# generated using pymatgen
data_FeH20C26S2(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.01823444
_cell_length_b   11.11061748
_cell_length_c   11.69759104
_cell_angle_alpha   62.92865792
_cell_angle_beta   79.16813381
_cell_angle_gamma   77.39252006
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH20C26S2(NO2)2
_chemical_formula_sum   'Fe2 H40 C52 S4 N4 O8'
_cell_volume   1237.89214662
_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  0.80945137  0.22172632  0.32847287  1
  Fe  Fe1  1  0.19055054  0.77827390  0.67152413  1
  H  H2  1  0.74897594  0.43255714  0.43228180  1
  H  H3  1  0.25102535  0.56743852  0.56772272  1
  H  H4  1  0.59008661  0.63544699  0.41291932  1
  H  H5  1  0.40991344  0.36454639  0.58708988  1
  H  H6  1  0.41492498  0.56069930  0.15212711  1
  H  H7  1  0.58507874  0.43930524  0.84787258  1
  H  H8  1  0.57887889  0.35916516  0.18464941  1
  H  H9  1  0.42112502  0.64084003  0.81534668  1
  H  H10  1  0.22528111  0.87875706  0.14210877  1
  H  H11  1  0.77472371  0.12124110  0.85788934  1
  H  H12  1  0.34437955  0.79771577  0.06367097  1
  H  H13  1  0.65562722  0.20227888  0.93633155  1
  H  H14  1  0.15579718  0.63490118  0.38683895  1
  H  H15  1  0.84420329  0.36510236  0.61316071  1
  H  H16  1  0.03403207  0.44780845  0.43654107  1
  H  H17  1  0.96597028  0.55219085  0.56346217  1
  H  H18  1  0.09605635  0.52346781  0.03648791  1
  H  H19  1  0.90394729  0.47652647  0.96351664  1
  H  H20  1  0.23451551  0.68995494  0.99140407  1
  H  H21  1  0.76548712  0.31004152  0.00859720  1
  H  H22  1  0.58056155  0.08042179  0.47745978  1
  H  H23  1  0.41943902  0.91958996  0.52253140  1
  H  H24  1  0.52416514  0.89464891  0.68957451  1
  H  H25  1  0.47583011  0.10536418  0.31041582  1
  H  H26  1  0.88627033  0.87873573  0.79858902  1
  H  H27  1  0.11372277  0.12127236  0.20140984  1
  H  H28  1  0.92619453  0.06623060  0.58264512  1
  H  H29  1  0.07380381  0.93377458  0.41735370  1
  H  H30  1  0.76455216  0.60533089  0.08404980  1
  H  H31  1  0.23544042  0.39467041  0.91594186  1
  H  H32  1  0.87004422  0.69066277  0.94940210  1
  H  H33  1  0.12994773  0.30934229  0.05059072  1
  H  H34  1  0.98041467  0.78440996  0.03993736  1
  H  H35  1  0.01958009  0.21557831  0.96007016  1
  H  H36  1  0.98035606  0.93403772  0.14533080  1
  H  H37  1  0.01964193  0.06594741  0.85467962  1
  H  H38  1  0.57789839  0.01297461  0.17665187  1
  H  H39  1  0.42210006  0.98702557  0.82334911  1
  H  H40  1  0.57634451  0.85881753  0.07562763  1
  H  H41  1  0.42365000  0.14118428  0.92437265  1
  C  C42  1  0.67250790  0.46374353  0.37297857  1
  C  C43  1  0.32749419  0.53625346  0.62702496  1
  C  C44  1  0.58379958  0.57749079  0.36103101  1
  C  C45  1  0.41620159  0.42250527  0.63897530  1
  C  C46  1  0.48780699  0.61275686  0.28241418  1
  C  C47  1  0.51219509  0.38724189  0.71759064  1
  C  C48  1  0.48519175  0.53528177  0.21638355  1
  C  C49  1  0.51481140  0.46472054  0.78361710  1
  C  C50  1  0.57721773  0.42249496  0.23390595  1
