data_[H14S4N4]
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 [C2/m]
_cell_length_a [6.1290]
_cell_length_b [6.9820]
_cell_length_c [5.9212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H7(SN)2]
_chemical_formula_sum '[H14 S4 N4]'
_cell_volume [241.7573]
_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  8  0.1787  0.1191  0.3205  1.0
  H  H1  4  0.1791  0.5000  0.4309  1.0
  H  H2  2  0.0000  0.0000  0.5000  1.0
  S  S3  4  0.0000  0.3564  0.0000  1.0
  N  N4  4  0.1782  0.0000  0.4235  1.0
]