# generated using pymatgen
data_MnCo2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34981975
_cell_length_b   9.70629733
_cell_length_c   13.62443683
_cell_angle_alpha   103.55794394
_cell_angle_beta   90.00002217
_cell_angle_gamma   90.00013308
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo2Ni2H32C12(NO2)6
_chemical_formula_sum   'Mn2 Co4 Ni4 H64 C24 N12 O24'
_cell_volume   1201.99102655
_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  0.08472810  0.86334291  0.73628878  1
  Co  Co1  1  0.58473293  0.63665079  0.76370601  1
  Co  Co2  1  0.91524778  0.13668244  0.26369395  1
  Co  Co3  1  0.41525022  0.36333155  0.23631363  1
  Ni  Ni4  1  0.92696155  0.55934338  0.73100233  1
  Ni  Ni5  1  0.42696219  0.94064772  0.76900393  1
  Ni  Ni6  1  0.07304039  0.44066742  0.26900598  1
  Ni  Ni7  1  0.57303626  0.05934330  0.23098777  1
  Mn  Mn8  1  -0.00012037  1.00011518  0.99996158  1
  Mn  Mn9  1  0.49988717  0.49989022  0.50004089  1
  H  H10  1  0.19047818  0.19589955  0.08722239  1
  H  H11  1  0.69047452  0.30410170  0.41277780  1
  H  H12  1  0.80956646  0.80405865  0.91279493  1
  H  H13  1  0.30956700  0.69593936  0.58720788  1
  H  H14  1  0.27215225  0.09528686  0.98460090  1
  H  H15  1  0.77215553  0.40470879  0.51539808  1
  H  H16  1  0.72783733  0.90461644  0.01539988  1
  H  H17  1  0.22784306  0.59537404  0.48460454  1
  H  H18  1  0.57288317  0.38556975  0.86579987  1
  H  H19  1  0.07288223  0.11442481  0.63419455  1
  H  H20  1  0.42713088  0.61442494  0.13420002  1
  H  H21  1  0.92712612  0.88558038  0.36580302  1
  H  H22  1  0.46497132  0.16302897  0.88535873  1
  H  H23  1  -0.03503228  0.33696366  0.61464639  1
  H  H24  1  0.53502735  0.83697054  0.11463539  1
  H  H25  1  1.03503235  0.66304033  0.38535750  1
  H  H26  1  0.74625858  0.03684771  0.85408464  1
  H  H27  1  0.24625788  0.46314750  0.64591892  1
  H  H28  1  0.25373606  0.96313809  0.14588890  1
  H  H29  1  0.75373725  0.53686533  0.35410450  1
  H  H30  1  0.89808702  0.08055076  0.78834142  1
  H  H31  1  0.39808904  0.41944819  0.71166462  1
  H  H32  1  0.10190928  0.91943315  0.21164846  1
  H  H33  1  0.60190826  0.58056440  0.28834369  1
  H  H34  1  0.20608827  0.32847419  0.96787380  1
  H  H35  1  0.70608845  0.17152455  0.53212637  1
  H  H36  1  0.79393829  0.67150906  0.03215943  1
  H  H37  1  0.29393630  0.82849026  0.46784522  1
  H  H38  1  0.16838110  0.17820509  0.87038730  1
  H  H39  1  0.66838087  0.32179399  0.62961346  1
  H  H40  1  0.83167851  0.82178755  0.12963848  1
  H  H41  1  0.33166828  0.67821274  0.37036392  1
  H  H42  1  0.58077903  0.36951138  0.04531737  1
  H  H43  1  0.08077841  0.13048309  0.45468365  1
  H  H44  1  0.41923205  0.63048126  0.95468108  1
  H  H45  1  0.91922972  0.86952378  0.54531746  1
  H  H46  1  0.73447464  0.44625722  0.00648756  1
  H  H47  1  0.23447906  0.05374462  0.49351580  1
  H  H48  1  0.26553878  0.55374395  0.99350905  1
  H  H49  1  0.76553224  0.94625491  0.50648637  1
  H  H50  1  0.80262989  0.26677590  0.09782032  1
  H  H51  1  0.30263200  0.23322650  0.40218048  1
  H  H52  1  0.19737579  0.73322423  0.90218045  1
  H  H53  1  0.69737224  0.76677392  0.59781746  1
  H  H54  1  0.69453494  0.13684711  0.02091727  1
  H  H55  1  0.19453562  0.36315356  0.47908457  1
  H  H56  1  0.30546599  0.86314965  0.97909192  1
  H  H57  1  0.80546341  0.63685006  0.52090586  1
  H  H58  1  0.79883997  0.32026042  0.79426614  1
  H  H59  1  0.29884068  0.17973292  0.70573151  1
  H  H60  1  0.20117925  0.67974776  0.20574129  1
  H  H61  1  0.70117370  0.82025842  0.29426112  1
  H  H62  1  0.67060114  0.18599234  0.74603388  1
