data_[S4N8O16]
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 [P1]
_cell_length_a [6.7200]
_cell_length_b [8.5477]
_cell_length_c [11.0093]
_cell_angle_alpha [89.1442]
_cell_angle_beta [89.7452]
_cell_angle_gamma [89.1971]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [S(NO2)2]
_chemical_formula_sum '[S4 N8 O16]'
_cell_volume [632.2467]
_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  1  0.1931  0.5619  0.4500  1
  S  S1  1  0.3300  0.4334  0.9533  1
  S  S2  1  0.6682  0.9399  0.5479  1
  S  S3  1  0.8256  0.0615  0.0468  1
  N  N4  1  0.0998  0.8164  0.7946  1
  N  N5  1  0.2799  0.0424  0.3415  1
  N  N6  1  0.2941  0.9734  0.8487  1
  N  N7  1  0.3233  0.1768  0.3222  1
  N  N8  1  0.6064  0.6863  0.2090  1
  N  N9  1  0.7042  0.4719  0.6457  1
  N  N10  1  0.7907  0.5195  0.1512  1
  N  N11  1  0.8956  0.3053  0.6951  1
  O  O12  1  0.0023  0.4862  0.4392  1
  O  O13  1  0.0122  0.9747  0.0562  1
  O  O14  1  0.0782  0.7126  0.8641  1
  O  O15  1  0.2024  0.9258  0.3021  1
  O  O16  1  0.2601  0.3911  0.0744  1
  O  O17  1  0.2613  0.5960  0.5718  1
  O  O18  1  0.2860  0.0920  0.7946  1
  O  O19  1  0.4122  0.2870  0.3664  1
  O  O20  1  0.4785  0.0232  0.5555  1
  O  O21  1  0.5010  0.5346  0.9436  1
  O  O22  1  0.5834  0.7890  0.1383  1
  O  O23  1  0.7162  0.5857  0.7019  1
  O  O24  1  0.7459  0.0915  0.9259  1
  O  O25  1  0.7498  0.9124  0.4276  1
  O  O26  1  0.7870  0.4041  0.2090  1
  O  O27  1  0.9127  0.2054  0.6235  1
]