# generated using pymatgen
data_V2CrFe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37219515
_cell_length_b   9.73081755
_cell_length_c   13.67192358
_cell_angle_alpha   103.43485943
_cell_angle_beta   90.00000466
_cell_angle_gamma   90.00012168
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrFe2H32C12(NO2)6
_chemical_formula_sum   'V4 Cr2 Fe4 H64 C24 N12 O24'
_cell_volume   1212.74651356
_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  0.09207837  0.86225170  0.73087783  1
  V  V1  1  0.59208177  0.63774193  0.76912200  1
  V  V2  1  0.90791965  0.13774836  0.26912211  1
  V  V3  1  0.40791713  0.36225930  0.23087868  1
  Fe  Fe4  1  0.94479860  0.55042431  0.72852697  1
  Fe  Fe5  1  0.44479776  0.94956808  0.77147429  1
  Fe  Fe6  1  0.05519965  0.44957737  0.27147545  1
  Fe  Fe7  1  0.55519976  0.05043055  0.22852343  1
  Cr  Cr8  1  -0.00000003  1.00000058  0.99999987  1
  Cr  Cr9  1  0.50000084  0.49999978  0.50000021  1
  H  H10  1  0.19157572  0.19403572  0.08747991  1
  H  H11  1  0.69157496  0.30596380  0.41251890  1
  H  H12  1  0.80842564  0.80596379  0.91251983  1
  H  H13  1  0.30842798  0.69403696  0.58748193  1
  H  H14  1  0.27630696  0.09937780  0.98628097  1
  H  H15  1  0.77630710  0.40062173  0.51371651  1
  H  H16  1  0.72369301  0.90062214  0.01371797  1
  H  H17  1  0.22369369  0.59937865  0.48628542  1
  H  H18  1  0.58043197  0.37966064  0.87026408  1
  H  H19  1  0.08043486  0.12033360  0.62973697  1
  H  H20  1  0.41956804  0.62034095  0.12973667  1
  H  H21  1  0.91956449  0.87966625  0.37026188  1
  H  H22  1  0.47733461  0.17322047  0.89177597  1
  H  H23  1  -0.02266765  0.32677023  0.60822657  1
  H  H24  1  0.52266390  0.82677914  0.10822005  1
  H  H25  1  1.02266821  0.67323059  0.39177708  1
  H  H26  1  0.76341509  0.03189379  0.85144387  1
  H  H27  1  0.26341229  0.46810317  0.64855735  1
  H  H28  1  0.23658359  0.96810822  0.14855508  1
  H  H29  1  0.73659101  0.53189493  0.35144615  1
  H  H30  1  0.91590798  0.09587276  0.79951212  1
  H  H31  1  0.41590743  0.40412813  0.70049046  1
  H  H32  1  0.08409154  0.90412830  0.20048722  1
  H  H33  1  0.58409574  0.59586665  0.29951015  1
  H  H34  1  0.20713506  0.33429108  0.97156518  1
  H  H35  1  0.70713345  0.16570821  0.52843106  1
  H  H36  1  0.79286616  0.66570817  0.02843144  1
  H  H37  1  0.29286869  0.83429189  0.47157082  1
  H  H38  1  0.16332731  0.18769951  0.87316747  1
  H  H39  1  0.66333247  0.31229939  0.62683128  1
  H  H40  1  0.83667025  0.81229775  0.12683165  1
  H  H41  1  0.33666539  0.68770103  0.37316921  1
  H  H42  1  0.58518203  0.36719856  0.04496001  1
  H  H43  1  0.08518437  0.13279762  0.45504118  1
  H  H44  1  0.41481673  0.63279968  0.95503992  1
  H  H45  1  0.91481459  0.86720638  0.54495809  1
  H  H46  1  0.74325574  0.43817521  0.00698391  1
  H  H47  1  0.24325956  0.06182381  0.49301743  1
  H  H48  1  0.25674204  0.56182552  0.99301717  1
  H  H49  1  0.75673816  0.93817663  0.50698071  1
  H  H50  1  0.79866125  0.26126075  0.10306353  1
  H  H51  1  0.29866027  0.23874063  0.39693868  1
  H  H52  1  0.20133874  0.73873878  0.89693624  1
  H  H53  1  0.70134020  0.76126192  0.60306177  1
  H  H54  1  0.69294799  0.13145870  0.02303325  1
  H  H55  1  0.19294633  0.36853976  0.47696977  1
  H  H56  1  0.30705328  0.86854048  0.97696583  1
  H  H57  1  0.80705610  0.63146308  0.52303193  1
  H  H58  1  0.80929427  0.32231142  0.80322620  1
  H  H59  1  0.30929752  0.17768554  0.69677476  1
  H  H60  1  0.19070671  0.67769221  0.19677548  1
  H  H61  1  0.69070453  0.82230753  0.30322104  1
  H  H62  1  0.68871139  0.18622133  0.74849713  1
