# generated using pymatgen
data_VFe2Co2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35665095
_cell_length_b   9.70748059
_cell_length_c   13.63938777
_cell_angle_alpha   103.48272536
_cell_angle_beta   90.00000711
_cell_angle_gamma   90.00013866
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Co2H32C12(NO2)6
_chemical_formula_sum   'V2 Fe4 Co4 H64 C24 N12 O24'
_cell_volume   1204.71624497
_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
  Co  Co0  1  0.09115595  0.85893423  0.72890327  1
  Co  Co1  1  0.59115949  0.64105703  0.77109497  1
  Co  Co2  1  0.90884327  0.14106835  0.27109709  1
  Co  Co3  1  0.40884146  0.35894449  0.22890673  1
  Fe  Fe4  1  0.93740868  0.54105021  0.72305613  1
  Fe  Fe5  1  0.43740872  0.95894167  0.77694601  1
  Fe  Fe6  1  0.06259220  0.45894992  0.27694269  1
  Fe  Fe7  1  0.56259071  0.04106013  0.22305412  1
  V  V8  1  -0.00000031  1.00000024  0.99999991  1
  V  V9  1  0.50000038  0.49999994  0.50000080  1
  H  H10  1  0.20084864  0.19959268  0.08577184  1
  H  H11  1  0.70084454  0.30040727  0.41422438  1
  H  H12  1  0.79915072  0.80040655  0.91422736  1
  H  H13  1  0.29915535  0.69959396  0.58577711  1
  H  H14  1  0.28440300  0.10104673  0.98370646  1
  H  H15  1  0.78440236  0.39895278  0.51628734  1
  H  H16  1  0.71559575  0.89895274  0.01629162  1
  H  H17  1  0.21559753  0.60104703  0.48371547  1
  H  H18  1  0.54205925  0.43991401  0.85019151  1
  H  H19  1  0.04205801  0.06007325  0.64980134  1
  H  H20  1  0.45793909  0.56009013  0.14981208  1
  H  H21  1  0.95794234  0.93992916  0.35019980  1
  H  H22  1  0.53151593  0.21507361  0.88964168  1
  H  H23  1  0.03151740  0.28491935  0.61036017  1
  H  H24  1  0.46848397  0.78492741  0.11035767  1
  H  H25  1  0.96848230  0.71507985  0.38963985  1
  H  H26  1  0.75893659  0.02527607  0.85371209  1
  H  H27  1  0.25893624  0.47471978  0.64628970  1
  H  H28  1  0.24106652  0.97472363  0.14628564  1
  H  H29  1  0.74106685  0.52527850  0.35371339  1
  H  H30  1  0.90769964  0.08630395  0.79534503  1
  H  H31  1  0.40770065  0.41369657  0.70465892  1
  H  H32  1  0.09230260  0.91369852  0.20465379  1
  H  H33  1  0.59230221  0.58629726  0.29534112  1
  H  H34  1  0.20816240  0.33088012  0.96577545  1
  H  H35  1  0.70816397  0.16912004  0.53422141  1
  H  H36  1  0.79183596  0.66912110  0.03422470  1
  H  H37  1  0.29183518  0.83087794  0.46577801  1
  H  H38  1  0.17600748  0.17805879  0.87005978  1
  H  H39  1  0.67601439  0.32194216  0.62993724  1
  H  H40  1  0.82399480  0.82194185  0.12994030  1
  H  H41  1  0.32398663  0.67805507  0.37006314  1
  H  H42  1  0.58767863  0.36745404  0.05076432  1
  H  H43  1  0.08768376  0.13253764  0.44923230  1
  H  H44  1  0.41231770  0.63254202  0.94923374  1
  H  H45  1  0.91231434  0.86746487  0.55076697  1
  H  H46  1  0.73838913  0.43155476  -0.00147059  1
  H  H47  1  0.23839317  0.06844552  0.50147366  1
  H  H48  1  0.26160803  0.56844645  1.00147330  1
  H  H49  1  0.76160502  0.93155313  0.49852288  1
  H  H50  1  0.80479079  0.26482213  0.10340917  1
  H  H51  1  0.30479198  0.23517769  0.39659240  1
  H  H52  1  0.19520824  0.73517613  0.89659030  1
  H  H53  1  0.69520780  0.76482432  0.60340765  1
  H  H54  1  0.69829342  0.13055628  0.02809467  1
  H  H55  1  0.19829497  0.36944336  0.47190730  1
  H  H56  1  0.30170576  0.86944264  0.97190432  1
  H  H57  1  0.80170514  0.63055820  0.52809378  1
  H  H58  1  0.79621882  0.31880553  0.80889930  1
  H  H59  1  0.29622174  0.18119070  0.69110120  1
  H  H60  1  0.20378175  0.68119681  0.19110291  1
  H  H61  1  0.70377872  0.81880313  0.30889472  1
  H  H62  1  0.68137410  0.17902123  0.74884533  1
