# generated using pymatgen
data_Co3Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34282160
_cell_length_b   9.69049289
_cell_length_c   13.61947486
_cell_angle_alpha   103.47616244
_cell_angle_beta   90.00003788
_cell_angle_gamma   90.00011317
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Ni2H32C12(NO2)6
_chemical_formula_sum   'Co6 Ni4 H64 C24 N12 O24'
_cell_volume   1199.11031951
_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  0.09032976  0.86986419  0.73786138  1
  Co  Co1  1  0.59033309  0.63014284  0.76215418  1
  Co  Co2  1  0.90968579  0.13011277  0.26211875  1
  Co  Co3  1  0.40968501  0.36991023  0.23789223  1
  Ni  Ni4  1  0.93294334  0.56056879  0.73257993  1
  Ni  Ni5  1  0.43293093  0.93943028  0.76741356  1
  Ni  Ni6  1  0.06706507  0.43942075  0.26741609  1
  Ni  Ni7  1  0.56705550  0.06059636  0.23257287  1
  Co  Co8  1  0.00006824  0.99990702  1.00003365  1
  Co  Co9  1  0.50013138  0.50018185  0.49992262  1
  H  H10  1  0.18996074  0.19658756  0.08814797  1
  H  H11  1  0.68992707  0.30340035  0.41184125  1
  H  H12  1  0.81001498  0.80343823  0.91187211  1
  H  H13  1  0.30998330  0.69656097  0.58811959  1
  H  H14  1  0.27224993  0.09210831  0.98797682  1
  H  H15  1  0.77227780  0.40784712  0.51199463  1
  H  H16  1  0.72775270  0.90796031  0.01206816  1
  H  H17  1  0.22777434  0.59200838  0.48791328  1
  H  H18  1  0.58398508  0.38435652  0.86612736  1
  H  H19  1  0.08398053  0.11562489  0.63386983  1
  H  H20  1  0.41599464  0.61564084  0.13386692  1
  H  H21  1  0.91599511  0.88436115  0.36613230  1
  H  H22  1  0.47423918  0.15680989  0.88490484  1
  H  H23  1  -0.02576447  0.34318207  0.61510103  1
  H  H24  1  0.52575224  0.84320599  0.11509563  1
  H  H25  1  1.02575633  0.65680467  0.38490266  1
  H  H26  1  0.75776917  0.02999872  0.85271417  1
  H  H27  1  0.25775952  0.46998662  0.64728674  1
  H  H28  1  0.24222648  0.97001117  0.14728375  1
  H  H29  1  0.74221802  0.52998941  0.35271286  1
  H  H30  1  0.91160264  0.08265982  0.79285539  1
  H  H31  1  0.41159351  0.41733087  0.70715613  1
  H  H32  1  0.08839470  0.91734565  0.20713100  1
  H  H33  1  0.58838899  0.58266302  0.29287150  1
  H  H34  1  0.20802908  0.32714730  0.96731560  1
  H  H35  1  0.70801575  0.17284357  0.53267581  1
  H  H36  1  0.79195923  0.67285804  0.03268836  1
  H  H37  1  0.29194863  0.82714815  0.46731048  1
  H  H38  1  0.17276829  0.17516718  0.87103806  1
  H  H39  1  0.67277495  0.32482615  0.62895669  1
  H  H40  1  0.82722717  0.82482523  0.12897469  1
  H  H41  1  0.32722152  0.67517898  0.37102546  1
  H  H42  1  0.58176643  0.36443671  0.04364520  1
  H  H43  1  0.08175780  0.13555158  0.45635375  1
  H  H44  1  0.41823316  0.63556254  0.95635490  1
  H  H45  1  0.91823463  0.86444316  0.54364653  1
  H  H46  1  0.73857177  0.44428784  0.01340115  1
  H  H47  1  0.23856342  0.05570468  0.48659903  1
  H  H48  1  0.26142506  0.55571032  0.98660009  1
  H  H49  1  0.76142445  0.94429266  0.51340059  1
  H  H50  1  0.80164464  0.26218885  0.10210286  1
  H  H51  1  0.30164720  0.23780616  0.39790922  1
  H  H52  1  0.19837219  0.73780017  0.89788438  1
  H  H53  1  0.69838144  0.76219960  0.60212061  1
  H  H54  1  0.69530747  0.13270354  0.02273123  1
  H  H55  1  0.19531444  0.36729782  0.47727869  1
  H  H56  1  0.30471040  0.86728333  0.97725731  1
  H  H57  1  0.80471661  0.63272084  0.52274124  1
  H  H58  1  0.81144446  0.31558671  0.79612130  1
  H  H59  1  0.31143525  0.18440309  0.70388097  1
  H  H60  1  0.18855230  0.68442047  0.20387253  1
  H  H61  1  0.68855018  0.81558332  0.29612691  1
  H  H62  1  0.68173398  0.18337726  0.74842113  1
