# generated using pymatgen
data_Cr5H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35334133
_cell_length_b   9.70869397
_cell_length_c   13.66844561
_cell_angle_alpha   103.34674268
_cell_angle_beta   90.00001191
_cell_angle_gamma   90.00013459
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5H32C12(NO2)6
_chemical_formula_sum   'Cr10 H64 C24 N12 O24'
_cell_volume   1207.69005476
_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  0.10151264  0.87013801  0.73381149  1
  Cr  Cr1  1  0.60151560  0.62985483  0.76618838  1
  Cr  Cr2  1  0.89848588  0.12986146  0.26618762  1
  Cr  Cr3  1  0.39848394  0.37014655  0.23381341  1
  Cr  Cr4  1  0.95543396  0.55881321  0.71998093  1
  Cr  Cr5  1  0.45543341  0.94117961  0.78002123  1
  Cr  Cr6  1  0.04456545  0.44118836  0.28002010  1
  Cr  Cr7  1  0.54456478  0.05881989  0.21997745  1
  Cr  Cr8  1  -0.00000025  0.99999950  0.99999959  1
  Cr  Cr9  1  0.50000028  0.50000002  0.50000082  1
  H  H10  1  0.19304953  0.19139673  0.08791541  1
  H  H11  1  0.69304543  0.30860115  0.41208135  1
  H  H12  1  0.80695035  0.80860314  0.91208361  1
  H  H13  1  0.30695579  0.69139991  0.58792018  1
  H  H14  1  0.27785640  0.09723703  0.98682746  1
  H  H15  1  0.77785550  0.40276151  0.51316767  1
  H  H16  1  0.72214316  0.90276315  0.01317151  1
  H  H17  1  0.22214480  0.59723881  0.48683455  1
  H  H18  1  0.57762526  0.38065334  0.86566213  1
  H  H19  1  0.07762970  0.11933740  0.63433899  1
  H  H20  1  0.42237493  0.61934885  0.13433872  1
  H  H21  1  0.92236871  0.88066248  0.36565930  1
  H  H22  1  0.54550499  0.21056259  0.88344171  1
  H  H23  1  0.04550496  0.28942750  0.61656044  1
  H  H24  1  0.45449398  0.78943921  0.11655802  1
  H  H25  1  0.95449475  0.71057287  0.38343952  1
  H  H26  1  0.77580485  0.03403949  0.84840691  1
  H  H27  1  0.27580352  0.46595676  0.65159579  1
  H  H28  1  0.22419464  0.96596108  0.15159179  1
  H  H29  1  0.72419787  0.53404241  0.34840658  1
  H  H30  1  0.92921978  0.10877338  0.80507497  1
  H  H31  1  0.42921969  0.39122405  0.69492653  1
  H  H32  1  0.07077906  0.89122750  0.19492324  1
  H  H33  1  0.57078083  0.60877290  0.30507538  1
  H  H34  1  0.21556163  0.33125490  0.96712552  1
  H  H35  1  0.71556196  0.16874503  0.53287267  1
  H  H36  1  0.78443914  0.66874455  0.03287271  1
  H  H37  1  0.28443937  0.83125445  0.46712845  1
  H  H38  1  0.15172947  0.18598072  0.87372637  1
  H  H39  1  0.65173257  0.31402004  0.62627140  1
  H  H40  1  0.84827012  0.81401827  0.12627244  1
  H  H41  1  0.34826829  0.68597915  0.37372991  1
  H  H42  1  0.57721779  0.36526326  0.04366642  1
  H  H43  1  0.07721926  0.13473099  0.45633483  1
  H  H44  1  0.42278249  0.63473576  0.95633406  1
  H  H45  1  0.92278015  0.86527226  0.54366403  1
  H  H46  1  0.73541235  0.43425249  0.00109535  1
  H  H47  1  0.23541683  0.06574392  0.49890549  1
  H  H48  1  0.26458705  0.56574723  0.99890542  1
  H  H49  1  0.76458197  0.93425699  0.50109288  1
  H  H50  1  0.79090088  0.25994931  0.10411121  1
  H  H51  1  0.29089909  0.24005062  0.39589041  1
  H  H52  1  0.20909990  0.74004959  0.89588798  1
  H  H53  1  0.70910289  0.75995136  0.60411041  1
  H  H54  1  0.68934434  0.12823011  0.02164652  1
  H  H55  1  0.18934122  0.37176651  0.47835660  1
  H  H56  1  0.31065660  0.87176927  0.97835255  1
  H  H57  1  0.81066162  0.62823577  0.52164418  1
  H  H58  1  0.80738759  0.33537889  0.81419596  1
  H  H59  1  0.30739070  0.16461744  0.68580593  1
  H  H60  1  0.19261109  0.66462192  0.18580316  1
  H  H61  1  0.69260798  0.83538007  0.31419325  1
  H  H62  1  0.70267861  0.19229463  0.74535056  1
