# generated using pymatgen
data_FeH11C9S2N3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21367836
_cell_length_b   8.92342712
_cell_length_c   9.18623607
_cell_angle_alpha   110.15655090
_cell_angle_beta   103.28176939
_cell_angle_gamma   89.98369358
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH11C9S2N3O2
_chemical_formula_sum   'Fe2 H22 C18 S4 N6 O4'
_cell_volume   612.85777519
_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
  Fe  Fe0  1  0.66728621  0.89146412  0.52243538  1
  Fe  Fe1  1  0.33271342  0.10853863  0.47756812  1
  H  H2  1  0.98113749  0.48472080  0.63262590  1
  H  H3  1  0.01885354  0.51528294  0.36736568  1
  H  H4  1  0.72431662  0.58121470  0.01332415  1
  H  H5  1  0.27568665  0.41877827  0.98667880  1
  H  H6  1  0.81053878  0.22403239  0.49666750  1
  H  H7  1  0.18945222  0.77596741  0.50332741  1
  H  H8  1  0.56242206  0.31777677  0.86685031  1
  H  H9  1  0.43758822  0.68222161  0.13315576  1
  H  H10  1  0.77859876  0.05094520  0.89541381  1
  H  H11  1  0.22140162  0.94905019  0.10459291  1
  H  H12  1  0.68241224  0.92719172  0.97612221  1
  H  H13  1  0.31758229  0.07279998  0.02387669  1
  H  H14  1  0.56088646  0.05750484  0.89137287  1
  H  H15  1  0.43911393  0.94249294  0.10863110  1
  H  H16  1  0.93444417  0.78069054  0.02880403  1
  H  H17  1  0.06554940  0.21931393  0.97118894  1
  H  H18  1  0.93267856  0.78968853  0.83657759  1
  H  H19  1  0.06732699  0.21031006  0.16341483  1
  H  H20  1  0.09771002  0.70339674  0.93202288  1
  H  H21  1  0.90228903  0.29660321  0.06797990  1
  H  H22  1  0.53029633  0.78483420  0.71616329  1
  H  H23  1  0.46970376  0.21516446  0.28383509  1
  C  C24  1  0.05413160  0.01642581  0.68052428  1
  C  C25  1  0.94586436  0.98357202  0.31947312  1
  C  C26  1  0.88904927  0.45251367  0.68827237  1
  C  C27  1  0.11094660  0.54748879  0.31172217  1
  C  C28  1  0.67683990  0.52387372  0.34594279  1
  C  C29  1  0.32315925  0.47612380  0.65405582  1
  C  C30  1  0.74764715  0.50614005  0.89903563  1
  C  C31  1  0.25235962  0.49386130  0.10096658  1
  C  C32  1  0.86505453  0.55687899  0.83339082  1
  C  C33  1  0.13494501  0.44312320  0.16660569  1
  C  C34  1  0.79640506  0.30667025  0.61102133  1
  C  C35  1  0.20359156  0.69333118  0.38897500  1
  C  C36  1  0.65732053  0.35939323  0.82083372  1
  C  C37  1  0.34268487  0.64060868  0.17917016  1
  C  C38  1  0.66435285  0.97985235  0.88249214  1
  C  C39  1  0.33564571  0.02014353  0.11751035  1
  C  C40  1  0.96224057  0.71677492  0.91285365  1
  C  C41  1  0.03775857  0.28322696  0.08714258  1
  S  S42  1  0.25128835  0.08696639  0.74045690  1
  S  S43  1  0.74871029  0.91303391  0.25954712  1
  S  S44  1  0.66223472  0.33685755  0.23234572  1
  S  S45  1  0.33776549  0.66314327  0.76765376  1
  N  N46  1  0.91183334  0.96403790  0.64015086  1
  N  N47  1  0.08816767  0.03596291  0.35984632  1
  N  N48  1  0.68203077  0.26189289  0.67769141  1
  N  N49  1  0.31797044  0.73810852  0.32231014  1
  N  N50  1  0.68740738  0.66171839  0.42534227  1
  N  N51  1  0.31259309  0.33828334  0.57466020  1
  O  O52  1  0.58627436  0.12030793  0.59982407  1
  O  O53  1  0.41373430  0.87969030  0.40018360  1
  O  O54  1  0.63167857  0.85381147  0.72875907  1
  O  O55  1  0.36832094  0.14618813  0.27124112  1