  C  C51  1  0.42278556  0.57750781  0.76609286  1
  C  C52  1  0.28397577  0.78100596  0.15400288  1
  C  C53  1  0.71602885  0.21899145  0.84599818  1
  C  C54  1  0.20527394  0.67243844  0.18711576  1
  C  C55  1  0.79472947  0.32755947  0.81288534  1
  C  C56  1  0.14572368  0.60643719  0.31131033  1
  C  C57  1  0.85427875  0.39356239  0.68869044  1
  C  C58  1  0.07617944  0.50401331  0.33875780  1
  C  C59  1  0.92382397  0.49598529  0.66124514  1
  C  C60  1  0.05733124  0.47363878  0.24039119  1
  C  C61  1  0.94267299  0.52635778  0.75961288  1
  C  C62  1  0.11279570  0.54326282  0.11491471  1
  C  C63  1  0.88720723  0.45673349  0.88508860  1
  C  C64  1  0.18911348  0.63906321  0.08939198  1
  C  C65  1  0.81088943  0.36093353  0.91060975  1
  C  C66  1  0.97461351  0.37253493  0.26914366  1
  C  C67  1  0.02539143  0.62746151  0.73086079  1
  C  C68  1  0.64560879  0.03231225  0.55110645  1
  C  C69  1  0.35438960  0.96769863  0.44888666  1
  C  C70  1  0.61434052  0.92822764  0.67054408  1
  C  C71  1  0.38565489  0.07178410  0.32944871  1
  C  C72  1  0.70133083  0.87042391  0.76228648  1
  C  C73  1  0.29866318  0.12958575  0.23770816  1
  C  C74  1  0.81560758  0.91909777  0.73181323  1
  C  C75  1  0.18438699  0.08091046  0.26818341  1
  C  C76  1  0.83926045  0.02383796  0.61016680  1
  C  C77  1  0.16073726  0.97616865  0.38983089  1
  C  C78  1  0.77955441  0.70495948  0.00376185  1
  C  C79  1  0.22043803  0.29504378  0.99623311  1
  C  C80  1  0.77766613  0.80698794  0.05578407  1
  C  C81  1  0.22232821  0.19300936  0.94421693  1
  C  C82  1  0.89137363  0.83136564  0.07251008  1
  C  C83  1  0.10862179  0.16862538  0.92749611  1
  C  C84  1  0.89245876  0.91689194  0.12944036  1
  C  C85  1  0.10753829  0.08309766  0.87056713  1
  C  C86  1  0.77980496  0.98119299  0.16858905  1
  C  C87  1  0.22019366  0.01880210  0.83141385  1
  C  C88  1  0.66595828  0.96173152  0.14739165  1
  C  C89  1  0.33403945  0.03826622  0.85261074  1
  C  C90  1  0.66527958  0.87476605  0.09156783  1
  C  C91  1  0.33471577  0.12523286  0.90843429  1
  C  C92  1  0.78312220  0.07195634  0.22848677  1
  C  C93  1  0.21687863  0.92804178  0.77151206  1
  S  S94  1  0.37914385  0.75251403  0.27598476  1
  S  S95  1  0.62085711  0.24748485  0.72401861  1
  S  S96  1  0.65541762  0.74027421  0.90696149  1
  S  S97  1  0.34457417  0.25973554  0.09303205  1
  N  N98  1  0.66755936  0.38650124  0.31226864  1
  N  N99  1  0.33244331  0.61349970  0.68773085  1
  N  N100  1  0.75650381  0.07850116  0.52121917  1
  N  N101  1  0.24349586  0.92150638  0.47877643  1
  O  O102  1  0.94325087  0.29427611  0.38718699  1
  O  O103  1  0.05675476  0.70571836  0.61281682  1
  O  O104  1  0.93241079  0.36943858  0.17616141  1
  O  O105  1  0.06759321  0.63056036  0.82384206  1
  O  O106  1  0.88929651  0.07956096  0.25268782  1
  O  O107  1  0.11070479  0.92043439  0.74731307  1
  O  O108  1  0.68239661  0.14200187  0.25320327  1
  O  O109  1  0.31760589  0.85800188  0.74678994  1
