# generated using pymatgen
data_Mn2Ni3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35248272
_cell_length_b   9.71229557
_cell_length_c   13.65606998
_cell_angle_alpha   103.45808272
_cell_angle_beta   90.00002719
_cell_angle_gamma   90.00006469
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Ni3H32C12(NO2)6
_chemical_formula_sum   'Mn4 Ni6 H64 C24 N12 O24'
_cell_volume   1206.37467365
_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  0.09459504  0.85046242  0.73727904  1
  Ni  Ni1  1  0.59459474  0.64956873  0.76273490  1
  Ni  Ni2  1  0.90537173  0.14969000  0.26276471  1
  Ni  Ni3  1  0.40538084  0.35034341  0.23725301  1
  Mn  Mn4  1  0.94861265  0.55432459  0.72607441  1
  Mn  Mn5  1  0.44860790  0.94568930  0.77394187  1
  Mn  Mn6  1  0.05139153  0.44583923  0.27397958  1
  Mn  Mn7  1  0.55139304  0.05419737  0.22604157  1
  Ni  Ni8  1  -0.00002572  0.99999223  0.99999936  1
  Ni  Ni9  1  0.50002977  0.50006392  0.49999454  1
  H  H10  1  0.18639335  0.19853770  0.09502341  1
  H  H11  1  0.68638059  0.30149638  0.40498507  1
  H  H12  1  0.81371830  0.80151296  0.90509782  1
  H  H13  1  0.31374336  0.69851313  0.59491650  1
  H  H14  1  0.27599573  0.09856445  0.99764883  1
  H  H15  1  0.77596739  0.40145295  0.50236918  1
  H  H16  1  0.72414812  0.90140089  0.00249715  1
  H  H17  1  0.22416277  0.59858666  0.49753433  1
  H  H18  1  0.53681950  0.46613835  0.88017797  1
  H  H19  1  0.03684112  0.03384545  0.61982549  1
  H  H20  1  0.46317538  0.53393631  0.11982943  1
  H  H21  1  0.96316864  0.96607838  0.38015766  1
  H  H22  1  0.53968835  0.22322728  0.89322623  1
  H  H23  1  0.03967547  0.27676023  0.60676812  1
  H  H24  1  0.46032863  0.77672720  0.10669544  1
  H  H25  1  0.96033831  0.72328558  0.39328018  1
  H  H26  1  0.77314503  0.03550112  0.85125808  1
  H  H27  1  0.27312588  0.46446249  0.64873731  1
  H  H28  1  0.22696532  0.96442327  0.14879490  1
  H  H29  1  0.72698860  0.53556830  0.35119622  1
  H  H30  1  0.92299283  0.10989084  0.80552728  1
  H  H31  1  0.42297454  0.39008959  0.69448217  1
  H  H32  1  0.07702687  0.89005368  0.19448217  1
  H  H33  1  0.57703220  0.60994902  0.30552003  1
  H  H34  1  0.21606609  0.32521070  0.96391899  1
  H  H35  1  0.71607417  0.17475167  0.53602634  1
  H  H36  1  0.78402347  0.67443428  0.03588058  1
  H  H37  1  0.28403465  0.82551353  0.46407067  1
  H  H38  1  0.15097869  0.17205382  0.87763142  1
  H  H39  1  0.65100370  0.32787331  0.62236154  1
  H  H40  1  0.84884679  0.82742423  0.12245533  1
  H  H41  1  0.34887007  0.67249353  0.37754121  1
  H  H42  1  0.56938122  0.39561242  0.07932541  1
  H  H43  1  0.06939355  0.10440088  0.42070150  1
  H  H44  1  0.43053981  0.60445156  0.92063473  1
  H  H45  1  0.93055850  0.89555266  0.57933652  1
  H  H46  1  0.74061408  0.43679426  0.00601141  1
  H  H47  1  0.24059930  0.06320160  0.49397567  1
  H  H48  1  0.25927024  0.56330277  0.99392305  1
  H  H49  1  0.75927178  0.93670509  0.50606575  1
  H  H50  1  0.79916976  0.26119094  0.10652738  1
  H  H51  1  0.29916510  0.23880985  0.39347308  1
  H  H52  1  0.20080903  0.73877161  0.89347204  1
  H  H53  1  0.70082699  0.76120370  0.60652261  1
  H  H54  1  0.69192116  0.13181573  0.02757372  1
  H  H55  1  0.19192649  0.36818601  0.47243399  1
  H  H56  1  0.30799318  0.86829741  0.97239245  1
  H  H57  1  0.80802236  0.63171221  0.52760561  1
  H  H58  1  0.79661077  0.33453496  0.81483396  1
  H  H59  1  0.29658824  0.16543971  0.68516253  1
  H  H60  1  0.20345359  0.66537024  0.18513478  1
  H  H61  1  0.70343100  0.83461920  0.31485455  1
  H  H62  1  0.68754843  0.19129500  0.75294636  1
