# generated using pymatgen
data_Cr4FeH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35605656
_cell_length_b   9.71188404
_cell_length_c   13.67110838
_cell_angle_alpha   103.35351835
_cell_angle_beta   90.00001314
_cell_angle_gamma   90.00013531
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr4FeH32C12(NO2)6
_chemical_formula_sum   'Cr8 Fe2 H64 C24 N12 O24'
_cell_volume   1208.63907527
_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
  Cr  Cr0  1  0.10091190  0.86940228  0.73400421  1
  Cr  Cr1  1  0.60091442  0.63059098  0.76599563  1
  Cr  Cr2  1  0.89908758  0.13059756  0.26599542  1
  Cr  Cr3  1  0.39908472  0.36940969  0.23400657  1
  Cr  Cr4  1  0.95474999  0.55812743  0.72068646  1
  Cr  Cr5  1  0.45474899  0.94186523  0.77931635  1
  Cr  Cr6  1  0.04524935  0.44187427  0.27931501  1
  Cr  Cr7  1  0.54525005  0.05813426  0.22068253  1
  Fe  Fe8  1  -0.00000003  0.99999971  0.99999971  1
  Fe  Fe9  1  0.50000000  0.50000031  0.50000096  1
  H  H10  1  0.19592510  0.19446855  0.08852754  1
  H  H11  1  0.69592128  0.30552884  0.41146941  1
  H  H12  1  0.80407490  0.80553069  0.91147143  1
  H  H13  1  0.30407968  0.69447203  0.58853214  1
  H  H14  1  0.28226245  0.10157748  0.98745915  1
  H  H15  1  0.78226229  0.39841943  0.51253582  1
  H  H16  1  0.71773860  0.89842214  0.01254042  1
  H  H17  1  0.21773736  0.60158132  0.48746648  1
  H  H18  1  0.57631616  0.38170557  0.86553010  1
  H  H19  1  0.07632001  0.11828278  0.63447021  1
  H  H20  1  0.42368348  0.61829732  0.13447055  1
  H  H21  1  0.92367922  0.88171735  0.36552822  1
  H  H22  1  0.54386467  0.21179956  0.88317233  1
  H  H23  1  0.04386489  0.28818916  0.61682883  1
  H  H24  1  0.45613376  0.78820190  0.11682666  1
  H  H25  1  0.95613472  0.71181166  0.38317108  1
  H  H26  1  0.77543667  0.03557358  0.84891542  1
  H  H27  1  0.27543517  0.46442164  0.65108710  1
  H  H28  1  0.22456240  0.96442716  0.15108320  1
  H  H29  1  0.72456683  0.53557758  0.34891509  1
  H  H30  1  0.92795522  0.11059638  0.80509834  1
  H  H31  1  0.42795505  0.38940085  0.69490425  1
  H  H32  1  0.07204338  0.88940440  0.19489977  1
  H  H33  1  0.57204601  0.61059621  0.30509729  1
  H  H34  1  0.21487282  0.33172473  0.96567408  1
  H  H35  1  0.71487292  0.16827383  0.53432392  1
  H  H36  1  0.78512789  0.66827423  0.03432444  1
  H  H37  1  0.28512812  0.83172606  0.46567699  1
  H  H38  1  0.15129386  0.18448798  0.87419118  1
  H  H39  1  0.65129838  0.31551145  0.62580667  1
  H  H40  1  0.84870647  0.81551030  0.12580792  1
  H  H41  1  0.34870225  0.68448778  0.37419464  1
  H  H42  1  0.57551214  0.36636523  0.04333547  1
  H  H43  1  0.07551515  0.13362677  0.45666489  1
  H  H44  1  0.42448798  0.63363338  0.95666441  1
  H  H45  1  0.92448484  0.86637635  0.54333423  1
  H  H46  1  0.73318684  0.43628395  0.00057234  1
  H  H47  1  0.23319177  0.06371200  0.49942833  1
  H  H48  1  0.26681253  0.56371592  0.99942793  1
  H  H49  1  0.76680716  0.93628841  0.50057014  1
  H  H50  1  0.79003933  0.26232135  0.10376816  1
  H  H51  1  0.29003810  0.23767820  0.39623367  1
  H  H52  1  0.20996106  0.73767717  0.89623063  1
  H  H53  1  0.70996425  0.76232398  0.60376701  1
  H  H54  1  0.68917547  0.13013386  0.02151178  1
  H  H55  1  0.18917196  0.36986215  0.47849151  1
  H  H56  1  0.31082519  0.86986497  0.97848679  1
  H  H57  1  0.81083057  0.63014016  0.52150943  1
  H  H58  1  0.80501465  0.33620517  0.81306559  1
  H  H59  1  0.30501756  0.16379030  0.68693635  1
  H  H60  1  0.19498349  0.66379565  0.18693344  1
  H  H61  1  0.69498100  0.83620721  0.31306286  1
  H  H62  1  0.70032529  0.19243684  0.74511289  1
