# generated using pymatgen
data_V2CrFe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35850060
_cell_length_b   9.71041640
_cell_length_c   13.66348571
_cell_angle_alpha   103.37498598
_cell_angle_beta   90.00002025
_cell_angle_gamma   90.00013113
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrFe2H32C12(NO2)6
_chemical_formula_sum   'V4 Cr2 Fe4 H64 C24 N12 O24'
_cell_volume   1207.99059165
_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  0.10002309  0.87009648  0.73413534  1
  Fe  Fe1  1  0.60002521  0.62989530  0.76586429  1
  Fe  Fe2  1  0.89997416  0.12990359  0.26586301  1
  Fe  Fe3  1  0.39997240  0.37010728  0.23413810  1
  V  V4  1  0.95756430  0.55857819  0.72279687  1
  V  V5  1  0.45756596  0.94141478  0.77720498  1
  V  V6  1  0.04243393  0.44142468  0.27720527  1
  V  V7  1  0.54243157  0.05858440  0.22279290  1
  Cr  Cr8  1  0.00000015  0.99999972  0.99999958  1
  Cr  Cr9  1  0.50000054  0.50000095  0.50000070  1
  H  H10  1  0.19575684  0.19513826  0.08987173  1
  H  H11  1  0.69575334  0.30486170  0.41012615  1
  H  H12  1  0.80424308  0.80486238  0.91012787  1
  H  H13  1  0.30424882  0.69513974  0.58987592  1
  H  H14  1  0.27937899  0.09998265  0.98791185  1
  H  H15  1  0.77937748  0.40001739  0.51208535  1
  H  H16  1  0.72062237  0.90001750  0.01208839  1
  H  H17  1  0.22062247  0.59998435  0.48791771  1
  H  H18  1  0.55085822  0.43758247  0.85392043  1
  H  H19  1  0.05085895  0.06240306  0.64607576  1
  H  H20  1  0.44914069  0.56242046  0.14608366  1
  H  H21  1  0.94914038  0.93760060  0.35392282  1
  H  H22  1  0.54583549  0.21584128  0.88417368  1
  H  H23  1  0.04583350  0.28415034  0.61582938  1
  H  H24  1  0.45416341  0.78415812  0.11582479  1
  H  H25  1  0.95416609  0.71585022  0.38417132  1
  H  H26  1  0.78029701  0.03062200  0.84924307  1
  H  H27  1  0.28029427  0.46937331  0.65075860  1
  H  H28  1  0.21970201  0.96937822  0.15075474  1
  H  H29  1  0.71970655  0.53062528  0.34924362  1
  H  H30  1  0.92954800  0.10915641  0.80475833  1
  H  H31  1  0.42954847  0.39084163  0.69524323  1
  H  H32  1  0.07045090  0.89084374  0.19523940  1
  H  H33  1  0.57045102  0.60915564  0.30475820  1
  H  H34  1  0.21573189  0.33059135  0.96649481  1
  H  H35  1  0.71573210  0.16940914  0.53350299  1
  H  H36  1  0.78426937  0.66940727  0.03350272  1
  H  H37  1  0.28426935  0.83059058  0.46649721  1
  H  H38  1  0.15189708  0.18336372  0.87566916  1
  H  H39  1  0.65189919  0.31663661  0.62432914  1
  H  H40  1  0.84810386  0.81663308  0.12432975  1
  H  H41  1  0.34810233  0.68336211  0.37567222  1
  H  H42  1  0.58357657  0.36302601  0.04774416  1
  H  H43  1  0.08357632  0.13696761  0.45225447  1
  H  H44  1  0.41642399  0.63697188  0.95225483  1
  H  H45  1  0.91642346  0.86303548  0.54774473  1
  H  H46  1  0.73949902  0.42953448  0.00360874  1
  H  H47  1  0.23949957  0.07046299  0.49639135  1
  H  H48  1  0.26050050  0.57046525  0.99639045  1
  H  H49  1  0.76049880  0.92953723  0.50360776  1
  H  H50  1  0.79431699  0.25807338  0.10493666  1
  H  H51  1  0.29431545  0.24192711  0.39506421  1
  H  H52  1  0.20568472  0.74192583  0.89506182  1
  H  H53  1  0.70568756  0.75807402  0.60493694  1
  H  H54  1  0.69265773  0.12490180  0.02384249  1
  H  H55  1  0.19265625  0.37509594  0.47615954  1
  H  H56  1  0.30734349  0.87509751  0.97615652  1
  H  H57  1  0.80734667  0.62490566  0.52384098  1
  H  H58  1  0.80682502  0.32882932  0.81181504  1
  H  H59  1  0.30682727  0.17116779  0.68818630  1
  H  H60  1  0.19317465  0.67117251  0.18818512  1
  H  H61  1  0.69317285  0.82882748  0.31181139  1
  H  H62  1  0.70093166  0.18335939  0.74882407  1
