# generated using pymatgen
data_MnNi4H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.42398009
_cell_length_b   9.74709132
_cell_length_c   13.72629323
_cell_angle_alpha   103.95591379
_cell_angle_beta   90.00210582
_cell_angle_gamma   90.00051955
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNi4H32C12(NO2)6
_chemical_formula_sum   'Mn2 Ni8 H64 C24 N12 O24'
_cell_volume   1223.62957798
_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
  Ni  Ni0  1  0.12382792  0.82710341  0.74932750  1
  Ni  Ni1  1  0.62533456  0.67348289  0.75130471  1
  Ni  Ni2  1  0.87495821  0.17392123  0.25123689  1
  Ni  Ni3  1  0.37598400  0.32650010  0.24947786  1
  Ni  Ni4  1  0.98887220  0.55421595  0.72121274  1
  Ni  Ni5  1  0.48858815  0.94575782  0.77892486  1
  Ni  Ni6  1  0.01157255  0.44554106  0.27927216  1
  Ni  Ni7  1  0.51134671  0.05433220  0.22084701  1
  Mn  Mn8  1  -0.00033641  0.99983454  1.00037287  1
  Mn  Mn9  1  0.50066080  0.49992081  0.50026592  1
  H  H10  1  0.13200412  0.24303431  0.18666081  1
  H  H11  1  0.63107463  0.25703268  0.31448043  1
  H  H12  1  0.86899187  0.75662709  0.81486413  1
  H  H13  1  0.36718284  0.74413266  0.68608249  1
  H  H14  1  0.23872893  0.14589865  1.05008352  1
  H  H15  1  0.73886043  0.35359792  0.44973660  1
  H  H16  1  0.76149415  0.85336066  -0.05019522  1
  H  H17  1  0.26145313  0.64577477  0.54995177  1
  H  H18  1  0.58548400  0.45431528  0.85124950  1
  H  H19  1  0.08529104  0.04576854  0.64869166  1
  H  H20  1  0.41432003  0.54564934  0.14871033  1
  H  H21  1  0.91451221  0.95445003  0.35110332  1
  H  H22  1  0.45901861  0.21261059  0.88535755  1
  H  H23  1  -0.04158798  0.28809653  0.61398823  1
  H  H24  1  0.54170826  0.78798381  0.11398131  1
  H  H25  1  1.04006764  0.71257294  0.38518115  1
  H  H26  1  0.72003132  0.02667357  0.85682518  1
  H  H27  1  0.22003649  0.47343970  0.64318533  1
  H  H28  1  0.27988617  0.97352314  0.14316852  1
  H  H29  1  0.77992320  0.52665345  0.35670534  1
  H  H30  1  0.86813848  0.04970932  0.78218934  1
  H  H31  1  0.36820924  0.45036402  0.71769952  1
  H  H32  1  0.13180758  0.95057522  0.21777104  1
  H  H33  1  0.63181602  0.54965431  0.28203110  1
  H  H34  1  0.18179577  0.34377731  0.97756293  1
  H  H35  1  0.68099706  0.15499535  0.52200727  1
  H  H36  1  0.81915596  0.65467137  0.02191229  1
  H  H37  1  0.31807612  0.84357290  0.47731044  1
  H  H38  1  0.32164919  0.12567616  0.91287050  1
  H  H39  1  0.82205617  0.37565743  0.58566171  1
  H  H40  1  0.67794057  0.87555106  0.08550133  1
  H  H41  1  0.17842983  0.62655912  0.41223087  1
  H  H42  1  0.49591976  0.39328283  0.10904720  1
  H  H43  1  -0.00291790  0.10625606  0.39088207  1
  H  H44  1  0.50309700  0.60623940  0.89086007  1
  H  H45  1  1.00283010  0.89386138  0.60907531  1
  H  H46  1  0.66606325  0.44469960  0.03255213  1
  H  H47  1  0.16668324  0.05505385  0.46759602  1
  H  H48  1  0.33350245  0.55521452  0.96756854  1
  H  H49  1  0.83326337  0.94499917  0.53221858  1
  H  H50  1  0.82176799  0.27551428  0.08281960  1
  H  H51  1  0.32182753  0.22441952  0.41711583  1
  H  H52  1  0.17795480  0.72438063  0.91723291  1
  H  H53  1  0.67815987  0.77538601  0.58264931  1
  H  H54  1  0.69640098  0.15061513  0.02205604  1
  H  H55  1  0.19648846  0.34939618  0.47781847  1
  H  H56  1  0.30333737  0.84938259  0.97784807  1
  H  H57  1  0.80369866  0.65067830  0.52187571  1
  H  H58  1  0.79382834  0.27606266  0.76220578  1
  H  H59  1  0.29369094  0.22401308  0.73770705  1
  H  H60  1  0.20624996  0.72431855  0.23789106  1
  H  H61  1  0.70620024  0.77585320  0.26197159  1
  H  H62  1  0.63888422  0.17101536  0.74893083  1
