# generated using pymatgen
data_Cr3Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36498641
_cell_length_b   9.72820998
_cell_length_c   13.66938570
_cell_angle_alpha   103.43174463
_cell_angle_beta   90.00000382
_cell_angle_gamma   90.00012580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Ni2H32C12(NO2)6
_chemical_formula_sum   'Cr6 Ni4 H64 C24 N12 O24'
_cell_volume   1211.27982660
_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
  Cr  Cr0  1  0.09561251  0.85618329  0.73190495  1
  Cr  Cr1  1  0.59561486  0.64381180  0.76809525  1
  Cr  Cr2  1  0.90438766  0.14381286  0.26809178  1
  Cr  Cr3  1  0.40438557  0.35619212  0.23190803  1
  Ni  Ni4  1  0.94323839  0.54531476  0.72928639  1
  Ni  Ni5  1  0.44323852  0.95468024  0.77071361  1
  Ni  Ni6  1  0.05676554  0.45469105  0.27072040  1
  Ni  Ni7  1  0.55676365  0.04531551  0.22927996  1
  Cr  Cr8  1  -0.00000172  1.00000186  0.99999837  1
  Cr  Cr9  1  0.49999955  0.49999946  0.50000148  1
  H  H10  1  0.19249891  0.19110675  0.08694207  1
  H  H11  1  0.69249929  0.30889127  0.41305529  1
  H  H12  1  0.80750509  0.80888882  0.91305708  1
  H  H13  1  0.30750696  0.69111266  0.58694655  1
  H  H14  1  0.27717975  0.09880910  0.98339341  1
  H  H15  1  0.77718210  0.40119192  0.51660378  1
  H  H16  1  0.72281719  0.90119095  0.01660808  1
  H  H17  1  0.22281717  0.59880987  0.48339687  1
  H  H18  1  0.58008666  0.37683090  0.86649821  1
  H  H19  1  0.08009059  0.12316398  0.63350215  1
  H  H20  1  0.41991136  0.62316874  0.13350167  1
  H  H21  1  0.91990815  0.87683691  0.36649777  1
  H  H22  1  0.46946450  0.16574695  0.89776384  1
  H  H23  1  -0.03053847  0.33424423  0.60223743  1
  H  H24  1  0.53052930  0.83425029  0.10222474  1
  H  H25  1  1.03053265  0.66576063  0.39777213  1
  H  H26  1  0.75982597  0.03126000  0.85271353  1
  H  H27  1  0.25982952  0.46873644  0.64728701  1
  H  H28  1  0.24017179  0.96873850  0.14728456  1
  H  H29  1  0.74017125  0.53126458  0.35271532  1
  H  H30  1  0.91325346  0.09105298  0.79862833  1
  H  H31  1  0.41325924  0.40894064  0.70136992  1
  H  H32  1  0.08673800  0.90893938  0.20136459  1
  H  H33  1  0.58673668  0.59106260  0.29863561  1
  H  H34  1  0.20720753  0.33368531  0.97155096  1
  H  H35  1  0.70720367  0.16630972  0.52844352  1
  H  H36  1  0.79280239  0.66630712  0.02844355  1
  H  H37  1  0.29280474  0.83369598  0.47156142  1
  H  H38  1  0.16470940  0.18726475  0.87271201  1
  H  H39  1  0.66471445  0.31273094  0.62728534  1
  H  H40  1  0.83528943  0.81272874  0.12728662  1
  H  H41  1  0.33528606  0.68727429  0.37271658  1
  H  H42  1  0.58342437  0.36674864  0.04148436  1
  H  H43  1  0.08342515  0.13324777  0.45851584  1
  H  H44  1  0.41657498  0.63324908  0.95851380  1
  H  H45  1  0.91657378  0.86675665  0.54148538  1
  H  H46  1  0.74057557  0.43943372  0.00340770  1
  H  H47  1  0.24057783  0.06056596  0.49659264  1
  H  H48  1  0.25942219  0.56056995  0.99659205  1
  H  H49  1  0.75941866  0.93943198  0.50340641  1
  H  H50  1  0.79817900  0.26619583  0.10135775  1
  H  H51  1  0.29817610  0.23380545  0.39864209  1
  H  H52  1  0.20182752  0.73380632  0.89863935  1
  H  H53  1  0.70182942  0.76619399  0.60136038  1
  H  H54  1  0.69318266  0.13369441  0.02349707  1
  H  H55  1  0.19318026  0.36630405  0.47650455  1
  H  H56  1  0.30682664  0.86630371  0.97649834  1
  H  H57  1  0.80682873  0.63369873  0.52349941  1
  H  H58  1  0.80873303  0.31903718  0.80014291  1
  H  H59  1  0.30873855  0.18095670  0.69985619  1
  H  H60  1  0.19126000  0.68095732  0.19985370  1
  H  H61  1  0.69125780  0.81904529  0.30014500  1
  H  H62  1  0.68720439  0.18220952  0.74638682  1
