data_[S16N16O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [6.2152]
_cell_length_b [10.5547]
_cell_length_c [13.2242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [S4N4O3]
_chemical_formula_sum '[S16 N16 O12]'
_cell_volume [829.9506]
_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
[
  S  S0  4  0.0173  0.6902  0.9746  1
  S  S1  4  0.0716  0.5548  0.3796  1
  S  S2  4  0.3186  0.6072  0.3076  1
  S  S3  4  0.3537  0.6152  0.8702  1
  N  N4  4  0.0008  0.1700  0.0622  1
  N  N5  4  0.1861  0.5997  0.9398  1
  N  N6  4  0.3339  0.2005  0.8509  1
  N  N7  4  0.3744  0.7475  0.8229  1
  O  O8  4  0.1931  0.1245  0.7860  1
  O  O9  4  0.3061  0.1825  0.3375  1
  O  O10  4  0.4907  0.1538  0.9239  1
]