  H  H63  1  0.13873222  0.32913444  0.75106313  1
  H  H64  1  0.36138099  0.82929787  0.25103409  1
  H  H65  1  0.86125341  0.67093631  0.24884630  1
  H  H66  1  0.93851982  0.47780409  0.11783333  1
  H  H67  1  0.43782101  0.02173591  0.38219207  1
  H  H68  1  0.06317850  0.52116942  0.88217601  1
  H  H69  1  0.56252443  0.97807471  0.61779546  1
  H  H70  1  0.97123947  0.33345128  0.88026873  1
  H  H71  1  0.47067189  0.16603730  0.61942747  1
  H  H72  1  0.02996829  0.66572191  0.11928443  1
  H  H73  1  0.52900176  0.83354708  0.38009775  1
  C  C74  1  0.79521643  0.10566030  0.84038265  1
  C  C75  1  0.29520772  0.39440812  0.65956472  1
  C  C76  1  0.20473360  0.89452284  0.15961658  1
  C  C77  1  0.70478772  0.60560567  0.34019951  1
  C  C78  1  0.11634185  0.24861390  0.97021379  1
  C  C79  1  0.61646075  0.25094730  0.52998293  1
  C  C80  1  0.88361119  0.75070938  0.03002308  1
  C  C81  1  0.38389477  0.74872020  0.47026484  1
  C  C82  1  0.69169285  0.34723031  0.97621146  1
  C  C83  1  0.19184617  0.15276818  0.52372314  1
  C  C84  1  0.30805099  0.65282447  0.02382762  1
  C  C85  1  0.80803849  0.84736813  0.47605894  1
  C  C86  1  0.76860490  0.23464346  0.01108779  1
  C  C87  1  0.26868395  0.26540743  0.48884903  1
  C  C88  1  0.23114384  0.76542936  0.98893830  1
  C  C89  1  0.73137737  0.73463342  0.51091860  1
  C  C90  1  0.72003363  0.22293177  0.80352504  1
  C  C91  1  0.21987679  0.27720100  0.69642737  1
  C  C92  1  0.28006483  0.77732885  0.19650846  1
  C  C93  1  0.78003545  0.72286099  0.30334490  1
  C  C94  1  0.98619774  0.25188179  0.92407036  1
  C  C95  1  0.48608760  0.24795111  0.57594694  1
  C  C96  1  0.01389523  0.74773609  0.07599812  1
  C  C97  1  0.51392225  0.75189549  0.42385632  1
  N  N98  1  0.87442349  0.16470681  0.93404009  1
  N  N99  1  0.37447926  0.33534307  0.56590769  1
  N  N100  1  0.12535811  0.83541084  0.06601416  1
  N  N101  1  0.62556284  0.66462597  0.43385417  1
  N  N102  1  0.16791008  0.13223516  -0.00907615  1
  N  N103  1  0.66885656  0.36711948  0.50940889  1
  N  N104  1  0.83131941  0.86707299  1.00955759  1
  N  N105  1  0.33244613  0.63227119  0.49091044  1
  N  N106  1  0.65329434  0.33073452  0.88388471  1
  N  N107  1  0.15323299  0.16942552  0.61608353  1
  N  N108  1  0.34645243  0.66931021  0.11615722  1
  N  N109  1  0.84662157  0.83075992  0.38368061  1
  O  O110  1  0.03254764  0.87937703  0.87392240  1
  O  O111  1  0.53535257  0.62060330  0.62632482  1
  O  O112  1  0.96546848  0.12085415  0.12641552  1
  O  O113  1  0.46746302  0.37957443  0.37391102  1
  O  O114  1  0.03249207  0.96152473  0.67005936  1
  O  O115  1  0.53278414  0.53864952  0.82986760  1
  O  O116  1  0.96713178  0.03887135  0.32984710  1
  O  O117  1  0.46704358  0.46129668  0.17006073  1
  O  O118  1  0.91060138  0.37958429  0.62589201  1
  O  O119  1  0.41212858  0.12075202  0.87492309  1
  O  O120  1  0.08655780  0.62066574  0.37592730  1
  O  O121  1  0.58934262  0.87955186  0.12567641  1
  O  O122  1  0.10693683  0.64831454  0.65338927  1
  O  O123  1  0.60715772  0.85201256  0.84677006  1
  O  O124  1  0.89230365  0.35235666  0.34703912  1
  O  O125  1  0.39330343  0.14836258  0.15289975  1
  O  O126  1  0.32701925  0.83313099  0.72620315  1
  O  O127  1  0.82815087  0.66752390  0.77505601  1
  O  O128  1  0.67193506  0.16803716  0.27450841  1
  O  O129  1  0.17259866  0.33174591  0.22710515  1
  O  O130  1  0.02529499  0.45201860  0.82489503  1
  O  O131  1  0.52420844  1.04735313  0.67482875  1
  O  O132  1  0.97666655  0.54706563  0.17495692  1
  O  O133  1  0.47515783  -0.04763564  0.32481330  1