  H  H63  1  0.18720986  0.31778596  0.75361265  1
  H  H64  1  0.31279115  0.81779250  0.25360747  1
  H  H65  1  0.81279038  0.68220926  0.24639213  1
  H  H66  1  0.96665291  0.42927611  0.10398584  1
  H  H67  1  0.46665617  0.07072944  0.39601587  1
  H  H68  1  0.03333961  0.57073764  0.89602702  1
  H  H69  1  0.53333872  0.92926120  0.60397248  1
  H  H70  1  0.96378772  0.37340805  0.92750222  1
  H  H71  1  0.46379150  0.12658952  0.57249690  1
  H  H72  1  0.03621569  0.62658977  0.07249654  1
  H  H73  1  0.53621309  0.87341194  0.42750343  1
  C  C74  1  0.82553454  0.12409316  0.85166176  1
  C  C75  1  0.32553710  0.37590292  0.64833793  1
  C  C76  1  0.17446343  0.87590565  0.14833425  1
  C  C77  1  0.67446313  0.62409685  0.35166527  1
  C  C78  1  0.14011028  0.23830291  0.95181873  1
  C  C79  1  0.64011079  0.26169601  0.54817852  1
  C  C80  1  0.85989351  0.76169667  0.04818014  1
  C  C81  1  0.35989347  0.73830484  0.45182282  1
  C  C82  1  0.67629456  0.34144564  0.99168898  1
  C  C83  1  0.17629533  0.15855168  0.50831135  1
  C  C84  1  0.32370566  0.65855355  0.00830961  1
  C  C85  1  0.82370444  0.84145004  0.49168939  1
  C  C86  1  0.75968560  0.22644016  0.02454360  1
  C  C87  1  0.25968442  0.27355864  0.47545670  1
  C  C88  1  0.24031916  0.77356052  0.97545308  1
  C  C89  1  0.74032021  0.72644155  0.52454596  1
  C  C90  1  0.73878096  0.23580338  0.81705106  1
  C  C91  1  0.23878537  0.26419085  0.68294843  1
  C  C92  1  0.26121377  0.76419282  0.18294538  1
  C  C93  1  0.76121229  0.73581041  0.31705375  1
  C  C94  1  0.98952836  0.28056682  0.95884132  1
  C  C95  1  0.48952910  0.21943398  0.54116279  1
  C  C96  1  0.01047533  0.71944080  0.04117113  1
  C  C97  1  0.51047508  0.78056055  0.45882867  1
  N  N98  1  0.88250644  0.17694139  0.95592587  1
  N  N99  1  0.38250649  0.32305739  0.54407429  1
  N  N100  1  0.11749612  0.82306104  0.04407137  1
  N  N101  1  0.61749647  0.67694106  0.45592804  1
  N  N102  1  0.17711693  0.13714200  0.01347576  1
  N  N103  1  0.67711875  0.36285741  0.48652153  1
  N  N104  1  0.82288183  0.86285784  0.98652316  1
  N  N105  1  0.32288259  0.63714372  0.51348015  1
  N  N106  1  0.62767008  0.29395474  0.88886032  1
  N  N107  1  0.12767287  0.20604060  0.61114018  1
  N  N108  1  0.37232681  0.70604260  0.11113780  1
  N  N109  1  0.87232541  0.79396218  0.38886119  1
  O  O110  1  0.05459127  0.90350262  0.85692740  1
  O  O111  1  0.55459678  0.59649317  0.64307229  1
  O  O112  1  0.94540823  0.09649125  0.14306787  1
  O  O113  1  0.44540253  0.40351259  0.35693280  1
  O  O114  1  0.02172636  0.96857462  0.67384670  1
  O  O115  1  0.52172560  0.53142095  0.82615282  1
  O  O116  1  0.97827511  0.03142275  0.32615140  1
  O  O117  1  0.47827472  0.46858302  0.17384952  1
  O  O118  1  0.89313734  0.40639473  0.61240213  1
  O  O119  1  0.39313862  0.09359815  0.88759964  1
  O  O120  1  0.10685223  0.59360408  0.38761371  1
  O  O121  1  0.60685244  0.90640298  0.11238628  1
  O  O122  1  0.03561609  0.69377065  0.67758812  1
  O  O123  1  0.53562086  0.80622552  0.82241104  1
  O  O124  1  0.96437905  0.30622739  0.32240955  1
  O  O125  1  0.46437536  0.19377670  0.17759102  1
  O  O126  1  0.27288695  0.84916389  0.71123468  1
  O  O127  1  0.77288874  0.65082897  0.78876873  1
  O  O128  1  0.72711334  0.15082884  0.28876373  1
  O  O129  1  0.22711225  0.34917602  0.21123335  1
  O  O130  1  0.03061938  0.48820604  0.83931525  1
  O  O131  1  0.53061474  1.01179281  0.66068303  1
  O  O132  1  0.96938338  0.51181355  0.16069857  1
  O  O133  1  0.46938355  -0.01180790  0.33930502  1