  H  H63  1  0.17060326  0.31399905  0.75396795  1
  H  H64  1  0.32941140  0.81401496  0.25396319  1
  H  H65  1  0.82940472  0.68599346  0.24603365  1
  H  H66  1  0.97125410  0.42889555  0.11154562  1
  H  H67  1  0.47125491  0.07110392  0.38845160  1
  H  H68  1  0.02874074  0.57108975  0.88846158  1
  H  H69  1  0.52873875  0.92890517  0.61154233  1
  H  H70  1  0.97052749  0.37524901  0.92168920  1
  H  H71  1  0.47052856  0.12475034  0.57831182  1
  H  H72  1  0.02950512  0.62472279  0.07829774  1
  H  H73  1  0.52950287  0.87527460  0.42169720  1
  C  C74  1  0.81560689  0.12478000  0.84652312  1
  C  C75  1  0.31560687  0.37521584  0.65347975  1
  C  C76  1  0.18439920  0.87520643  0.15346685  1
  C  C77  1  0.68439790  0.62479558  0.34652903  1
  C  C78  1  0.13874940  0.23295879  0.94826306  1
  C  C79  1  0.63874976  0.26704021  0.55173736  1
  C  C80  1  0.86128888  0.76701595  0.05176132  1
  C  C81  1  0.36128584  0.73298288  0.44824016  1
  C  C82  1  0.67183740  0.34650282  0.99250378  1
  C  C83  1  0.17183957  0.15349698  0.50749549  1
  C  C84  1  0.32817368  0.65349816  0.00749261  1
  C  C85  1  0.82816929  0.84650270  0.49250682  1
  C  C86  1  0.76015380  0.23028024  0.02146910  1
  C  C87  1  0.26015610  0.26972109  0.47853185  1
  C  C88  1  0.23984646  0.76971919  0.97853626  1
  C  C89  1  0.73984258  0.73027989  0.52146195  1
  C  C90  1  0.72833375  0.23935910  0.81458412  1
  C  C91  1  0.22833282  0.26063494  0.68541566  1
  C  C92  1  0.27168453  0.76064360  0.18541338  1
  C  C93  1  0.77168150  0.73936202  0.31458589  1
  C  C94  1  0.98833745  0.27713936  0.94982584  1
  C  C95  1  0.48833771  0.22286085  0.55017615  1
  C  C96  1  0.01169588  0.72285922  0.05018667  1
  C  C97  1  0.51169329  0.77713892  0.44980946  1
  N  N98  1  0.87826518  0.18180790  0.94840395  1
  N  N99  1  0.37826599  0.31819221  0.55160010  1
  N  N100  1  0.12174566  0.81816523  0.05160387  1
  N  N101  1  0.62174261  0.68183177  0.44839195  1
  N  N102  1  0.17401983  0.13705114  0.01389324  1
  N  N103  1  0.67402067  0.36294885  0.48610779  1
  N  N104  1  0.82600323  0.86290246  0.98612909  1
  N  N105  1  0.32600595  0.63709553  0.51387386  1
  N  N106  1  0.62245443  0.30289089  0.88929432  1
  N  N107  1  0.12245365  0.19710705  0.61070391  1
  N  N108  1  0.37756350  0.69710459  0.11070326  1
  N  N109  1  0.87756080  0.80289776  0.38929711  1
  O  O110  1  0.05899359  0.90165333  0.87149985  1
  O  O111  1  0.55902719  0.59837426  0.62849559  1
  O  O112  1  0.94079707  0.09853407  0.12845284  1
  O  O113  1  0.44079275  0.40145873  0.37155048  1
  O  O114  1  -0.00770381  0.99044410  0.69083232  1
  O  O115  1  0.49229143  0.50952975  0.80913988  1
  O  O116  1  1.00770297  0.00954058  0.30910835  1
  O  O117  1  0.50771242  0.49048607  0.19091292  1
  O  O118  1  0.88442546  0.40487295  0.62388328  1
  O  O119  1  0.38442843  0.09512026  0.87612183  1
  O  O120  1  0.11557491  0.59513119  0.37612383  1
  O  O121  1  0.61557155  0.90487781  0.12386902  1
  O  O122  1  0.02830901  0.68939070  0.67800127  1
  O  O123  1  0.52830276  0.81059126  0.82200075  1
  O  O124  1  0.97169377  0.31062310  0.32200820  1
  O  O125  1  0.47170368  0.18940472  0.17799342  1
  O  O126  1  0.26885541  0.85009179  0.70146873  1
  O  O127  1  0.76885258  0.64990175  0.79853691  1
  O  O128  1  0.73113211  0.14989649  0.29853770  1
  O  O129  1  0.23114200  0.35011009  0.20146253  1
  O  O130  1  0.02543766  0.48790179  0.83185397  1
  O  O131  1  0.52542964  1.01209282  0.66814938  1
  O  O132  1  0.97454338  0.51208534  0.16815463  1
  O  O133  1  0.47455052  -0.01208291  0.33184125  1