  H  H63  1  0.18751246  0.30866745  0.74704161  1
  H  H64  1  0.31257829  0.80854685  0.24699109  1
  H  H65  1  0.81257489  0.69144437  0.25300111  1
  H  H66  1  0.98457700  0.35651294  0.05450191  1
  H  H67  1  0.48455081  0.14340378  0.44550233  1
  H  H68  1  0.01557494  0.64318767  0.94557073  1
  H  H69  1  0.51556444  0.85677121  0.55442072  1
  H  H70  1  0.97104742  0.36427840  0.92405660  1
  H  H71  1  0.47105066  0.13573323  0.57596714  1
  H  H72  1  0.02911465  0.63574788  0.07606467  1
  H  H73  1  0.52911460  0.86423394  0.42393385  1
  C  C74  1  0.83268267  0.13420241  0.85726578  1
  C  C75  1  0.33267453  0.36576744  0.64273266  1
  C  C76  1  0.16734440  0.86574957  0.14273553  1
  C  C77  1  0.66735978  0.63423861  0.35725755  1
  C  C78  1  0.14159028  0.23541609  0.95496820  1
  C  C79  1  0.64158980  0.26454550  0.54501483  1
  C  C80  1  0.85845607  0.76430200  0.04504301  1
  C  C81  1  0.35846624  0.73565213  0.45494219  1
  C  C82  1  0.67871969  0.33879790  0.99798181  1
  C  C83  1  0.17870372  0.16119609  0.50200569  1
  C  C84  1  0.32124329  0.66124221  0.00194744  1
  C  C85  1  0.82124236  0.83876062  0.49803280  1
  C  C86  1  0.76073888  0.22380634  0.02955980  1
  C  C87  1  0.26074276  0.27619550  0.47044349  1
  C  C88  1  0.23923801  0.77626770  0.97044066  1
  C  C89  1  0.73925589  0.72373159  0.52955322  1
  C  C90  1  0.73488735  0.24289727  0.82552025  1
  C  C91  1  0.23486792  0.25707617  0.67447280  1
  C  C92  1  0.26515621  0.75701207  0.17443948  1
  C  C93  1  0.76514855  0.74298434  0.32554856  1
  C  C94  1  0.99152810  0.29456685  0.97591324  1
  C  C95  1  0.49152307  0.20539876  0.52407647  1
  C  C96  1  0.00855600  0.70527708  0.02409132  1
  C  C97  1  0.50855911  0.79469172  0.47589485  1
  N  N98  1  0.88416438  0.17932456  0.96204517  1
  N  N99  1  0.38416925  0.32065671  0.53795499  1
  N  N100  1  0.11579369  0.82066505  0.03795426  1
  N  N101  1  0.61581253  0.67931765  0.46203860  1
  N  N102  1  0.17894636  0.14269252  0.02131395  1
  N  N103  1  0.67892443  0.35731743  0.47869977  1
  N  N104  1  0.82118848  0.85722421  0.97883380  1
  N  N105  1  0.32119947  0.64277785  0.52118586  1
  N  N106  1  0.62149831  0.29701034  0.89903494  1
  N  N107  1  0.12147899  0.20297076  0.60095602  1
  N  N108  1  0.37852403  0.70293513  0.10089215  1
  N  N109  1  0.87851993  0.79706925  0.39909064  1
  O  O110  1  0.05183328  0.93857617  0.87059398  1
  O  O111  1  0.55187848  0.56157754  0.62939652  1
  O  O112  1  0.94743388  0.06319587  0.12913124  1
  O  O113  1  0.44742783  0.43690799  0.37087200  1
  O  O114  1  -0.00479666  0.94937778  0.63852189  1
  O  O115  1  0.49521263  0.55060886  0.86146708  1
  O  O116  1  1.00475348  0.05059779  0.36148292  1
  O  O117  1  0.50475082  0.44943060  0.13852863  1
  O  O118  1  0.90441257  0.41080068  0.63900617  1
  O  O119  1  0.40441871  0.08921231  0.86101258  1
  O  O120  1  0.09568623  0.58932442  0.36106005  1
  O  O121  1  0.59568598  0.91071487  0.13895534  1
  O  O122  1  0.05245847  0.65699994  0.66847459  1
  O  O123  1  0.55247115  0.84303494  0.83154988  1
  O  O124  1  0.94756807  0.34314983  0.33162276  1
  O  O125  1  0.44757434  0.15689508  0.16840212  1
  O  O126  1  0.30268785  0.84740871  0.72335926  1
  O  O127  1  0.80269832  0.65260190  0.77666830  1
  O  O128  1  0.69722740  0.15250167  0.27680277  1
  O  O129  1  0.19722724  0.34753428  0.22321943  1
  O  O130  1  0.03823893  0.51034385  0.81930722  1
  O  O131  1  0.53822182  0.98968548  0.68071092  1
  O  O132  1  0.96171390  0.49009631  0.18088641  1
  O  O133  1  0.46171493  0.00996994  0.31914670  1
