# generated using pymatgen
data_Mn3Co2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36308536
_cell_length_b   9.72421072
_cell_length_c   13.65781613
_cell_angle_alpha   103.52241432
_cell_angle_beta   90.00001281
_cell_angle_gamma   90.00012628
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Co2H32C12(NO2)6
_chemical_formula_sum   'Mn6 Co4 H64 C24 N12 O24'
_cell_volume   1209.05288432
_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
  Mn  Mn0  1  0.09266187  0.86065129  0.73352534  1
  Mn  Mn1  1  0.59266343  0.63934425  0.76647437  1
  Mn  Mn2  1  0.90733684  0.13934862  0.26647386  1
  Mn  Mn3  1  0.40733638  0.36065652  0.23352704  1
  Co  Co4  1  0.93780866  0.55824939  0.73190093  1
  Co  Co5  1  0.43780878  0.94174451  0.76809918  1
  Co  Co6  1  0.06219190  0.44175218  0.26810259  1
  Co  Co7  1  0.56219059  0.05825429  0.23189841  1
  Mn  Mn8  1  -0.00000009  1.00000001  0.99999929  1
  Mn  Mn9  1  0.50000065  0.50000017  0.50000076  1
  H  H10  1  0.19028162  0.19396865  0.08598903  1
  H  H11  1  0.69027903  0.30603158  0.41400707  1
  H  H12  1  0.80971923  0.80603043  0.91400874  1
  H  H13  1  0.30972316  0.69396905  0.58599492  1
  H  H14  1  0.27199203  0.09535830  0.98466180  1
  H  H15  1  0.77199083  0.40464160  0.51533158  1
  H  H16  1  0.72800874  0.90464039  0.01533446  1
  H  H17  1  0.22800993  0.59535998  0.48467184  1
  H  H18  1  0.57308471  0.38301154  0.86842147  1
  H  H19  1  0.07308642  0.11698490  0.63157848  1
  H  H20  1  0.42691556  0.61698965  0.13157891  1
  H  H21  1  0.92691394  0.88301486  0.36842082  1
  H  H22  1  0.47542242  0.16100860  0.88223494  1
  H  H23  1  -0.02457751  0.33898558  0.61776688  1
  H  H24  1  0.52457500  0.83899141  0.11776371  1
  H  H25  1  1.02457615  0.66101470  0.38223519  1
  H  H26  1  0.75834952  0.03550673  0.85276450  1
  H  H27  1  0.25835168  0.46448979  0.64723644  1
  H  H28  1  0.24164963  0.96449257  0.14723291  1
  H  H29  1  0.74164925  0.53551052  0.35276607  1
  H  H30  1  0.90917597  0.09823819  0.79841048  1
  H  H31  1  0.40917929  0.40175880  0.70158985  1
  H  H32  1  0.09082259  0.90176184  0.20158743  1
  H  H33  1  0.59082110  0.59824020  0.29841164  1
  H  H34  1  0.20630007  0.33106381  0.96813129  1
  H  H35  1  0.70630204  0.16893553  0.53186458  1
  H  H36  1  0.79369915  0.66893438  0.03186584  1
  H  H37  1  0.29369815  0.83106523  0.46813698  1
  H  H38  1  0.16527876  0.18303109  0.87020098  1
  H  H39  1  0.66527768  0.31696523  0.62979701  1
  H  H40  1  0.83472624  0.81696400  0.12979822  1
  H  H41  1  0.33472635  0.68303735  0.37020359  1
  H  H42  1  0.57733196  0.37154676  0.04546761  1
  H  H43  1  0.07733262  0.12845201  0.45453235  1
  H  H44  1  0.42266745  0.62845171  0.95453186  1
  H  H45  1  0.92266653  0.87155133  0.54546796  1
  H  H46  1  0.73188064  0.44581366  0.00553745  1
  H  H47  1  0.23188176  0.05418543  0.49446264  1
  H  H48  1  0.26811861  0.55418632  0.99446378  1
  H  H49  1  0.76811673  0.94581530  0.50553583  1
  H  H50  1  0.79599163  0.27291743  0.10238446  1
  H  H51  1  0.29599095  0.22708334  0.39761572  1
  H  H52  1  0.20400875  0.72708024  0.89761439  1
  H  H53  1  0.70400990  0.77291926  0.60238501  1
  H  H54  1  0.69314142  0.13902413  0.02438789  1
  H  H55  1  0.19314092  0.36097511  0.47561368  1
  H  H56  1  0.30685875  0.86097443  0.97561025  1
  H  H57  1  0.80686028  0.63902720  0.52438782  1
  H  H58  1  0.80050259  0.32588559  0.80182542  1
  H  H59  1  0.30050515  0.17410981  0.69817380  1
  H  H60  1  0.19949715  0.67411522  0.19817462  1
  H  H61  1  0.69949568  0.82588801  0.30182478  1
  H  H62  1  0.68013872  0.18832208  0.74800640  1
