
[
  K  K0  8  0.1136  0.2942  0.5185  1.0
  K  K1  4  0.0000  0.2456  0.0000  1.0
  K  K2  4  0.1899  0.5000  0.0261  1.0
  S  S3  4  0.1832  0.0000  0.2498  1.0
  O  O4  4  0.0257  0.5000  0.7523  1.0
]