  H  H63  1  0.20032570  0.30755687  0.75488836  1
  H  H64  1  0.29967320  0.80756388  0.25488650  1
  H  H65  1  0.79967325  0.69244060  0.24511149  1
  H  H66  1  0.98377470  0.35399445  0.05527799  1
  H  H67  1  0.48377223  0.14600386  0.44472291  1
  H  H68  1  0.01622552  0.64600544  0.94472020  1
  H  H69  1  0.51622880  0.85399678  0.55527783  1
  H  H70  1  0.96852238  0.36939738  0.92719936  1
  H  H71  1  0.46852365  0.13060063  0.57280169  1
  H  H72  1  0.03147877  0.63060182  0.07279880  1
  H  H73  1  0.53147686  0.86939828  0.42719872  1
  C  C74  1  0.83533513  0.13448974  0.85497741  1
  C  C75  1  0.33533464  0.36550634  0.64502458  1
  C  C76  1  0.16466432  0.86551084  0.14502109  1
  C  C77  1  0.66466564  0.63449230  0.35497657  1
  C  C78  1  0.14175963  0.24066421  0.95315673  1
  C  C79  1  0.64176055  0.25933382  0.54684159  1
  C  C80  1  0.85824086  0.75933458  0.04684198  1
  C  C81  1  0.35824043  0.74066536  0.45315951  1
  C  C82  1  0.66965138  0.33992148  0.99487633  1
  C  C83  1  0.16965421  0.16007260  0.50512479  1
  C  C84  1  0.33034786  0.66007783  0.00512349  1
  C  C85  1  0.83034540  0.83992932  0.49487443  1
  C  C86  1  0.75544173  0.22447707  0.02583458  1
  C  C87  1  0.25544089  0.27552110  0.47416782  1
  C  C88  1  0.24455870  0.77552229  0.97416431  1
  C  C89  1  0.74456055  0.72448029  0.52583291  1
  C  C90  1  0.74372024  0.24236617  0.81925717  1
  C  C91  1  0.24372100  0.25762835  0.68074461  1
  C  C92  1  0.25627819  0.75763440  0.18074249  1
  C  C93  1  0.75627808  0.74237038  0.31925552  1
  C  C94  1  0.99093002  0.29627467  0.97622529  1
  C  C95  1  0.49092983  0.20372394  0.52377530  1
  C  C96  1  0.00907059  0.70372511  0.02377332  1
  C  C97  1  0.50907090  0.79627542  0.47622542  1
  N  N98  1  0.88214627  0.18146048  0.96104156  1
  N  N99  1  0.38214615  0.31853813  0.53896048  1
  N  N100  1  0.11785378  0.81853953  0.03895697  1
  N  N101  1  0.61785507  0.68146159  0.46104089  1
  N  N102  1  0.18456005  0.14145376  0.01479224  1
  N  N103  1  0.68455949  0.35854428  0.48520541  1
  N  N104  1  0.81543960  0.85854667  0.98520816  1
  N  N105  1  0.31544156  0.64145678  0.51479715  1
  N  N106  1  0.62193864  0.29255203  0.88859592  1
  N  N107  1  0.12194049  0.20743953  0.61140525  1
  N  N108  1  0.37806091  0.70744963  0.11140367  1
  N  N109  1  0.87805955  0.79256032  0.38859393  1
  O  O110  1  0.05162996  0.91446906  0.85900958  1
  O  O111  1  0.55163717  0.58553110  0.64098900  1
  O  O112  1  0.94836972  0.08553066  0.14098964  1
  O  O113  1  0.44836238  0.41446874  0.35901327  1
  O  O114  1  0.03230952  0.98207490  0.66822877  1
  O  O115  1  0.53230783  0.51791327  0.83176452  1
  O  O116  1  0.96769034  0.01792557  0.33177093  1
  O  O117  1  0.46769106  0.48208987  0.16824009  1
  O  O118  1  0.92505084  0.41964472  0.62368650  1
  O  O119  1  0.42505342  0.08034389  0.87631887  1
  O  O120  1  0.07494785  0.58035464  0.37631676  1
  O  O121  1  0.57494431  0.91965710  0.12367791  1
  O  O122  1  0.04504125  0.69241397  0.67296102  1
  O  O123  1  0.54504542  0.80757959  0.82703831  1
  O  O124  1  0.95495467  0.30758764  0.32703772  1
  O  O125  1  0.45495422  0.19242166  0.17296266  1
  O  O126  1  0.29279628  0.85738750  0.71960059  1
  O  O127  1  0.79279796  0.64260328  0.78040296  1
  O  O128  1  0.70720301  0.14261009  0.28039866  1
  O  O129  1  0.20720112  0.35739705  0.21959912  1
  O  O130  1  0.04947559  0.50910932  0.80805328  1
  O  O131  1  0.54947040  0.99088851  0.69194918  1
  O  O132  1  0.95052842  0.49089665  0.19194767  1
  O  O133  1  0.45052881  0.00910842  0.30804828  1
