data_[Fe4Hg4H32C56S16N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  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 [11.7211]
_cell_length_b [12.8731]
_cell_length_c [11.7419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [FeHgH8C14(S2N3)2]
_chemical_formula_sum '[Fe4 Hg4 H32 C56 S16 N24]'
_cell_volume [1756.0349]
_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
[
  Fe  Fe0  4  0.2500  0.2500  0.5000  1
  Hg  Hg1  4  0.0000  0.4488  0.7500  1
  H  H2  8  0.0059  0.1337  0.8446  1
  H  H3  8  0.0938  0.1871  0.2953  1
  H  H4  8  0.1424  0.1295  0.0256  1
  H  H5  8  0.2412  0.0366  0.5890  1
  C  C6  8  0.0255  0.3651  0.4199  1
  C  C7  8  0.0377  0.0271  0.3039  1
  C  C8  8  0.0528  0.0627  0.8708  1
  C  C9  8  0.0990  0.1159  0.3449  1
  C  C10  8  0.1272  0.0603  0.9730  1
  C  C11  8  0.1777  0.2711  0.7367  1
  C  C12  8  0.1832  0.0316  0.5088  1
  S  S13  8  0.0974  0.4230  0.1240  1
  S  S14  8  0.1456  0.3169  0.8581  1
  N  N15  8  0.1135  0.3234  0.4514  1
  N  N16  8  0.1690  0.1191  0.4461  1
  N  N17  8  0.2019  0.2412  0.6477  1
]