# generated using pymatgen
data_MnFe2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33640847
_cell_length_b   9.70481866
_cell_length_c   13.60476229
_cell_angle_alpha   103.78151603
_cell_angle_beta   90.00006762
_cell_angle_gamma   90.00015323
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe2Ni2H32C12(NO2)6
_chemical_formula_sum   'Mn2 Fe4 Ni4 H64 C24 N12 O24'
_cell_volume   1197.21431376
_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
  Fe  Fe0  1  0.09202901  0.83620124  0.73302802  1
  Fe  Fe1  1  0.59199842  0.66379952  0.76707324  1
  Fe  Fe2  1  0.90798005  0.16378052  0.26697074  1
  Fe  Fe3  1  0.40785388  0.33614912  0.23317936  1
  Ni  Ni4  1  0.92738819  0.54869078  0.73273290  1
  Ni  Ni5  1  0.42745188  0.95131196  0.76729944  1
  Ni  Ni6  1  0.07250986  0.45136401  0.26730634  1
  Ni  Ni7  1  0.57260641  0.04863984  0.23272212  1
  Mn  Mn8  1  -0.00004740  1.00000268  0.99998902  1
  Mn  Mn9  1  0.49997934  0.49997642  0.50009717  1
  H  H10  1  0.18110893  0.21036755  0.10119016  1
  H  H11  1  0.68114011  0.28956576  0.39880985  1
  H  H12  1  0.81883700  0.78952408  0.89877097  1
  H  H13  1  0.31886876  0.71042250  0.60123139  1
  H  H14  1  0.25805873  0.11892987  0.99208948  1
  H  H15  1  0.75810845  0.38103418  0.50791251  1
  H  H16  1  0.74191519  0.88103228  0.00788600  1
  H  H17  1  0.24196545  0.61893158  0.49211189  1
  H  H18  1  0.53421174  0.46679022  0.86833958  1
  H  H19  1  0.03410122  0.03349601  0.63170815  1
  H  H20  1  0.46592327  0.53378728  0.13177235  1
  H  H21  1  0.96590377  0.96660079  0.36828991  1
  H  H22  1  0.50485608  0.23563995  0.89356233  1
  H  H23  1  0.00481547  0.26415574  0.60622326  1
  H  H24  1  0.49519776  0.76399334  0.10605217  1
  H  H25  1  0.99517819  0.73584583  0.39373132  1
  H  H26  1  0.72647442  0.02787451  0.85935454  1
  H  H27  1  0.22641676  0.47195853  0.64054746  1
  H  H28  1  0.27363866  0.97183861  0.14045303  1
  H  H29  1  0.77358940  0.52801279  0.35944627  1
  H  H30  1  0.87186368  0.07736781  0.79116455  1
  H  H31  1  0.37168923  0.42245515  0.70885538  1
  H  H32  1  0.12841173  0.92233666  0.20882406  1
  H  H33  1  0.62824748  0.57755405  0.29122177  1
  H  H34  1  0.19383898  0.33616520  0.96365310  1
  H  H35  1  0.69388051  0.16382905  0.53638370  1
  H  H36  1  0.80610463  0.66382748  0.03635876  1
  H  H37  1  0.30614873  0.83615990  0.46368221  1
  H  H38  1  0.27925796  0.13687268  0.84306701  1
  H  H39  1  0.77915754  0.36318228  0.65689345  1
  H  H40  1  0.72089094  0.86319522  0.15687232  1
  H  H41  1  0.22078232  0.63690337  0.34308166  1
  H  H42  1  0.56876321  0.39411004  0.07464637  1
  H  H43  1  0.06874193  0.10627617  0.42589741  1
  H  H44  1  0.43125740  0.60650159  0.92622491  1
  H  H45  1  0.93127320  0.89382731  0.57418458  1
  H  H46  1  0.72547552  0.44259774  -0.00768572  1
  H  H47  1  0.22589460  0.05754778  0.50753755  1
  H  H48  1  0.27375456  0.55771285  1.00752197  1
  H  H49  1  0.77415679  0.94249335  0.49244270  1
  H  H50  1  0.80515304  0.28203792  0.09690008  1
  H  H51  1  0.30534165  0.21800436  0.40305232  1
  H  H52  1  0.19455781  0.71803728  0.90298625  1
  H  H53  1  0.69474104  0.78200552  0.59698194  1
  H  H54  1  0.69027018  0.14588330  0.03246537  1
  H  H55  1  0.19052301  0.35421789  0.46741005  1
  H  H56  1  0.30937946  0.85421349  0.96732636  1
  H  H57  1  0.80957550  0.64583652  0.53259349  1
  H  H58  1  0.76705227  0.31007978  0.79785217  1
  H  H59  1  0.26685817  0.18969605  0.70199049  1
  H  H60  1  0.23324477  0.68955347  0.20187751  1
  H  H61  1  0.73307596  0.81025446  0.29799467  1
  H  H62  1  0.63960035  0.17322568  0.74935872  1