  H  H63  1  0.18014258  0.31167354  0.75199404  1
  H  H64  1  0.31986014  0.81168017  0.25199273  1
  H  H65  1  0.81985855  0.68832316  0.24800664  1
  H  H66  1  0.98094161  0.41478819  0.10565065  1
  H  H67  1  0.48094497  0.08521945  0.39435225  1
  H  H68  1  0.01905544  0.58521945  0.89435428  1
  H  H69  1  0.51905346  0.91477605  0.60564419  1
  H  H70  1  0.96775438  0.37914133  0.92797616  1
  H  H71  1  0.46775803  0.12085881  0.57202594  1
  H  H72  1  0.03224447  0.62085981  0.07202661  1
  H  H73  1  0.53224146  0.87913947  0.42797067  1
  C  C74  1  0.82137242  0.13015969  0.85197163  1
  C  C75  1  0.32137474  0.36983718  0.64802891  1
  C  C76  1  0.17862661  0.86984008  0.14802686  1
  C  C77  1  0.67862588  0.63016246  0.35197226  1
  C  C78  1  0.13863415  0.23609464  0.94855792  1
  C  C79  1  0.63863533  0.26390350  0.55143855  1
  C  C80  1  0.86136595  0.76390260  0.05143934  1
  C  C81  1  0.36136557  0.73609794  0.44856326  1
  C  C82  1  0.66920890  0.34689725  0.99418015  1
  C  C83  1  0.16920946  0.15310126  0.50582001  1
  C  C84  1  0.33079093  0.65310215  0.00581975  1
  C  C85  1  0.83079019  0.84690040  0.49417976  1
  C  C86  1  0.75742734  0.23325129  0.02550430  1
  C  C87  1  0.25742725  0.26674815  0.47449615  1
  C  C88  1  0.24257290  0.76674742  0.97449445  1
  C  C89  1  0.74257360  0.73325365  0.52550468  1
  C  C90  1  0.73189031  0.24167773  0.81867975  1
  C  C91  1  0.23189307  0.25831822  0.68132027  1
  C  C92  1  0.26810895  0.75832304  0.18131963  1
  C  C93  1  0.76810762  0.74168038  0.31867973  1
  C  C94  1  0.98902857  0.28283650  0.95635075  1
  C  C95  1  0.48902920  0.21716266  0.54364960  1
  C  C96  1  0.01097226  0.71716205  0.04364884  1
  C  C97  1  0.51097201  0.78283818  0.45635028  1
  N  N98  1  0.87838896  0.18595951  0.95534025  1
  N  N99  1  0.37838984  0.31403919  0.54465994  1
  N  N100  1  0.12161108  0.81403943  0.04465825  1
  N  N101  1  0.62161110  0.68596170  0.45534102  1
  N  N102  1  0.17474422  0.13781876  0.01249581  1
  N  N103  1  0.67474388  0.36218133  0.48750170  1
  N  N104  1  0.82525593  0.86218056  0.98750306  1
  N  N105  1  0.32525696  0.63781912  0.51249938  1
  N  N106  1  0.62083657  0.29926413  0.89093455  1
  N  N107  1  0.12083802  0.20073310  0.60906594  1
  N  N108  1  0.37916329  0.70073651  0.10906526  1
  N  N109  1  0.87916229  0.79926714  0.39093407  1
  O  O110  1  0.05705305  0.90524861  0.86177192  1
  O  O111  1  0.55705683  0.59475081  0.63822756  1
  O  O112  1  0.94294702  0.09475183  0.13822732  1
  O  O113  1  0.44294485  0.40524899  0.36177377  1
  O  O114  1  0.01253474  0.97263000  0.67427953  1
  O  O115  1  0.51253170  0.52736413  0.82571680  1
  O  O116  1  0.98746412  0.02737093  0.32572037  1
  O  O117  1  0.48746730  0.47263722  0.17428462  1
  O  O118  1  0.89454625  0.40753428  0.62751768  1
  O  O119  1  0.39454730  0.09245836  0.87248426  1
  O  O120  1  0.10545298  0.59246659  0.37248635  1
  O  O121  1  0.60545084  0.90754102  0.12751318  1
  O  O122  1  0.03958676  0.68685224  0.67833153  1
  O  O123  1  0.53959135  0.81314370  0.82166839  1
  O  O124  1  0.96040916  0.31314878  0.32166828  1
  O  O125  1  0.46040715  0.18685702  0.17833155  1
  O  O126  1  0.27629515  0.84495132  0.70689331  1
  O  O127  1  0.77629595  0.65504022  0.79310933  1
  O  O128  1  0.72370302  0.15504708  0.29310551  1
  O  O129  1  0.22370305  0.34496114  0.20689315  1
  O  O130  1  0.03469906  0.50410112  0.83722812  1
  O  O131  1  0.53469398  0.99589487  0.66277072  1
  O  O132  1  0.96530199  0.49590645  0.16277708  1
  O  O133  1  0.46530427  0.00410118  0.33722564  1