  H  H63  1  0.18137660  0.32097268  0.75115626  1
  H  H64  1  0.31862783  0.82098243  0.25115338  1
  H  H65  1  0.81862653  0.67901996  0.24884457  1
  H  H66  1  0.97590571  0.42388690  0.10901015  1
  H  H67  1  0.47590774  0.07611522  0.39098663  1
  H  H68  1  0.02409501  0.57611313  0.89098881  1
  H  H69  1  0.52409221  0.92388523  0.60901310  1
  H  H70  1  0.96663595  0.37186410  0.92951726  1
  H  H71  1  0.46663926  0.12813539  0.57048425  1
  H  H72  1  0.03336350  0.62813601  0.07048337  1
  H  H73  1  0.53336051  0.87186266  0.42951360  1
  C  C74  1  0.82312166  0.11905071  0.85197093  1
  C  C75  1  0.32312315  0.38094723  0.64803150  1
  C  C76  1  0.17688004  0.88095012  0.14802803  1
  C  C77  1  0.67687862  0.61904924  0.35196935  1
  C  C78  1  0.14454417  0.23308271  0.94717769  1
  C  C79  1  0.64454635  0.26691720  0.55282027  1
  C  C80  1  0.85545531  0.76691768  0.05282176  1
  C  C81  1  0.35545362  0.73308143  0.44718019  1
  C  C82  1  0.67378443  0.33566515  0.99464612  1
  C  C83  1  0.17378640  0.16433237  0.50535443  1
  C  C84  1  0.32621426  0.66433408  0.00535386  1
  C  C85  1  0.82621288  0.83566785  0.49464454  1
  C  C86  1  0.76381701  0.22375549  0.02731253  1
  C  C87  1  0.26381852  0.27624392  0.47268924  1
  C  C88  1  0.23618210  0.77624361  0.97268691  1
  C  C89  1  0.73618119  0.72375688  0.52731095  1
  C  C90  1  0.73003500  0.23049811  0.82124715  1
  C  C91  1  0.23003715  0.26949776  0.67875397  1
  C  C92  1  0.26996580  0.76950278  0.17875256  1
  C  C93  1  0.76996386  0.73049810  0.32124540  1
  C  C94  1  0.99369258  0.27532040  0.95575766  1
  C  C95  1  0.49369459  0.22467975  0.54424394  1
  C  C96  1  0.00630719  0.72468006  0.04424299  1
  C  C97  1  0.50630562  0.77531847  0.45575449  1
  N  N98  1  0.88431611  0.17409379  0.95541159  1
  N  N99  1  0.38431785  0.32590552  0.54459086  1
  N  N100  1  0.11568354  0.82590632  0.04458818  1
  N  N101  1  0.61568237  0.67409358  0.45540929  1
  N  N102  1  0.18425011  0.13848401  0.01337512  1
  N  N103  1  0.68424909  0.36151536  0.48662161  1
  N  N104  1  0.81574909  0.86151595  0.98662413  1
  N  N105  1  0.31575101  0.63848485  0.51338015  1
  N  N106  1  0.61842805  0.28719838  0.89326132  1
  N  N107  1  0.11842980  0.21279706  0.60673941  1
  N  N108  1  0.38157214  0.71280198  0.10673812  1
  N  N109  1  0.88157027  0.78720144  0.39325988  1
  O  O110  1  0.04615022  0.92473348  0.87279519  1
  O  O111  1  0.54615692  0.57526522  0.62720399  1
  O  O112  1  0.95384950  0.07526719  0.12720495  1
  O  O113  1  0.45384392  0.42473527  0.37279787  1
  O  O114  1  -0.01453384  0.98546827  0.67176195  1
  O  O115  1  0.48546525  0.51451330  0.82822545  1
  O  O116  1  1.01453229  0.01453704  0.32824144  1
  O  O117  1  0.51453415  0.48549226  0.17177911  1
  O  O118  1  0.89805008  0.39186047  0.62202243  1
  O  O119  1  0.39805702  0.10813149  0.87798137  1
  O  O120  1  0.10195157  0.60813778  0.37797715  1
  O  O121  1  0.60193963  0.89187109  0.12201767  1
  O  O122  1  0.03867285  0.68227001  0.67560789  1
  O  O123  1  0.53867391  0.81771975  0.82439060  1
  O  O124  1  0.96131840  0.31773602  0.32439090  1
  O  O125  1  0.46132652  0.18228191  0.17560938  1
  O  O126  1  0.27881838  0.86168480  0.70509449  1
  O  O127  1  0.77881958  0.63830389  0.79491152  1
  O  O128  1  0.72118053  0.13831763  0.29490534  1
  O  O129  1  0.22118097  0.36169321  0.20508922  1
  O  O130  1  0.04296404  0.49659194  0.83372403  1
  O  O131  1  0.54296037  1.00340547  0.66627862  1
  O  O132  1  0.95704024  0.50341167  0.16627411  1
  O  O133  1  0.45703833  -0.00340469  0.33372050  1
