# generated using pymatgen
data_V2Fe3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37689233
_cell_length_b   9.73432349
_cell_length_c   13.67389869
_cell_angle_alpha   103.43931391
_cell_angle_beta   90.00000575
_cell_angle_gamma   90.00012216
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Fe3H32C12(NO2)6
_chemical_formula_sum   'V4 Fe6 H64 C24 N12 O24'
_cell_volume   1213.94428357
_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
  V  V0  1  0.09086444  0.86172241  0.73076593  1
  V  V1  1  0.59086797  0.63827159  0.76923394  1
  V  V2  1  0.90913825  0.13827304  0.26923268  1
  V  V3  1  0.40913751  0.36173484  0.23076808  1
  Fe  Fe4  1  0.94287081  0.55028668  0.72828786  1
  Fe  Fe5  1  0.44286884  0.94970620  0.77171566  1
  Fe  Fe6  1  0.05711876  0.44971355  0.27170513  1
  Fe  Fe7  1  0.55711988  0.05029533  0.22829043  1
  Fe  Fe8  1  0.00000099  1.00000065  1.00000007  1
  Fe  Fe9  1  0.50000236  0.49999981  0.50000000  1
  H  H10  1  0.19296989  0.19488992  0.08842121  1
  H  H11  1  0.69296605  0.30510825  0.41157655  1
  H  H12  1  0.80703134  0.80510919  0.91157789  1
  H  H13  1  0.30703493  0.69489398  0.58842468  1
  H  H14  1  0.28014816  0.10250300  0.98766316  1
  H  H15  1  0.78014728  0.39749881  0.51233507  1
  H  H16  1  0.71985092  0.89750227  0.01234049  1
  H  H17  1  0.21985180  0.60249630  0.48766189  1
  H  H18  1  0.57842376  0.38087377  0.86993917  1
  H  H19  1  0.07842631  0.11912188  0.63006204  1
  H  H20  1  0.42157581  0.61912651  0.13006083  1
  H  H21  1  0.92157414  0.88087812  0.36993710  1
  H  H22  1  0.47512421  0.17537854  0.89115727  1
  H  H23  1  -0.02487770  0.32461383  0.60884442  1
  H  H24  1  0.52487561  0.82462212  0.10883858  1
  H  H25  1  1.02487798  0.67538635  0.39115919  1
  H  H26  1  0.75963471  0.03376874  0.85270774  1
  H  H27  1  0.25963366  0.46622963  0.64729593  1
  H  H28  1  0.24036947  0.96623487  0.14729132  1
  H  H29  1  0.74037286  0.53376644  0.35270701  1
  H  H30  1  0.91148617  0.09403164  0.79748883  1
  H  H31  1  0.41148621  0.40596736  0.70251351  1
  H  H32  1  0.08851809  0.90597150  0.20251238  1
  H  H33  1  0.58851959  0.59402720  0.29748641  1
  H  H34  1  0.20716840  0.33228476  0.96963438  1
  H  H35  1  0.70716725  0.16771322  0.53036359  1
  H  H36  1  0.79283365  0.66771130  0.03036613  1
  H  H37  1  0.29283618  0.83229116  0.46963537  1
  H  H38  1  0.16359879  0.18342494  0.87313975  1
  H  H39  1  0.66360677  0.31657327  0.62685858  1
  H  H40  1  0.83638955  0.81657098  0.12685951  1
  H  H41  1  0.33638113  0.68342990  0.37314275  1
  H  H42  1  0.58407206  0.36763646  0.04483115  1
  H  H43  1  0.08407181  0.13236083  0.45517110  1
  H  H44  1  0.41592833  0.63236371  0.95516901  1
  H  H45  1  0.91592821  0.86764035  0.54482857  1
  H  H46  1  0.74058191  0.44025864  0.00629510  1
  H  H47  1  0.24058293  0.05973895  0.49370538  1
  H  H48  1  0.25941841  0.55974222  0.99370557  1
  H  H49  1  0.75941745  0.94026055  0.50629227  1
  H  H50  1  0.79921154  0.26303856  0.10198314  1
  H  H51  1  0.29921143  0.23696217  0.39801894  1
  H  H52  1  0.20078743  0.73696154  0.89801784  1
  H  H53  1  0.70078952  0.76303920  0.60198084  1
  H  H54  1  0.69413516  0.13271171  0.02243205  1
  H  H55  1  0.19413318  0.36728578  0.47757074  1
  H  H56  1  0.30586570  0.86728902  0.97756803  1
  H  H57  1  0.80586950  0.63271465  0.52242979  1
  H  H58  1  0.80687178  0.32283938  0.80207892  1
  H  H59  1  0.30687578  0.17715774  0.69792135  1
  H  H60  1  0.19312743  0.67716431  0.19791854  1
  H  H61  1  0.69312530  0.82283459  0.30207979  1
  H  H62  1  0.68544352  0.18753472  0.74788561  1