  H  H63  1  0.18172017  0.31661004  0.75158725  1
  H  H64  1  0.31826000  0.81663390  0.25157154  1
  H  H65  1  0.81825723  0.68337060  0.24842902  1
  H  H66  1  0.97666320  0.42418202  0.10729278  1
  H  H67  1  0.47665575  0.07582497  0.39270200  1
  H  H68  1  0.02333631  0.57581810  0.89271131  1
  H  H69  1  0.52333520  0.92417671  0.60728899  1
  H  H70  1  0.96757682  0.37294260  0.92561144  1
  H  H71  1  0.46759504  0.12703581  0.57439160  1
  H  H72  1  0.03242977  0.62707939  0.07439219  1
  H  H73  1  0.53242869  0.87292280  0.42560261  1
  C  C74  1  0.82520518  0.12138931  0.84981362  1
  C  C75  1  0.32519425  0.37859552  0.65019398  1
  C  C76  1  0.17479013  0.87862175  0.15017814  1
  C  C77  1  0.67478407  0.62138130  0.34982183  1
  C  C78  1  0.14145250  0.23066387  0.94830151  1
  C  C79  1  0.64145100  0.26933550  0.55169335  1
  C  C80  1  0.85853576  0.76934070  0.05170848  1
  C  C81  1  0.35852903  0.73066821  0.44829059  1
  C  C82  1  0.67707436  0.34364912  0.99516943  1
  C  C83  1  0.17706369  0.15634253  0.50483298  1
  C  C84  1  0.32292228  0.65634821  0.00482904  1
  C  C85  1  0.82292387  0.84365605  0.49517155  1
  C  C86  1  0.76208462  0.22598012  0.02488436  1
  C  C87  1  0.26208080  0.27401318  0.47512580  1
  C  C88  1  0.23792146  0.77401452  0.97510522  1
  C  C89  1  0.73792442  0.72598985  0.52489773  1
  C  C90  1  0.73934726  0.23635005  0.81712424  1
  C  C91  1  0.23933181  0.26363878  0.68288330  1
  C  C92  1  0.26064481  0.76365838  0.18286894  1
  C  C93  1  0.76064081  0.73634547  0.31713220  1
  C  C94  1  0.99105620  0.27521659  0.95317210  1
  C  C95  1  0.49105283  0.22478006  0.54683992  1
  C  C96  1  0.00893563  0.72478559  0.04681711  1
  C  C97  1  0.50892891  0.77522505  0.45318626  1
  N  N98  1  0.88315209  0.17653801  0.95380429  1
  N  N99  1  0.38314013  0.32343316  0.54620847  1
  N  N100  1  0.11684107  0.82348429  0.04618111  1
  N  N101  1  0.61683411  0.67651367  0.45382312  1
  N  N102  1  0.17446728  0.13574489  0.01523335  1
  N  N103  1  0.67446647  0.36425445  0.48475836  1
  N  N104  1  0.82550833  0.86428004  0.98478868  1
  N  N105  1  0.32550935  0.63572187  0.51520761  1
  N  N106  1  0.63360034  0.30234516  0.89083720  1
  N  N107  1  0.13358932  0.19764290  0.60916559  1
  N  N108  1  0.36639777  0.69766014  0.10916060  1
  N  N109  1  0.86639575  0.80234330  0.39083929  1
  O  O110  1  0.05891698  0.91453023  0.87868530  1
  O  O111  1  0.55890171  0.58548223  0.62131399  1
  O  O112  1  0.94113132  0.08541157  0.12130890  1
  O  O113  1  0.44114037  0.41458594  0.37868969  1
  O  O114  1  0.00171615  1.00417028  0.69822386  1
  O  O115  1  0.50171094  0.49578599  0.80175152  1
  O  O116  1  0.99827403  -0.00415162  0.30179578  1
  O  O117  1  0.49825849  0.50415329  0.19820783  1
  O  O118  1  0.89186253  0.40876492  0.62432442  1
  O  O119  1  0.39186561  0.09122682  0.87568267  1
  O  O120  1  0.10811962  0.59121166  0.37568883  1
  O  O121  1  0.60811461  0.90879959  0.12430914  1
  O  O122  1  0.03349179  0.69576542  0.68318733  1
  O  O123  1  0.53348992  0.80425852  0.81683134  1
  O  O124  1  0.96652629  0.30419380  0.31677223  1
  O  O125  1  0.46653155  0.19585730  0.18324054  1
  O  O126  1  0.27336158  0.84918609  0.70185542  1
  O  O127  1  0.77337737  0.65082556  0.79815533  1
  O  O128  1  0.72666815  0.15076669  0.29811276  1
  O  O129  1  0.22668029  0.34926122  0.20189222  1
  O  O130  1  0.02883068  0.49272133  0.83601892  1
  O  O131  1  0.52882223  1.00727406  0.66398111  1
  O  O132  1  0.97118643  0.50726958  0.16398890  1
  O  O133  1  0.47118701  -0.00726367  0.33600532  1