  H  H63  1  0.20268002  0.30769950  0.75465094  1
  H  H64  1  0.29731941  0.80770623  0.25464907  1
  H  H65  1  0.79731916  0.69229701  0.24534921  1
  H  H66  1  0.98344200  0.35355823  0.05528091  1
  H  H67  1  0.48343983  0.14644100  0.44471994  1
  H  H68  1  0.01655824  0.64644195  0.94471764  1
  H  H69  1  0.51656111  0.85355934  0.55528112  1
  H  H70  1  0.96591419  0.36898708  0.92747331  1
  H  H71  1  0.46591547  0.13101254  0.57252797  1
  H  H72  1  0.03408555  0.63101297  0.07252525  1
  H  H73  1  0.53408531  0.86898649  0.42747281  1
  C  C74  1  0.83643586  0.13260086  0.85486354  1
  C  C75  1  0.33643586  0.36739616  0.64513848  1
  C  C76  1  0.16356339  0.86739977  0.14513536  1
  C  C77  1  0.66356484  0.63260266  0.35486298  1
  C  C78  1  0.14142464  0.24098346  0.95293267  1
  C  C79  1  0.64142509  0.25901636  0.54706601  1
  C  C80  1  0.85857555  0.75901682  0.04706633  1
  C  C81  1  0.35857611  0.74098292  0.45293530  1
  C  C82  1  0.67119607  0.33812623  0.99517070  1
  C  C83  1  0.17119831  0.16186923  0.50483078  1
  C  C84  1  0.32880446  0.66187379  0.00482932  1
  C  C85  1  0.82880211  0.83813204  0.49516868  1
  C  C86  1  0.75615735  0.22228757  0.02621932  1
  C  C87  1  0.25615663  0.27771019  0.47378242  1
  C  C88  1  0.24384296  0.77771137  0.97377978  1
  C  C89  1  0.74384490  0.72229136  0.52621825  1
  C  C90  1  0.74552831  0.24149388  0.81980732  1
  C  C91  1  0.24552962  0.25850125  0.68019480  1
  C  C92  1  0.25447108  0.75850724  0.18019265  1
  C  C93  1  0.75447015  0.74149643  0.31980500  1
  C  C94  1  0.99041987  0.29604072  0.97621417  1
  C  C95  1  0.49041982  0.20395868  0.52378634  1
  C  C96  1  0.00958016  0.70395954  0.02378436  1
  C  C97  1  0.50958122  0.79604093  0.47621459  1
  N  N98  1  0.88361878  0.17860101  0.96133932  1
  N  N99  1  0.38361877  0.32139848  0.53866225  1
  N  N100  1  0.11638135  0.82139881  0.03865942  1
  N  N101  1  0.61638271  0.67860174  0.46133913  1
  N  N102  1  0.18035885  0.13917315  0.01397517  1
  N  N103  1  0.68035725  0.36082538  0.48602165  1
  N  N104  1  0.81964107  0.86082683  0.98602386  1
  N  N105  1  0.31964360  0.63917517  0.51398032  1
  N  N106  1  0.62343254  0.29156317  0.88886087  1
  N  N107  1  0.12343468  0.20842880  0.61114063  1
  N  N108  1  0.37656694  0.70843751  0.11113921  1
  N  N109  1  0.87656453  0.79157138  0.38885852  1
  O  O110  1  0.05109552  0.91473707  0.86009201  1
  O  O111  1  0.55110234  0.58526205  0.63990697  1
  O  O112  1  0.94890392  0.08526162  0.13990714  1
  O  O113  1  0.44889733  0.41473806  0.36009489  1
  O  O114  1  0.03262765  0.98459445  0.66946238  1
  O  O115  1  0.53262956  0.51539520  0.83053445  1
  O  O116  1  0.96737339  0.01540642  0.33053701  1
  O  O117  1  0.46736988  0.48460663  0.16946788  1
  O  O118  1  0.92594872  0.42102589  0.62260493  1
  O  O119  1  0.42595118  0.07896365  0.87740061  1
  O  O120  1  0.07404959  0.57897246  0.37739823  1
  O  O121  1  0.57404642  0.92103852  0.12259600  1
  O  O122  1  0.04497514  0.69344460  0.67176685  1
  O  O123  1  0.54497841  0.80654723  0.82823293  1
  O  O124  1  0.95502123  0.30655567  0.32823134  1
  O  O125  1  0.45502107  0.19345432  0.17176765  1
  O  O126  1  0.29371390  0.85724887  0.71941815  1
  O  O127  1  0.79371579  0.64274166  0.78058571  1
  O  O128  1  0.70628437  0.14274815  0.28058157  1
  O  O129  1  0.20628376  0.35725960  0.21941656  1
  O  O130  1  0.05062954  0.50935008  0.80709979  1
  O  O131  1  0.55062453  0.99064758  0.69290231  1
  O  O132  1  0.94937372  0.49065515  0.19290064  1
  O  O133  1  0.44937447  0.00934995  0.30709626  1