  H  H63  1  0.18544582  0.31245947  0.75211636  1
  H  H64  1  0.31455835  0.81246539  0.25211410  1
  H  H65  1  0.81455765  0.68753705  0.24788397  1
  H  H66  1  0.96192211  0.42525798  0.10448325  1
  H  H67  1  0.46192187  0.07473615  0.39551134  1
  H  H68  1  0.03808007  0.57472610  0.89550543  1
  H  H69  1  0.53808270  0.92527986  0.60449996  1
  H  H70  1  0.96663514  0.37435894  0.93130501  1
  H  H71  1  0.46663774  0.12564223  0.56869703  1
  H  H72  1  0.03335982  0.62564825  0.06869916  1
  H  H73  1  0.53335674  0.87434905  0.43129749  1
  C  C74  1  0.82487182  0.12687554  0.85175054  1
  C  C75  1  0.32487220  0.37312330  0.64825120  1
  C  C76  1  0.17513099  0.87312863  0.14824841  1
  C  C77  1  0.67513267  0.62687087  0.35175034  1
  C  C78  1  0.14061936  0.23660960  0.95205576  1
  C  C79  1  0.64062113  0.26339105  0.54794354  1
  C  C80  1  0.85937682  0.76339397  0.04794457  1
  C  C81  1  0.35937532  0.73660560  0.45205619  1
  C  C82  1  0.67638219  0.34237200  0.99433888  1
  C  C83  1  0.17638263  0.15762583  0.50566274  1
  C  C84  1  0.32361818  0.65762968  0.00566156  1
  C  C85  1  0.82361776  0.84237370  0.49433635  1
  C  C86  1  0.76038617  0.22598814  0.02498152  1
  C  C87  1  0.26038656  0.27401098  0.47502092  1
  C  C88  1  0.23961338  0.77401317  0.97501928  1
  C  C89  1  0.73961432  0.72598857  0.52497887  1
  C  C90  1  0.73718945  0.23942919  0.81879564  1
  C  C91  1  0.23719176  0.26056766  0.68120577  1
  C  C92  1  0.26281197  0.76057417  0.18120325  1
  C  C93  1  0.76281201  0.73942665  0.31879528  1
  C  C94  1  0.99080958  0.28036793  0.96092461  1
  C  C95  1  0.49081336  0.21963368  0.53907792  1
  C  C96  1  0.00918215  0.71964076  0.03908102  1
  C  C97  1  0.50917955  0.78035570  0.46091518  1
  N  N98  1  0.88231578  0.17834370  0.95583673  1
  N  N99  1  0.38231517  0.32165630  0.54416519  1
  N  N100  1  0.11768529  0.82166033  0.04416294  1
  N  N101  1  0.61768744  0.67833960  0.45583564  1
  N  N102  1  0.18052974  0.13890163  0.01511934  1
  N  N103  1  0.68053021  0.36109722  0.48487912  1
  N  N104  1  0.81946486  0.86109779  0.98488043  1
  N  N105  1  0.31946462  0.63890417  0.51512167  1
  N  N106  1  0.62717037  0.29714379  0.89142060  1
  N  N107  1  0.12717208  0.20285272  0.60858150  1
  N  N108  1  0.37283285  0.70285873  0.10857927  1
  N  N109  1  0.87283280  0.79714469  0.39141876  1
  O  O110  1  0.05305052  0.90747422  0.85974227  1
  O  O111  1  0.55305934  0.59252126  0.64025650  1
  O  O112  1  0.94695696  0.09252640  0.14025722  1
  O  O113  1  0.44695299  0.40747772  0.35974431  1
  O  O114  1  0.01048706  0.97673911  0.67301987  1
  O  O115  1  0.51048569  0.52325660  0.82697909  1
  O  O116  1  0.98951212  0.02325854  0.32698146  1
  O  O117  1  0.48951415  0.47674851  0.17301970  1
  O  O118  1  0.89875076  0.39793015  0.62073493  1
  O  O119  1  0.39875233  0.10206315  0.87926860  1
  O  O120  1  0.10124337  0.60206135  0.37926522  1
  O  O121  1  0.60124017  0.89794697  0.12073011  1
  O  O122  1  0.03300092  0.69014290  0.67336739  1
  O  O123  1  0.53300825  0.80985229  0.82663242  1
  O  O124  1  0.96699613  0.30985572  0.32662908  1
  O  O125  1  0.46699043  0.19015176  0.17336974  1
  O  O126  1  0.27629974  0.85912467  0.70777786  1
  O  O127  1  0.77630168  0.64086652  0.79222609  1
  O  O128  1  0.72370244  0.14086423  0.29221424  1
  O  O129  1  0.22370286  0.35914713  0.20778429  1
  O  O130  1  0.04510413  0.49975026  0.83387882  1
  O  O131  1  0.54510198  1.00025325  0.66612766  1
  O  O132  1  0.95489433  0.50023844  0.16610880  1
  O  O133  1  0.45489426  -0.00023940  0.33388386  1