  H  H63  1  0.13931353  0.32655145  0.75046205  1
  H  H64  1  0.36085714  0.82640274  0.25036166  1
  H  H65  1  0.86060563  0.67341723  0.24950390  1
  H  H66  1  0.97102498  0.45694175  0.10400657  1
  H  H67  1  0.47104782  0.04302964  0.39596816  1
  H  H68  1  0.02890323  0.54304274  0.89596967  1
  H  H69  1  0.52895379  0.95693411  0.60401889  1
  H  H70  1  0.96633851  0.35038081  0.88995820  1
  H  H71  1  0.46632463  0.14954993  0.61004446  1
  H  H72  1  0.03364666  0.64956016  0.11004165  1
  H  H73  1  0.53363635  0.85038599  0.38996514  1
  C  C74  1  0.79198270  0.11798620  0.84983067  1
  C  C75  1  0.29190424  0.38186338  0.65011972  1
  C  C76  1  0.20815871  0.88176525  0.15006748  1
  C  C77  1  0.70809959  0.61812228  0.34991233  1
  C  C78  1  0.11329112  0.25821333  0.97223774  1
  C  C79  1  0.61333334  0.24176193  0.52777715  1
  C  C80  1  0.88665813  0.74174942  0.02774622  1
  C  C81  1  0.38671175  0.75823195  0.47227329  1
  C  C82  1  0.66338446  0.34633924  0.99212214  1
  C  C83  1  0.16350808  0.15367886  0.50781597  1
  C  C84  1  0.33641470  0.65365951  0.00775524  1
  C  C85  1  0.83653645  0.84636424  0.49217545  1
  C  C86  1  0.75514707  0.23622441  0.02368330  1
  C  C87  1  0.25529005  0.26385907  0.47625077  1
  C  C88  1  0.24462574  0.76387449  0.97618373  1
  C  C89  1  0.74478155  0.73619142  0.52377117  1
  C  C90  1  0.69870493  0.22811705  0.81718011  1
  C  C91  1  0.19857126  0.27172074  0.68269628  1
  C  C92  1  0.30151273  0.77161630  0.18261855  1
  C  C93  1  0.80139505  0.72825680  0.31729094  1
  C  C94  1  0.97902867  0.26952986  0.93751461  1
  C  C95  1  0.47904897  0.23036990  0.56244709  1
  C  C96  1  0.02093117  0.73035470  0.06241676  1
  C  C97  1  0.52097436  0.76957848  0.43757053  1
  N  N98  1  0.86580461  0.17955413  0.94636344  1
  N  N99  1  0.36585105  0.32039608  0.55362908  1
  N  N100  1  0.13413426  0.82036781  0.05359969  1
  N  N101  1  0.63419467  0.67961195  0.44641432  1
  N  N102  1  0.16055792  0.15721179  0.02364157  1
  N  N103  1  0.66059702  0.34276005  0.47637298  1
  N  N104  1  0.83941094  0.84274624  0.97633814  1
  N  N105  1  0.33945515  0.65722374  0.52367616  1
  N  N106  1  0.59667090  0.29903738  0.89520789  1
  N  N107  1  0.09665773  0.20082993  0.60464367  1
  N  N108  1  0.40331678  0.70073004  0.10452763  1
  N  N109  1  0.90334170  0.79918110  0.39532408  1
  O  O110  1  0.06315288  0.92439645  0.86981610  1
  O  O111  1  0.56309293  0.57555967  0.63028767  1
  O  O112  1  0.93681847  0.07561247  0.13017063  1
  O  O113  1  0.43679178  0.42436494  0.36991038  1
  O  O114  1  -0.01092697  0.94514895  0.64347887  1
  O  O115  1  0.48923511  0.55525930  0.85681826  1
  O  O116  1  1.01093757  0.05497223  0.35658076  1
  O  O117  1  0.51104441  0.44560686  0.14384162  1
  O  O118  1  0.87013839  0.38428620  0.62863270  1
  O  O119  1  0.37016309  0.11571502  0.87139955  1
  O  O120  1  0.12985894  0.61575911  0.37139659  1
  O  O121  1  0.62986934  0.88421747  0.12862830  1
  O  O122  1  0.05518372  0.64813872  0.67415111  1
  O  O123  1  0.55534218  0.85193856  0.82582701  1
  O  O124  1  0.94471993  0.35188187  0.32584465  1
  O  O125  1  0.44491313  0.14821057  0.17412789  1
  O  O126  1  0.28389217  0.83181241  0.70073298  1
  O  O127  1  0.78387968  0.66822292  0.79932491  1
  O  O128  1  0.71613851  0.16819362  0.29932003  1
  O  O129  1  0.21608116  0.33183540  0.20073626  1
  O  O130  1  0.00497515  0.46355358  0.83975834  1
  O  O131  1  0.50499822  1.03641461  0.66023161  1
  O  O132  1  0.99500513  0.53641631  0.16021669  1
  O  O133  1  0.49502628  -0.03646355  0.33977202  1
