# generated using pymatgen
data_MnCo4H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35301900
_cell_length_b   9.70785369
_cell_length_c   13.65530348
_cell_angle_alpha   103.44748431
_cell_angle_beta   90.00002367
_cell_angle_gamma   90.00013274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo4H32C12(NO2)6
_chemical_formula_sum   'Mn2 Co8 H64 C24 N12 O24'
_cell_volume   1205.87775710
_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  0.09861047  0.86319919  0.73719440  1
  Co  Co1  1  0.59861479  0.63679009  0.76280394  1
  Co  Co2  1  0.90138733  0.13680100  0.26280406  1
  Co  Co3  1  0.40138270  0.36321193  0.23719793  1
  Co  Co4  1  0.94864134  0.56274099  0.72863599  1
  Co  Co5  1  0.44864513  0.93724953  0.77136401  1
  Co  Co6  1  0.05135837  0.43726162  0.27136598  1
  Co  Co7  1  0.55135273  0.06274935  0.22863406  1
  Mn  Mn8  1  -0.00000133  1.00000075  0.99999892  1
  Mn  Mn9  1  0.49999845  0.49999792  0.50000071  1
  H  H10  1  0.19020224  0.19664134  0.08896602  1
  H  H11  1  0.69019957  0.30335598  0.41103125  1
  H  H12  1  0.80979867  0.80335707  0.91103267  1
  H  H13  1  0.30980240  0.69664584  0.58897056  1
  H  H14  1  0.27248269  0.09732448  0.98733682  1
  H  H15  1  0.77248212  0.40267436  0.51265946  1
  H  H16  1  0.72751807  0.90267465  0.01266165  1
  H  H17  1  0.22751876  0.59732747  0.48734307  1
  H  H18  1  0.54825274  0.44903435  0.85254636  1
  H  H19  1  0.04824644  0.05094769  0.64744652  1
  H  H20  1  0.45174410  0.55097059  0.14745762  1
  H  H21  1  0.95175269  0.94905321  0.35255284  1
  H  H22  1  0.54040123  0.21401879  0.88481820  1
  H  H23  1  0.04039747  0.28597307  0.61518119  1
  H  H24  1  0.45959886  0.78598114  0.11517998  1
  H  H25  1  0.95960309  0.71402801  0.38481996  1
  H  H26  1  0.77552041  0.03292154  0.85235246  1
  H  H27  1  0.27551972  0.46707331  0.64764829  1
  H  H28  1  0.22447896  0.96707901  0.14764536  1
  H  H29  1  0.72448095  0.53292621  0.35235448  1
  H  H30  1  0.92522121  0.10691474  0.80565885  1
  H  H31  1  0.42521638  0.39308083  0.69434399  1
  H  H32  1  0.07477908  0.89308594  0.19433915  1
  H  H33  1  0.57478464  0.60691659  0.30565681  1
  H  H34  1  0.21451847  0.32967891  0.96552722  1
  H  H35  1  0.71451817  0.17032141  0.53447081  1
  H  H36  1  0.78548250  0.67031895  0.03446950  1
  H  H37  1  0.28548312  0.82967831  0.46552957  1
  H  H38  1  0.14901878  0.18378198  0.87407804  1
  H  H39  1  0.64902055  0.31621942  0.62591945  1
  H  H40  1  0.85097961  0.81621477  0.12592064  1
  H  H41  1  0.35098066  0.68377951  0.37408183  1
  H  H42  1  0.58020617  0.36792783  0.05014787  1
  H  H43  1  0.08020271  0.13205642  0.44984328  1
  H  H44  1  0.41979463  0.63206733  0.94984883  1
  H  H45  1  0.91979719  0.86794689  0.55015718  1
  H  H46  1  0.73373759  0.43305758  0.00007335  1
  H  H47  1  0.23374055  0.06694067  0.49992707  1
  H  H48  1  0.26626140  0.56694215  0.99992695  1
  H  H49  1  0.76625855  0.93306049  0.50007215  1
  H  H50  1  0.79468862  0.26385555  0.10506129  1
  H  H51  1  0.29468818  0.23614437  0.39493875  1
  H  H52  1  0.20531131  0.73614140  0.89493705  1
  H  H53  1  0.70531344  0.76385914  0.60506217  1
  H  H54  1  0.69201716  0.13037729  0.02560483  1
  H  H55  1  0.19201567  0.36962004  0.47439712  1
  H  H56  1  0.30798338  0.86962112  0.97439336  1
  H  H57  1  0.80798628  0.63038263  0.52560440  1
  H  H58  1  0.79881238  0.32784070  0.80950188  1
  H  H59  1  0.29881090  0.17215494  0.69049862  1
  H  H60  1  0.20118817  0.67216131  0.19049815  1
  H  H61  1  0.70118961  0.82784114  0.30949945  1
  H  H62  1  0.69268019  0.18104647  0.74916170  1
