data_[Hg4H64C32S8N24]
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
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.9669]
_cell_length_b [6.6958]
_cell_length_c [15.0426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HgH16C8(SN3)2]
_chemical_formula_sum '[Hg4 H64 C32 S8 N24]'
_cell_volume [1539.5948]
_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  0.0000  0.4837  0.2500  1
  H  H1  8  0.0641  0.2192  0.4201  1
  H  H2  8  0.1025  0.3250  0.1444  1
  H  H3  8  0.1090  0.0634  0.9632  1
  H  H4  8  0.1452  0.0070  0.8798  1
  H  H5  8  0.1703  0.2497  0.6678  1
  H  H6  8  0.1739  0.1514  0.1455  1
  H  H7  8  0.1769  0.2338  0.9550  1
  H  H8  8  0.2009  0.4093  0.1650  1
  C  C9  8  0.0730  0.2131  0.7025  1
  C  C10  8  0.1641  0.0748  0.9575  1
  C  C11  8  0.1715  0.2890  0.1829  1
  C  C12  8  0.2397  0.3770  0.3743  1
  S  S13  8  0.0608  0.4159  0.4372  1
  N  N14  8  0.1224  0.2277  0.6800  1
  N  N15  8  0.2193  0.2535  0.3012  1
  N  N16  8  0.2419  0.0231  0.5474  1
]