data_[H4S12N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9417]
_cell_length_b [10.1287]
_cell_length_c [9.6157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [H2S6N]
_chemical_formula_sum '[H4 S12 N2]'
_cell_volume [469.6684]
_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
[
  H  H0  4  0.0825  0.6878  0.5354  1
  S  S1  4  0.1537  0.2399  0.8104  1
  S  S2  4  0.2031  0.6820  0.7064  1
  S  S3  4  0.3436  0.0633  0.8189  1
  N  N4  2  0.5000  0.0000  0.0000  1
]