data_[Hg4H16S4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  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 [9.9951]
_cell_length_b [5.9375]
_cell_length_c [6.5478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgH4SN]
_chemical_formula_sum '[Hg4 H16 S4 N4]'
_cell_volume [337.5812]
_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
[
  Hg  Hg0  4  0.0737  0.0000  0.7369  1.0
  H  H1  8  0.1245  0.3532  0.2194  1.0
  H  H2  4  0.0254  0.5000  0.7784  1.0
  H  H3  4  0.1541  0.5000  0.4602  1.0
  S  S4  4  0.2205  0.0000  0.1694  1.0
  N  N5  4  0.0927  0.5000  0.2750  1.0
]