# generated using pymatgen
data_Ni3H27C36N4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.82288308
_cell_length_b   17.82295929
_cell_length_c   26.53305861
_cell_angle_alpha   90.00010788
_cell_angle_beta   90.00054513
_cell_angle_gamma   120.00019643
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H27C36N4O9
_chemical_formula_sum   'Ni12 H108 C144 N16 O36'
_cell_volume   7299.19324343
_cell_formula_units_Z   4
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  0.12657778  0.00033555  0.53740452  1
  Ni  Ni1  1  0.99966277  0.12623572  0.53740897  1
  Ni  Ni2  1  0.87375815  0.87341693  0.53740582  1
  Ni  Ni3  1  0.87376773  0.00034056  0.03741257  1
  Ni  Ni4  1  0.99965971  0.87342541  0.03741387  1
  Ni  Ni5  1  0.12656900  0.12623458  0.03741522  1
  Ni  Ni6  1  0.00033851  0.12657252  0.96258488  1
  Ni  Ni7  1  0.12624003  0.99966649  0.96258942  1
  Ni  Ni8  1  0.87342243  0.87376705  0.96258861  1
  Ni  Ni9  1  0.00033581  0.87375594  0.46258796  1
  Ni  Ni10  1  0.87342321  0.99966104  0.46258364  1
  Ni  Ni11  1  0.12624061  0.12657592  0.46258409  1
  H  H12  1  0.00094994  0.85087194  0.55614490  1
  H  H13  1  0.14913365  0.15007534  0.55613819  1
  H  H14  1  0.84991985  0.99903930  0.55613933  1
  H  H15  1  0.00094681  0.15007331  0.05613898  1
  H  H16  1  0.84992840  0.85087709  0.05614570  1
  H  H17  1  0.14910818  0.99903301  0.05614851  1
  H  H18  1  0.85087902  0.00094574  0.94385382  1
  H  H19  1  0.15008274  0.14911486  0.94385725  1
  H  H20  1  0.99905047  0.84992884  0.94385107  1
  H  H21  1  0.15007326  0.00094497  0.44384749  1
  H  H22  1  0.85087683  0.84992141  0.44384696  1
  H  H23  1  0.99904911  0.14912432  0.44385113  1
  H  H24  1  0.11044631  0.70782708  0.44654716  1
  H  H25  1  0.29217950  0.40262186  0.44655168  1
  H  H26  1  0.59737113  0.88954961  0.44654322  1
  H  H27  1  0.88972329  0.29260712  0.94667124  1
  H  H28  1  0.70739293  0.59711167  0.94666841  1
  H  H29  1  0.40287671  0.11028367  0.94667737  1
  H  H30  1  0.70783525  0.11044843  0.05345506  1
  H  H31  1  0.40263339  0.29218112  0.05346520  1
  H  H32  1  0.88954487  0.59739074  0.05345908  1
  H  H33  1  0.29260172  0.88971542  0.55333103  1
  H  H34  1  0.59711689  0.70739938  0.55332699  1
  H  H35  1  0.11028151  0.40288837  0.55332980  1
  H  H36  1  0.88955902  0.29217489  0.55344383  1
  H  H37  1  0.70782799  0.59737692  0.55344551  1
  H  H38  1  0.40261409  0.11044409  0.55344347  1
  H  H39  1  0.11028810  0.70739856  0.05334393  1
  H  H40  1  0.29260447  0.40288613  0.05334286  1
  H  H41  1  0.59710836  0.88971575  0.05334727  1
  H  H42  1  0.29216484  0.88954622  0.94655341  1
  H  H43  1  0.59739370  0.70783710  0.94656409  1
  H  H44  1  0.11044341  0.40261462  0.94655889  1
  H  H45  1  0.70738844  0.11027783  0.44666494  1
  H  H46  1  0.40289634  0.29261066  0.44666153  1
  H  H47  1  0.88971026  0.59710830  0.44665999  1
  H  H48  1  0.18972985  0.62548932  0.44714814  1
  H  H49  1  0.37450804  0.56424030  0.44714842  1