  H  H63  1  0.19267836  0.31894791  0.75083745  1
  H  H64  1  0.30732076  0.81895615  0.25083654  1
  H  H65  1  0.80732347  0.68104758  0.24916397  1
  H  H66  1  0.98216062  0.36057461  0.05526652  1
  H  H67  1  0.48215905  0.13942479  0.44473364  1
  H  H68  1  0.01783962  0.63942443  0.94473306  1
  H  H69  1  0.51784126  0.86057598  0.55526668  1
  H  H70  1  0.96806828  0.36953550  0.92428609  1
  H  H71  1  0.46806912  0.13046325  0.57571411  1
  H  H72  1  0.03193251  0.63046437  0.07571376  1
  H  H73  1  0.53193179  0.86953614  0.42428555  1
  C  C74  1  0.83423309  0.13200332  0.85683632  1
  C  C75  1  0.33423065  0.36799202  0.64316448  1
  C  C76  1  0.16576708  0.86799721  0.14316177  1
  C  C77  1  0.66577054  0.63200685  0.35683756  1
  C  C78  1  0.13882292  0.24067728  0.95301534  1
  C  C79  1  0.63882232  0.25932265  0.54698287  1
  C  C80  1  0.86117720  0.75932154  0.04698345  1
  C  C81  1  0.36117887  0.74067741  0.45301806  1
  C  C82  1  0.66855126  0.33745899  0.99498834  1
  C  C83  1  0.16855304  0.16253781  0.50501088  1
  C  C84  1  0.33144744  0.66254053  0.00501096  1
  C  C85  1  0.83144604  0.83746356  0.49498877  1
  C  C86  1  0.75779115  0.22451477  0.02796053  1
  C  C87  1  0.25778897  0.27548228  0.47203961  1
  C  C88  1  0.24220892  0.77548355  0.97203784  1
  C  C89  1  0.74221191  0.72451939  0.52796102  1
  C  C90  1  0.73638733  0.23745349  0.82204546  1
  C  C91  1  0.23638469  0.26254041  0.67795347  1
  C  C92  1  0.26361355  0.76254770  0.17795309  1
  C  C93  1  0.76361603  0.73745707  0.32204690  1
  C  C94  1  0.98917812  0.29945790  0.97589594  1
  C  C95  1  0.48917734  0.20054103  0.52410365  1
  C  C96  1  0.01082247  0.70054096  0.02410251  1
  C  C97  1  0.51082395  0.79945927  0.47589721  1
  N  N98  1  0.88243138  0.18323378  0.96175770  1
  N  N99  1  0.38242874  0.31676252  0.53824332  1
  N  N100  1  0.11756951  0.81676542  0.03824068  1
  N  N101  1  0.61757189  0.68323764  0.46175796  1
  N  N102  1  0.17626110  0.14132479  0.01526416  1
  N  N103  1  0.67625980  0.35867380  0.48473287  1
  N  N104  1  0.82373946  0.85867474  0.98473510  1
  N  N105  1  0.32374134  0.64132687  0.51526859  1
  N  N106  1  0.61995893  0.29007279  0.89153188  1
  N  N107  1  0.11995718  0.20992010  0.60846654  1
  N  N108  1  0.38004100  0.70992660  0.10846686  1
  N  N109  1  0.88004249  0.79008026  0.39153384  1
  O  O110  1  0.05577609  0.92021252  0.86836871  1
  O  O111  1  0.55579434  0.57979367  0.63162970  1
  O  O112  1  0.94422148  0.07978953  0.13162936  1
  O  O113  1  0.44420203  0.42020182  0.36837215  1
  O  O114  1  -0.00422711  0.96809421  0.66132249  1
  O  O115  1  0.49576923  0.53187412  0.83865506  1
  O  O116  1  1.00422533  0.03190759  0.33867639  1
  O  O117  1  0.50423145  0.46813602  0.16135524  1
  O  O118  1  0.91066393  0.42457224  0.63537394  1
  O  O119  1  0.41066781  0.07541726  0.86462852  1
  O  O120  1  0.08933527  0.57542698  0.36463116  1
  O  O121  1  0.58933040  0.92458474  0.13536731  1
  O  O122  1  0.04575105  0.67997782  0.67640915  1
  O  O123  1  0.54575471  0.82001261  0.82358863  1
  O  O124  1  0.95424463  0.32002364  0.32358916  1
  O  O125  1  0.45424294  0.17998919  0.17641276  1
  O  O126  1  0.29340059  0.85255574  0.71472121  1
  O  O127  1  0.79340072  0.64743473  0.78527853  1
  O  O128  1  0.70659744  0.14744096  0.28527850  1
  O  O129  1  0.20659846  0.35256743  0.21472377  1
  O  O130  1  0.04079050  0.51904986  0.82054840  1
  O  O131  1  0.54079279  0.98094406  0.67945143  1
  O  O132  1  0.95921280  0.48095691  0.17945355  1
  O  O133  1  0.45920635  0.01905045  0.32054534  1