  H  H63  1  0.18871347  0.31377355  0.75150483  1
  H  H64  1  0.31129060  0.81378325  0.25150179  1
  H  H65  1  0.81129165  0.68621937  0.24849671  1
  H  H66  1  0.96245853  0.42207562  0.10271223  1
  H  H67  1  0.46246116  0.07792959  0.39728750  1
  H  H68  1  0.03753914  0.57793197  0.89729088  1
  H  H69  1  0.53753654  0.92206552  0.60270908  1
  H  H70  1  0.96227913  0.37352843  0.93040485  1
  H  H71  1  0.46228087  0.12647185  0.56959643  1
  H  H72  1  0.03772097  0.62647327  0.06959626  1
  H  H73  1  0.53771947  0.87352491  0.43040080  1
  C  C74  1  0.82759750  0.12636644  0.85256327  1
  C  C75  1  0.32759674  0.37363218  0.64743864  1
  C  C76  1  0.17240233  0.87363499  0.14743593  1
  C  C77  1  0.67240575  0.62636466  0.35256225  1
  C  C78  1  0.13995345  0.23913508  0.95238423  1
  C  C79  1  0.63995441  0.26086530  0.54761499  1
  C  C80  1  0.86004616  0.76086489  0.04761480  1
  C  C81  1  0.36004613  0.73913411  0.45238538  1
  C  C82  1  0.67780606  0.34103117  0.99481604  1
  C  C83  1  0.17780771  0.15896647  0.50518574  1
  C  C84  1  0.32219334  0.65896861  0.00518426  1
  C  C85  1  0.82219160  0.84103540  0.49481365  1
  C  C86  1  0.76024485  0.22420651  0.02593837  1
  C  C87  1  0.26024466  0.27579326  0.47406393  1
  C  C88  1  0.23975524  0.77579343  0.97406116  1
  C  C89  1  0.73975618  0.72420835  0.52593658  1
  C  C90  1  0.73973247  0.23861606  0.81967131  1
  C  C91  1  0.23973422  0.26138041  0.68033055  1
  C  C92  1  0.26026828  0.76138681  0.18032877  1
  C  C93  1  0.76026798  0.73861530  0.31966914  1
  C  C94  1  0.99010973  0.28232151  0.96204903  1
  C  C95  1  0.49010994  0.21767952  0.53795216  1
  C  C96  1  0.00989071  0.71767982  0.03795111  1
  C  C97  1  0.50989082  0.78231853  0.46204657  1
  N  N98  1  0.88329530  0.17643512  0.95734604  1
  N  N99  1  0.38329520  0.32356546  0.54265630  1
  N  N100  1  0.11670468  0.82356623  0.04265346  1
  N  N101  1  0.61670616  0.67643326  0.45734399  1
  N  N102  1  0.17764122  0.13842342  0.01418039  1
  N  N103  1  0.67764124  0.36157664  0.48581817  1
  N  N104  1  0.82235955  0.86157747  0.98581923  1
  N  N105  1  0.32236062  0.63842346  0.51418275  1
  N  N106  1  0.62894885  0.29590609  0.89181317  1
  N  N107  1  0.12895081  0.20408925  0.60818865  1
  N  N108  1  0.37105107  0.70409489  0.10818672  1
  N  N109  1  0.87105001  0.79591117  0.39181139  1
  O  O110  1  0.05201702  0.90930310  0.86044347  1
  O  O111  1  0.55202420  0.59069460  0.63955572  1
  O  O112  1  0.94798247  0.09069739  0.13955668  1
  O  O113  1  0.44797700  0.40930567  0.36044453  1
  O  O114  1  0.01334242  0.97665263  0.67209464  1
  O  O115  1  0.51334084  0.52333997  0.82790223  1
  O  O116  1  0.98665843  0.02334939  0.32790539  1
  O  O117  1  0.48665803  0.47666149  0.17209893  1
  O  O118  1  0.90047010  0.39964342  0.61968027  1
  O  O119  1  0.40047168  0.10034782  0.88032201  1
  O  O120  1  0.09952766  0.60035519  0.38032445  1
  O  O121  1  0.59952532  0.89965346  0.11967365  1
  O  O122  1  0.03428493  0.69117129  0.67365361  1
  O  O123  1  0.53428940  0.80882242  0.82634606  1
  O  O124  1  0.96570905  0.30883042  0.32634619  1
  O  O125  1  0.46570854  0.19117859  0.17365398  1
  O  O126  1  0.27747921  0.85734641  0.70842051  1
  O  O127  1  0.77748134  0.64264494  0.79158343  1
  O  O128  1  0.72251903  0.14264904  0.29157899  1
  O  O129  1  0.22251682  0.35735723  0.20841851  1
  O  O130  1  0.04743124  0.50343530  0.83522580  1
  O  O131  1  0.54742641  0.99656062  0.66477555  1
  O  O132  1  0.95256767  0.49657111  0.16477849  1
  O  O133  1  0.45257061  0.00343515  0.33522069  1