  H  H63  1  0.20093226  0.31663656  0.75117656  1
  H  H64  1  0.29906818  0.81664320  0.25117473  1
  H  H65  1  0.79906871  0.68335745  0.24882373  1
  H  H66  1  0.98289311  0.35511111  0.05680175  1
  H  H67  1  0.48289145  0.14488778  0.44319872  1
  H  H68  1  0.01710802  0.64488735  0.94319631  1
  H  H69  1  0.51711024  0.85511307  0.55680246  1
  H  H70  1  0.96761633  0.36634440  0.92713909  1
  H  H71  1  0.46761709  0.13365495  0.57286222  1
  H  H72  1  0.03238491  0.63365456  0.07285905  1
  H  H73  1  0.53238412  0.86634360  0.42713863  1
  C  C74  1  0.83863539  0.13035120  0.85611490  1
  C  C75  1  0.33863574  0.36964614  0.64388628  1
  C  C76  1  0.16136382  0.86964898  0.14388317  1
  C  C77  1  0.66136425  0.63035171  0.35611481  1
  C  C78  1  0.14193722  0.24023617  0.95450020  1
  C  C79  1  0.64193690  0.25976347  0.54549836  1
  C  C80  1  0.85806384  0.75976261  0.04549829  1
  C  C81  1  0.35806426  0.74023611  0.45450287  1
  C  C82  1  0.67363281  0.33375833  0.99518286  1
  C  C83  1  0.17363216  0.16623814  0.50481779  1
  C  C84  1  0.32636741  0.66624079  0.00481632  1
  C  C85  1  0.82636748  0.83376294  0.49518180  1
  C  C86  1  0.75928665  0.21874629  0.02735270  1
  C  C87  1  0.25928563  0.28125194  0.47264848  1
  C  C88  1  0.24071435  0.78125315  0.97264598  1
  C  C89  1  0.74071622  0.71874888  0.52735235  1
  C  C90  1  0.74326644  0.23791564  0.82245365  1
  C  C91  1  0.24326773  0.26208039  0.67754714  1
  C  C92  1  0.25673287  0.76208568  0.17754548  1
  C  C93  1  0.75673243  0.73791589  0.32245253  1
  C  C94  1  0.99154355  0.29551056  0.97755339  1
  C  C95  1  0.49154289  0.20448823  0.52244705  1
  C  C96  1  0.00845725  0.70448792  0.02244449  1
  C  C97  1  0.50845818  0.79551146  0.47755445  1
  N  N98  1  0.88596277  0.17693290  0.96212425  1
  N  N99  1  0.38596242  0.32306588  0.53787679  1
  N  N100  1  0.11403733  0.82306655  0.03787382  1
  N  N101  1  0.61403875  0.67693372  0.46212466  1
  N  N102  1  0.18166465  0.14038080  0.01624977  1
  N  N103  1  0.68166257  0.35961911  0.48374824  1
  N  N104  1  0.81833650  0.85961932  0.98374969  1
  N  N105  1  0.31833809  0.64038185  0.51625377  1
  N  N106  1  0.62651183  0.29080600  0.89120030  1
  N  N107  1  0.12651253  0.20918862  0.60880073  1
  N  N108  1  0.37348763  0.70919325  0.10879902  1
  N  N109  1  0.87348656  0.79081083  0.39119880  1
  O  O110  1  0.04919799  0.92578093  0.87217476  1
  O  O111  1  0.54920596  0.57422129  0.62782382  1
  O  O112  1  0.95080163  0.07422126  0.12782376  1
  O  O113  1  0.45079326  0.42577703  0.37217898  1
  O  O114  1  -0.00451169  0.98678220  0.66800764  1
  O  O115  1  0.49548795  0.51319757  0.83198056  1
  O  O116  1  1.00451221  0.01322098  0.33199152  1
  O  O117  1  0.50451256  0.48680948  0.16802726  1
  O  O118  1  0.91404550  0.41948201  0.62609805  1
  O  O119  1  0.41405089  0.08051024  0.87390524  1
  O  O120  1  0.08595311  0.58051646  0.37390718  1
  O  O121  1  0.58594683  0.91949280  0.12608986  1
  O  O122  1  0.05228952  0.68300264  0.66929593  1
  O  O123  1  0.55229333  0.81698996  0.83070405  1
  O  O124  1  0.94770528  0.31699799  0.33070193  1
  O  O125  1  0.44770351  0.18301262  0.16929730  1
  O  O126  1  0.29969618  0.85709769  0.71470570  1
  O  O127  1  0.79969724  0.64289477  0.78529946  1
  O  O128  1  0.70030127  0.14289845  0.28529470  1
  O  O129  1  0.20030041  0.35710825  0.21470138  1
  O  O130  1  0.05958789  0.50656682  0.80997603  1
  O  O131  1  0.55958552  0.99342732  0.69002435  1
  O  O132  1  0.94041197  0.49344290  0.19002822  1
  O  O133  1  0.44041093  0.00656645  0.30997065  1