  H  H50  1  0.43575260  0.81025781  0.44714341  1
  H  H51  1  0.81006502  0.37456401  0.94723134  1
  H  H52  1  0.62544272  0.43549105  0.94722661  1
  H  H53  1  0.56449235  0.18992154  0.94724073  1
  H  H54  1  0.62549827  0.18972976  0.05285297  1
  H  H55  1  0.56425184  0.37449531  0.05286821  1
  H  H56  1  0.81027473  0.43577443  0.05285840  1
  H  H57  1  0.37456126  0.81005367  0.55277567  1
  H  H58  1  0.43549961  0.62543410  0.55276961  1
  H  H59  1  0.18993623  0.56450186  0.55276978  1
  H  H60  1  0.81026375  0.37449950  0.55285189  1
  H  H61  1  0.62550129  0.43575697  0.55285575  1
  H  H62  1  0.56423606  0.18972593  0.55284854  1
  H  H63  1  0.18994109  0.62543729  0.05277960  1
  H  H64  1  0.37457280  0.56449924  0.05277379  1
  H  H65  1  0.43549160  0.81004582  0.05278764  1
  H  H66  1  0.37449207  0.81025390  0.94714519  1
  H  H67  1  0.43577391  0.62548598  0.94716531  1
  H  H68  1  0.18973995  0.56423262  0.94715081  1
  H  H69  1  0.62542383  0.18992663  0.44723084  1
  H  H70  1  0.56451399  0.37456521  0.44722590  1
  H  H71  1  0.81005862  0.43548685  0.44722589  1
  H  H72  1  0.08479041  0.86504479  0.62018046  1
  H  H73  1  0.13495430  0.21973272  0.62018624  1
  H  H74  1  0.78025838  0.91521749  0.62018059  1
  H  H75  1  0.91471124  0.13434172  0.11995973  1
  H  H76  1  0.86566290  0.78037251  0.11996000  1
  H  H77  1  0.21962891  0.08530447  0.11995565  1
  H  H78  1  0.86503931  0.08479698  0.87981022  1
  H  H79  1  0.21975432  0.13497089  0.87980723  1
  H  H80  1  0.91519740  0.78024281  0.87981099  1
  H  H81  1  0.13433784  0.91470594  0.38004498  1
  H  H82  1  0.78036921  0.86566485  0.38003792  1
  H  H83  1  0.08529616  0.21963073  0.38004197  1
  H  H84  1  0.91521971  0.13496344  0.37981125  1
  H  H85  1  0.86503902  0.78025142  0.37981520  1
  H  H86  1  0.21974171  0.08477886  0.37980868  1
  H  H87  1  0.08530219  0.86567526  0.88003611  1
  H  H88  1  0.13433385  0.21963925  0.88003989  1
  H  H89  1  0.78035841  0.91469788  0.88003514  1
  H  H90  1  0.13496190  0.91521958  0.12019121  1
  H  H91  1  0.78025370  0.86504618  0.12018502  1
  H  H92  1  0.08478162  0.21974951  0.12018846  1
  H  H93  1  0.86565998  0.08529081  0.61995543  1
  H  H94  1  0.21962974  0.13434319  0.61995079  1
  H  H95  1  0.91471533  0.78037682  0.61995572  1
  H  H96  1  0.08579739  0.85929821  0.71271282  1
  H  H97  1  0.14070531  0.22649141  0.71271817  1
  H  H98  1  0.77349644  0.91420651  0.71271227  1
  H  H99  1  0.91386096  0.14053162  0.21252617  1
  H  H100  1  0.85947180  0.77332823  0.21252646  1
  H  H101  1  0.22667685  0.08615420  0.21252275  1
  H  H102  1  0.85928602  0.08579537  0.78727892  1
  H  H103  1  0.22650342  0.14071951  0.78727693  1
  H  H104  1  0.91419146  0.77348321  0.78728011  1
  H  H105  1  0.14052807  0.91385878  0.28747787  1
  H  H106  1  0.77333306  0.85947482  0.28747137  1
  H  H107  1  0.08613936  0.22667023  0.28747527  1
