# generated using pymatgen
data_Cr2Ni3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35612199
_cell_length_b   9.71909170
_cell_length_c   13.66844777
_cell_angle_alpha   103.45938138
_cell_angle_beta   89.99996189
_cell_angle_gamma   90.00009531
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Ni3H32C12(NO2)6
_chemical_formula_sum   'Cr4 Ni6 H64 C24 N12 O24'
_cell_volume   1208.77667190
_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  0.09063478  0.85953219  0.73778613  1
  Ni  Ni1  1  0.59054820  0.64047485  0.76224980  1
  Ni  Ni2  1  0.90939442  0.14051570  0.26223399  1
  Ni  Ni3  1  0.40937704  0.35956144  0.23777836  1
  Cr  Cr4  1  0.94680681  0.55726956  0.72542310  1
  Cr  Cr5  1  0.44682996  0.94274166  0.77457573  1
  Cr  Cr6  1  0.05317172  0.44273320  0.27456639  1
  Cr  Cr7  1  0.55317723  0.05729314  0.22543629  1
  Ni  Ni8  1  -0.00023061  1.00030252  0.99990636  1
  Ni  Ni9  1  0.50034567  0.50031162  0.49987067  1
  H  H10  1  0.18475141  0.19597840  0.09247805  1
  H  H11  1  0.68482158  0.30405075  0.40743466  1
  H  H12  1  0.81516449  0.80410346  0.90743476  1
  H  H13  1  0.31526835  0.69594963  0.59248780  1
  H  H14  1  0.27594452  0.09852384  0.99491606  1
  H  H15  1  0.77605778  0.40151291  0.50498346  1
  H  H16  1  0.72393647  0.90151283  0.00502129  1
  H  H17  1  0.22408820  0.59848159  0.49489211  1
  H  H18  1  0.53890683  0.47025380  0.88174764  1
  H  H19  1  0.03892017  0.02976389  0.61834338  1
  H  H20  1  0.46117513  0.52966844  0.11832638  1
  H  H21  1  0.96101686  0.97021179  0.38171956  1
  H  H22  1  0.54145297  0.22628242  0.89465701  1
  H  H23  1  0.04145859  0.27370356  0.60538743  1
  H  H24  1  0.45855810  0.77368681  0.10536389  1
  H  H25  1  0.95853166  0.72628331  0.39462937  1
  H  H26  1  0.77331522  0.03632552  0.84889460  1
  H  H27  1  0.27323098  0.46355462  0.65106696  1
  H  H28  1  0.22679277  0.96356810  0.15106552  1
  H  H29  1  0.72668076  0.53629296  0.34886569  1
  H  H30  1  0.92126503  0.11406552  0.80363720  1
  H  H31  1  0.42121830  0.38603681  0.69639845  1
  H  H32  1  0.07880118  0.88603530  0.19637241  1
  H  H33  1  0.57872651  0.61405121  0.30362734  1
  H  H34  1  0.21572354  0.32788275  0.96557197  1
  H  H35  1  0.71580533  0.17234311  0.53444089  1
  H  H36  1  0.78421467  0.67241485  0.03447786  1
  H  H37  1  0.28428582  0.82782720  0.46553669  1
  H  H38  1  0.15354907  0.17744816  0.87576671  1
  H  H39  1  0.65350110  0.32282571  0.62415337  1
  H  H40  1  0.84657518  0.82292435  0.12413605  1
  H  H41  1  0.34648810  0.67736992  0.37577217  1
  H  H42  1  0.57529226  0.38839417  0.07062373  1
  H  H43  1  0.07513841  0.11154872  0.42942351  1
  H  H44  1  0.42481468  0.61156897  0.92944832  1
  H  H45  1  0.92479966  0.88842846  0.57067160  1
  H  H46  1  0.74424653  0.43618561  0.00795332  1
  H  H47  1  0.24415524  0.06378107  0.49204244  1
  H  H48  1  0.25583498  0.56378194  0.99202471  1
  H  H49  1  0.75572748  0.93614926  0.50793389  1
  H  H50  1  0.80127927  0.25599215  0.10535779  1
  H  H51  1  0.30138353  0.24414407  0.39470679  1
  H  H52  1  0.19863673  0.74414209  0.89469066  1
  H  H53  1  0.69872109  0.75593484  0.60534543  1
  H  H54  1  0.69237225  0.13055234  0.02508941  1
  H  H55  1  0.19245217  0.36947727  0.47496247  1
  H  H56  1  0.30761006  0.86945231  0.97495488  1
  H  H57  1  0.80767465  0.63052630  0.52506957  1
  H  H58  1  0.79690448  0.33727969  0.81578536  1
  H  H59  1  0.29692070  0.16270631  0.68424907  1
  H  H60  1  0.20309184  0.66269779  0.18423216  1
  H  H61  1  0.70308937  0.83726689  0.31577584  1
  H  H62  1  0.68566860  0.19638710  0.75387850  1
