data_[K4H8S4N4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [5.7798]
_cell_length_b [8.1426]
_cell_length_c [8.0426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [KH2SNO3]
_chemical_formula_sum '[K4 H8 S4 N4 O12]'
_cell_volume [378.5026]
_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  4  0.3410  0.2500  0.0000  1
  H  H1  8  0.2439  0.6144  0.6450  1
  S  S2  4  0.1759  0.6369  0.2500  1
  N  N3  4  0.2940  0.6777  0.7500  1
  O  O4  8  0.2641  0.5614  0.0969  1
  O  O5  4  0.0779  0.1512  0.2500  1
]