data_[Hg16H192C192S32N32O64]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4_1/acd]
_cell_length_a [15.8422]
_cell_length_b [15.8422]
_cell_length_c [28.1276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [142]
_chemical_formula_structural [HgH12C12S2(NO2)2]
_chemical_formula_sum '[Hg16 H192 C192 S32 N32 O64]'
_cell_volume [7059.3086]
_cell_formula_units_Z [16]
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  16  0.0000  0.2500  0.1250  1
  H  H1  32  0.0122  0.1638  0.5012  1
  H  H2  32  0.0234  0.1291  0.3128  1
  H  H3  32  0.0399  0.1396  0.4414  1
  H  H4  32  0.0674  0.1260  0.9610  1
  H  H5  32  0.0762  0.1909  0.2684  1
  H  H6  32  0.0888  0.2167  0.3295  1
  C  C7  32  0.0105  0.1645  0.9643  1
  C  C8  32  0.0440  0.1926  0.3030  1
  C  C9  32  0.1069  0.2230  0.8086  1
  C  C10  32  0.1464  0.1467  0.6768  1
  C  C11  32  0.1842  0.2307  0.6773  1
  C  C12  32  0.1909  0.2323  0.9423  1
  S  S13  32  0.0469  0.1175  0.6611  1
  N  N14  32  0.0290  0.2486  0.8001  1
  O  O15  32  0.1557  0.1984  0.0823  1
  O  O16  32  0.1598  0.2137  0.5495  1
]