  H  H108  1  0.91421350  0.14071388  0.28728020  1
  H  H109  1  0.85928960  0.77349722  0.28728277  1
  H  H110  1  0.22648976  0.08578234  0.28727682  1
  H  H111  1  0.08614677  0.85948396  0.78746997  1
  H  H112  1  0.14052498  0.22667965  0.78747261  1
  H  H113  1  0.77331932  0.91384757  0.78746879  1
  H  H114  1  0.14071058  0.91421243  0.21272206  1
  H  H115  1  0.77349513  0.85929291  0.21271608  1
  H  H116  1  0.08579096  0.22650628  0.21272017  1
  H  H117  1  0.85946769  0.08614078  0.71252226  1
  H  H118  1  0.22666998  0.14053555  0.71251778  1
  H  H119  1  0.91385968  0.77333292  0.71252194  1
  C  C120  1  0.14821799  0.85291641  0.49986912  1
  C  C121  1  0.14708549  0.29529713  0.49987353  1
  C  C122  1  0.70469954  0.85178097  0.49986857  1
  C  C123  1  0.85292830  0.14822084  0.00013241  1
  C  C124  1  0.85177207  0.70470715  0.00013542  1
  C  C125  1  0.29529638  0.14708960  0.00013068  1
  C  C126  1  0.85177929  0.14707564  0.50012145  1
  C  C127  1  0.85291508  0.70469525  0.50012016  1
  C  C128  1  0.29530293  0.14821670  0.50011834  1
  C  C129  1  0.14708142  0.85178435  0.99988182  1
  C  C130  1  0.14821468  0.29529389  0.99988459  1
  C  C131  1  0.70470767  0.85294194  0.99987279  1
  C  C132  1  0.19669920  0.80380752  0.49989674  1
  C  C133  1  0.19619250  0.39288755  0.49989934  1
  C  C134  1  0.60710975  0.80330347  0.49989535  1
  C  C135  1  0.80381687  0.19670064  0.00010488  1
  C  C136  1  0.80329545  0.60711550  0.00010701  1
  C  C137  1  0.39288889  0.19619630  0.00010926  1
  C  C138  1  0.80330001  0.19618615  0.50009655  1
  C  C139  1  0.80380713  0.60710519  0.50009523  1
  C  C140  1  0.39289240  0.19670146  0.50009514  1
  C  C141  1  0.19619014  0.80330134  0.99990747  1
  C  C142  1  0.19669713  0.39288514  0.99990834  1
  C  C143  1  0.60711603  0.80382017  0.99990821  1
  C  C144  1  0.16819555  0.72961363  0.46994072  1
  C  C145  1  0.27038808  0.43858049  0.46994384  1
  C  C146  1  0.56141471  0.83180266  0.46993840  1
  C  C147  1  0.83200688  0.27073762  0.97008178  1
  C  C148  1  0.72926368  0.56126661  0.97008118  1
  C  C149  1  0.43873114  0.16800063  0.97008813  1
  C  C150  1  0.72962348  0.16819663  0.03006103  1
  C  C151  1  0.43858455  0.27038620  0.03006918  1
  C  C152  1  0.83180034  0.56142688  0.03006423  1
  C  C153  1  0.27073529  0.83199921  0.52992131  1
  C  C154  1  0.56126620  0.72926579  0.52991829  1
  C  C155  1  0.16799936  0.43873497  0.52992004  1
  C  C156  1  0.83180545  0.27038119  0.53005288  1
  C  C157  1  0.72961546  0.56141422  0.53005374  1
  C  C158  1  0.43857879  0.16819471  0.53005273  1
  C  C159  1  0.16800142  0.72926541  0.02993022  1
  C  C160  1  0.27073715  0.43873173  0.02993011  1
  C  C161  1  0.56126490  0.83200169  0.02993457  1
  C  C162  1  0.27037814  0.83179956  0.96994777  1
  C  C163  1  0.56142926  0.72962202  0.96995538  1
  C  C164  1  0.16819444  0.43857371  0.96995058  1
  C  C165  1  0.72925763  0.16799314  0.47007625  1