  H  H63  1  0.18564711  0.30359258  0.74615019  1
  H  H64  1  0.31438284  0.80358158  0.24613368  1
  H  H65  1  0.81432444  0.69638125  0.25386396  1
  H  H66  1  0.98384557  0.35511008  0.05264372  1
  H  H67  1  0.48394301  0.14497727  0.44733288  1
  H  H68  1  0.01606440  0.64500401  0.94732335  1
  H  H69  1  0.51616884  0.85507103  0.55263229  1
  H  H70  1  0.97066876  0.36498242  0.92313004  1
  H  H71  1  0.47090302  0.13493442  0.57682711  1
  H  H72  1  0.02912059  0.63496349  0.07681912  1
  H  H73  1  0.52934310  0.86495329  0.42312081  1
  C  C74  1  0.83123966  0.13623078  0.85584698  1
  C  C75  1  0.33123429  0.36369758  0.64414235  1
  C  C76  1  0.16879815  0.86370275  0.14413190  1
  C  C77  1  0.66877346  0.63620767  0.35582724  1
  C  C78  1  0.14198700  0.23722966  0.95396302  1
  C  C79  1  0.64201175  0.26295296  0.54599304  1
  C  C80  1  0.85802281  0.76301671  0.04599825  1
  C  C81  1  0.35803090  0.73718107  0.45395423  1
  C  C82  1  0.67778203  0.34090688  1.00019031  1
  C  C83  1  0.17769025  0.15905099  0.49982345  1
  C  C84  1  0.32230756  0.65904682  -0.00017946  1
  C  C85  1  0.82223524  0.84090491  0.50019797  1
  C  C86  1  0.76117056  0.22297844  0.02873183  1
  C  C87  1  0.26115980  0.27699465  0.47131542  1
  C  C88  1  0.23886689  0.77699295  0.97129584  1
  C  C89  1  0.73886437  0.72295211  0.52871980  1
  C  C90  1  0.73381559  0.24638709  0.82630719  1
  C  C91  1  0.23380099  0.25357134  0.67372584  1
  C  C92  1  0.26621684  0.75356600  0.17371398  1
  C  C93  1  0.76617606  0.74637933  0.32629463  1
  C  C94  1  0.99130353  0.29440375  0.97418715  1
  C  C95  1  0.49134895  0.20562707  0.52579572  1
  C  C96  1  0.00867487  0.70565493  0.02578398  1
  C  C97  1  0.50871566  0.79437135  0.47417767  1
  N  N98  1  0.88337230  0.17983744  0.96010499  1
  N  N99  1  0.38332437  0.32003111  0.53993618  1
  N  N100  1  0.11670648  0.82005404  0.03992107  1
  N  N101  1  0.61666746  0.67982416  0.46008870  1
  N  N102  1  0.17870395  0.14189951  0.01838948  1
  N  N103  1  0.67877476  0.35818584  0.48148765  1
  N  N104  1  0.82123690  0.85817674  0.98144956  1
  N  N105  1  0.32131582  0.64189505  0.51841058  1
  N  N106  1  0.62155582  0.30057583  0.90009860  1
  N  N107  1  0.12148549  0.19940728  0.59994115  1
  N  N108  1  0.37852509  0.69938495  0.09992854  1
  N  N109  1  0.87845115  0.80055220  0.40009122  1
  O  O110  1  0.05173812  0.91486916  0.87297040  1
  O  O111  1  0.55137010  0.58430901  0.62716674  1
  O  O112  1  0.94825034  0.08380131  0.12715914  1
  O  O113  1  0.44788969  0.41526336  0.37299970  1
  O  O114  1  0.00071903  0.94028871  0.63130919  1
  O  O115  1  0.50086125  0.55983948  0.86884930  1
  O  O116  1  0.99911122  0.05982668  0.36882100  1
  O  O117  1  0.49930664  0.44023290  0.13127096  1
  O  O118  1  0.90090450  0.41797886  0.63707290  1
  O  O119  1  0.40091642  0.08203769  0.86289552  1
  O  O120  1  0.09905830  0.58205791  0.36289387  1
  O  O121  1  0.59909257  0.91801784  0.13708034  1
  O  O122  1  0.05022962  0.66192500  0.67184037  1
  O  O123  1  0.55023228  0.83806273  0.82817535  1
  O  O124  1  0.94978234  0.33803987  0.32817244  1
  O  O125  1  0.44974441  0.16195806  0.17187759  1
  O  O126  1  0.30085455  0.85315499  0.71970850  1
  O  O127  1  0.80082620  0.64687854  0.78027429  1
  O  O128  1  0.69912958  0.14695016  0.28031244  1
  O  O129  1  0.19914278  0.35314965  0.21970526  1
  O  O130  1  0.03891870  0.50412672  0.81184294  1
  O  O131  1  0.53899942  0.99584155  0.68817138  1
  O  O132  1  0.96099941  0.49581551  0.18816440  1
  O  O133  1  0.46106238  0.00413256  0.31184909  1
