data_[K16S4O2]
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 [17.2719]
_cell_length_b [5.2173]
_cell_length_c [9.1112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8458]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K8S2O]
_chemical_formula_sum '[K16 S4 O2]'
_cell_volume [811.2562]
_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  0.0559  0.5000  0.7382  1.0
  K  K1  4  0.0667  0.0000  0.1457  1.0
  K  K2  4  0.1850  0.0000  0.5590  1.0
  K  K3  4  0.1857  0.5000  0.0697  1.0
  S  S4  4  0.2486  0.5000  0.7550  1.0
  O  O5  2  0.0000  0.5000  0.0000  1.0
]