  C  C166  1  0.43874192  0.27074118  0.47007382  1
  C  C167  1  0.83199708  0.56125837  0.47007334  1
  C  C168  1  0.21170897  0.68300237  0.47068836  1
  C  C169  1  0.31699675  0.52870626  0.47068927  1
  C  C170  1  0.47128955  0.78828365  0.47068682  1
  C  C171  1  0.78826937  0.31712755  0.97081295  1
  C  C172  1  0.68287770  0.47114015  0.97080980  1
  C  C173  1  0.52885826  0.21172799  0.97081822  1
  C  C174  1  0.68301113  0.21171046  0.02931351  1
  C  C175  1  0.52871186  0.31698943  0.02932315  1
  C  C176  1  0.78828897  0.47130198  0.02931484  1
  C  C177  1  0.31712510  0.78826236  0.52919211  1
  C  C178  1  0.47113878  0.68287294  0.52918872  1
  C  C179  1  0.21173540  0.52886121  0.52918833  1
  C  C180  1  0.78828844  0.31698893  0.52930882  1
  C  C181  1  0.68301109  0.47129114  0.52931051  1
  C  C182  1  0.52870589  0.21170774  0.52930907  1
  C  C183  1  0.21173598  0.68287300  0.02919774  1
  C  C184  1  0.31713159  0.52885901  0.02919576  1
  C  C185  1  0.47113674  0.78825844  0.02920308  1
  C  C186  1  0.31698356  0.78827995  0.97069256  1
  C  C187  1  0.47130281  0.68300368  0.97070251  1
  C  C188  1  0.21171393  0.52870010  0.97069496  1
  C  C189  1  0.68286502  0.21172825  0.47080958  1
  C  C190  1  0.52886868  0.31712862  0.47080769  1
  C  C191  1  0.78826488  0.47113342  0.47080694  1
  C  C192  1  0.28707818  0.71295136  0.49991337  1
  C  C193  1  0.28704565  0.57412499  0.49991253  1
  C  C194  1  0.42587241  0.71291805  0.49991197  1
  C  C195  1  0.71295760  0.28708010  0.00009025  1
  C  C196  1  0.71292264  0.42587623  0.00008966  1
  C  C197  1  0.57412786  0.28704186  0.00009374  1
  C  C198  1  0.71291866  0.28704062  0.50008594  1
  C  C199  1  0.71295684  0.42586985  0.50008614  1
  C  C200  1  0.57412825  0.28707789  0.50008687  1
  C  C201  1  0.28704514  0.71291780  0.99991838  1
  C  C202  1  0.28708330  0.57412350  0.99991889  1
  C  C203  1  0.42587605  0.71295010  0.99992222  1
  C  C204  1  0.15361437  0.99993898  0.72215341  1
  C  C205  1  0.00006381  0.15367481  0.72215845  1
  C  C206  1  0.84631686  0.84638690  0.72215566  1
  C  C207  1  0.84632231  0.99993421  0.22215872  1
  C  C208  1  0.00006873  0.84639164  0.22216264  1
  C  C209  1  0.15360815  0.15368117  0.22215951  1
  C  C210  1  0.99992814  0.15361049  0.77783749  1
  C  C211  1  0.15368308  0.00007831  0.77783425  1
  C  C212  1  0.84638240  0.84631504  0.77783583  1
  C  C213  1  0.99993075  0.84632112  0.27784283  1
  C  C214  1  0.84639222  0.00007165  0.27783800  1
  C  C215  1  0.15367445  0.15360989  0.27783845  1
  C  C216  1  0.11327342  0.92501581  0.64190701  1
  C  C217  1  0.07498539  0.18825027  0.64191251  1
  C  C218  1  0.81174228  0.88673162  0.64190799  1
  C  C219  1  0.88640881  0.07453732  0.14182265  1
  C  C220  1  0.92546856  0.81187557  0.14182376  1
  C  C221  1  0.18812574  0.11360261  0.14182063  1
  C  C222  1  0.92500827  0.11327540  0.85808390  1
  C  C223  1  0.18826624  0.07500092  0.85808197  1
