# generated using pymatgen
data_Cr3Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35951553
_cell_length_b   9.71969693
_cell_length_c   13.66475459
_cell_angle_alpha   103.45372922
_cell_angle_beta   90.00004108
_cell_angle_gamma   90.00017098
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Ni2H32C12(NO2)6
_chemical_formula_sum   'Cr6 Ni4 H64 C24 N12 O24'
_cell_volume   1208.99219470
_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  0.09502914  0.86322800  0.73443445  1
  Ni  Ni1  1  0.59498421  0.63678849  0.76554271  1
  Ni  Ni2  1  0.90499426  0.13679157  0.26555942  1
  Ni  Ni3  1  0.40494371  0.36325157  0.23442390  1
  Cr  Cr4  1  0.94950280  0.56160632  0.72180109  1
  Cr  Cr5  1  0.44952316  0.93839921  0.77820572  1
  Cr  Cr6  1  0.05046071  0.43839828  0.27819613  1
  Cr  Cr7  1  0.55048261  0.06163052  0.22181109  1
  Cr  Cr8  1  0.00001704  0.99992906  1.00001272  1
  Cr  Cr9  1  0.50003330  0.49995757  0.49999559  1
  H  H10  1  0.18832278  0.19584081  0.09196617  1
  H  H11  1  0.68831467  0.30410498  0.40804004  1
  H  H12  1  0.81170509  0.80408518  0.90805760  1
  H  H13  1  0.31171348  0.69586218  0.59195813  1
  H  H14  1  0.27436925  0.09699986  0.99252776  1
  H  H15  1  0.77432598  0.40298813  0.50746895  1
  H  H16  1  0.72572219  0.90300788  0.00748988  1
  H  H17  1  0.22567864  0.59698840  0.49251726  1
  H  H18  1  0.52594226  0.46482993  0.87665566  1
  H  H19  1  0.02595861  0.03517244  0.62330696  1
  H  H20  1  0.47406653  0.53518580  0.12336622  1
  H  H21  1  0.97404781  0.96485702  0.37665106  1
  H  H22  1  0.54329437  0.22275822  0.89289118  1
  H  H23  1  0.04329925  0.27722542  0.60709600  1
  H  H24  1  0.45670002  0.77725080  0.10710448  1
  H  H25  1  0.95669304  0.72276648  0.39290210  1
  H  H26  1  0.77353833  0.03443699  0.84990721  1
  H  H27  1  0.27356808  0.46555699  0.65007986  1
  H  H28  1  0.22643443  0.96557917  0.15007404  1
  H  H29  1  0.72648991  0.53442648  0.34990888  1
  H  H30  1  0.92373670  0.11163034  0.80578728  1
  H  H31  1  0.42374505  0.38835802  0.69421703  1
  H  H32  1  0.07624627  0.88839320  0.19421324  1
  H  H33  1  0.57627541  0.61158758  0.30578008  1
  H  H34  1  0.21660180  0.32899539  0.96678862  1
  H  H35  1  0.71661401  0.17095748  0.53321622  1
  H  H36  1  0.78339595  0.67093105  0.03323367  1
  H  H37  1  0.28341799  0.82901824  0.46677601  1
  H  H38  1  0.15341249  0.18122217  0.87551230  1
  H  H39  1  0.65342666  0.31870497  0.62450032  1
  H  H40  1  0.84658914  0.81867270  0.12452011  1
  H  H41  1  0.34660618  0.68124556  0.37549698  1
  H  H42  1  0.58393125  0.38889637  0.06711415  1
  H  H43  1  0.08396569  0.11113342  0.43291278  1
  H  H44  1  0.41605855  0.61111403  0.93289764  1
  H  H45  1  0.91610588  0.88888143  0.56712330  1
  H  H46  1  0.74749380  0.43323594  0.00320740  1
  H  H47  1  0.24749630  0.06674700  0.49678423  1
  H  H48  1  0.25250518  0.56676537  0.99678825  1
  H  H49  1  0.75247650  0.93322595  0.50319622  1
  H  H50  1  0.79644530  0.25992050  0.10680718  1
  H  H51  1  0.29647171  0.24006737  0.39318108  1
  H  H52  1  0.20352320  0.74005888  0.89317739  1
  H  H53  1  0.70355038  0.75993659  0.60681005  1
  H  H54  1  0.69029340  0.13091429  0.02581630  1
  H  H55  1  0.19032112  0.36907484  0.47417851  1
  H  H56  1  0.30966722  0.86909239  0.97415984  1
  H  H57  1  0.80971743  0.63092234  0.52583617  1
  H  H58  1  0.80087626  0.33481761  0.81690689  1
  H  H59  1  0.30087462  0.16518278  0.68308970  1
  H  H60  1  0.19910632  0.66520986  0.18308473  1
  H  H61  1  0.69911100  0.83479549  0.31690057  1
  H  H62  1  0.69235429  0.19308801  0.75221694  1