  C  C224  1  0.88671756  0.81173287  0.85808389  1
  C  C225  1  0.07453266  0.88640313  0.35818061  1
  C  C226  1  0.81187363  0.92547065  0.35817512  1
  C  C227  1  0.11359621  0.18812629  0.35817727  1
  C  C228  1  0.88673509  0.07499293  0.35808416  1
  C  C229  1  0.92500883  0.81173907  0.35808801  1
  C  C230  1  0.18825524  0.11326368  0.35808275  1
  C  C231  1  0.11360494  0.92548003  0.85817419  1
  C  C232  1  0.07452970  0.18813480  0.85817567  1
  C  C233  1  0.81186275  0.88639622  0.85817356  1
  C  C234  1  0.07499066  0.88673570  0.14191677  1
  C  C235  1  0.81174211  0.92501581  0.14191254  1
  C  C236  1  0.11326391  0.18826287  0.14191477  1
  C  C237  1  0.92546366  0.11359125  0.64181935  1
  C  C238  1  0.18813023  0.07453796  0.64181503  1
  C  C239  1  0.88640780  0.81187481  0.64181753  1
  C  C240  1  0.11482476  0.92233268  0.69419848  1
  C  C241  1  0.07767001  0.19248726  0.69420392  1
  C  C242  1  0.80750377  0.88517786  0.69419942  1
  C  C243  1  0.88494906  0.07743710  0.19409897  1
  C  C244  1  0.92256819  0.80751561  0.19410003  1
  C  C245  1  0.19248677  0.11506009  0.19409668  1
  C  C246  1  0.92232163  0.11482155  0.80579255  1
  C  C247  1  0.19249906  0.07768582  0.80578926  1
  C  C248  1  0.88516799  0.80749675  0.80579221  1
  C  C249  1  0.07743181  0.88494614  0.30590487  1
  C  C250  1  0.80751688  0.92257091  0.30589917  1
  C  C251  1  0.11505160  0.19248475  0.30590089  1
  C  C252  1  0.88518390  0.07767803  0.30579255  1
  C  C253  1  0.92232493  0.80750456  0.30579677  1
  C  C254  1  0.19248810  0.11481501  0.30579128  1
  C  C255  1  0.11505987  0.92258010  0.80589710  1
  C  C256  1  0.07742936  0.19249050  0.80589975  1
  C  C257  1  0.80750604  0.88493874  0.80589710  1
  C  C258  1  0.07767602  0.88518397  0.19420904  1
  C  C259  1  0.80750431  0.92232922  0.19420368  1
  C  C260  1  0.11481718  0.19249862  0.19420585  1
  C  C261  1  0.92256349  0.11505061  0.69409569  1
  C  C262  1  0.19248755  0.07743797  0.69409094  1
  C  C263  1  0.88494590  0.80751465  0.69409401  1
  N  N264  1  0.14552735  0.99973666  0.61607189  1
  N  N265  1  0.00026467  0.14578400  0.61607625  1
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  N  N274  1  0.85447858  0.00027198  0.38391849  1
  N  N275  1  0.14579258  0.14552022  0.38391869  1
  N  N276  1  0.33333186  0.66666433  0.49989352  1
  N  N277  1  0.66666887  0.33333361  0.00010989  1
  N  N278  1  0.66666897  0.33332910  0.50010808  1
  N  N279  1  0.33333440  0.66666498  0.99989779  1
  O  O280  1  0.00028129  0.89885061  0.53900202  1
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  O  O294  1  0.74193170  0.83326709  0.53460684  1
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  O  O309  1  0.74203944  0.83472940  0.96501209  1
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  O  O313  1  0.90733689  0.16529802  0.53497863  1
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  O  O315  1  0.83467986  0.74202736  0.53496984  1