  H  H63  1  0.19235966  0.30691616  0.74776990  1
  H  H64  1  0.30762062  0.80694263  0.24777604  1
  H  H65  1  0.80764466  0.69308673  0.25220910  1
  H  H66  1  0.98367169  0.35682525  0.05371606  1
  H  H67  1  0.48368563  0.14312548  0.44629151  1
  H  H68  1  0.01632085  0.64311902  0.94629638  1
  H  H69  1  0.51635069  0.85682715  0.55370595  1
  H  H70  1  0.96726609  0.36450541  0.92393383  1
  H  H71  1  0.46724056  0.13545455  0.57607172  1
  H  H72  1  0.03281398  0.63544647  0.07607066  1
  H  H73  1  0.53278662  0.86450501  0.42392807  1
  C  C74  1  0.83283689  0.13366062  0.85705116  1
  C  C75  1  0.33285881  0.36633263  0.64293984  1
  C  C76  1  0.16713334  0.86635977  0.14293584  1
  C  C77  1  0.66716833  0.63363797  0.35704915  1
  C  C78  1  0.14189217  0.23920320  0.95412470  1
  C  C79  1  0.64189767  0.26074137  0.54588768  1
  C  C80  1  0.85811376  0.76071483  0.04590556  1
  C  C81  1  0.35812581  0.73922287  0.45411074  1
  C  C82  1  0.67817622  0.34059452  0.99836447  1
  C  C83  1  0.17818551  0.15939193  0.50162487  1
  C  C84  1  0.32181434  0.65941524  0.00163195  1
  C  C85  1  0.82181334  0.84059893  0.49836535  1
  C  C86  1  0.75959098  0.22317362  0.02936714  1
  C  C87  1  0.25960905  0.27680708  0.47062012  1
  C  C88  1  0.24038864  0.77682099  0.97061449  1
  C  C89  1  0.74041737  0.72317652  0.52937367  1
  C  C90  1  0.73684121  0.24367924  0.82593921  1
  C  C91  1  0.23684865  0.25632212  0.67404968  1
  C  C92  1  0.26314043  0.75634892  0.17405316  1
  C  C93  1  0.76315748  0.74366474  0.32593350  1
  C  C94  1  0.99112838  0.29534850  0.97530244  1
  C  C95  1  0.49113820  0.20460146  0.52470432  1
  C  C96  1  0.00887541  0.70458964  0.02470990  1
  C  C97  1  0.50889436  0.79535349  0.47529362  1
  N  N98  1  0.88448344  0.17798959  0.96240527  1
  N  N99  1  0.38451136  0.32198029  0.53758725  1
  N  N100  1  0.11548260  0.82199456  0.03758234  1
  N  N101  1  0.61552774  0.67797834  0.46240583  1
  N  N102  1  0.17768543  0.14109036  0.01812960  1
  N  N103  1  0.67765214  0.35886313  0.48187740  1
  N  N104  1  0.82237472  0.85883810  0.98189563  1
  N  N105  1  0.32234695  0.64111530  0.51811975  1
  N  N106  1  0.62215710  0.29781325  0.89782320  1
  N  N107  1  0.12216356  0.20217896  0.60217041  1
  N  N108  1  0.37783091  0.70220636  0.10217615  1
  N  N109  1  0.87783124  0.79781800  0.39782566  1
  O  O110  1  0.04744636  0.93410043  0.87197424  1
  O  O111  1  0.54728143  0.56624642  0.62801772  1
  O  O112  1  0.95255605  0.06625324  0.12799600  1
  O  O113  1  0.45238946  0.43409635  0.37199995  1
  O  O114  1  -0.01504083  0.94667456  0.63563886  1
  O  O115  1  0.48491874  0.55332412  0.86434377  1
  O  O116  1  1.01504951  0.05337491  0.36435851  1
  O  O117  1  0.51509985  0.44670018  0.13567703  1
  O  O118  1  0.90172978  0.42436052  0.63212155  1
  O  O119  1  0.40175411  0.07565052  0.86787834  1
  O  O120  1  0.09824895  0.57565079  0.36786054  1
  O  O121  1  0.59826588  0.92439884  0.13212437  1
  O  O122  1  0.05651183  0.66498109  0.66971947  1
  O  O123  1  0.55653249  0.83503650  0.83031191  1
  O  O124  1  0.94343993  0.33505211  0.33030546  1
  O  O125  1  0.44347617  0.16501623  0.16973304  1
  O  O126  1  0.30446269  0.84451428  0.72461420  1
  O  O127  1  0.80443918  0.65549929  0.77540018  1
  O  O128  1  0.69553283  0.15552208  0.27542766  1
  O  O129  1  0.19550989  0.34448428  0.22460988  1
  O  O130  1  0.03799401  0.50646820  0.80880448  1
  O  O131  1  0.53800596  0.99352916  0.69119467  1
  O  O132  1  0.96198249  0.49352802  0.19118417  1
  O  O133  1  0.46198404  0.00646498  0.30879974  1
