# generated using pymatgen
data_Cr2Ni3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35790913
_cell_length_b   9.71352962
_cell_length_c   13.66873910
_cell_angle_alpha   103.36563806
_cell_angle_beta   90.00001080
_cell_angle_gamma   90.00012343
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Ni3H32C12(NO2)6
_chemical_formula_sum   'Cr4 Ni6 H64 C24 N12 O24'
_cell_volume   1208.81295789
_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  0.09969596  0.85149403  0.72657381  1
  Cr  Cr1  1  0.59969930  0.64849894  0.77342355  1
  Cr  Cr2  1  0.90030289  0.14850565  0.27342573  1
  Cr  Cr3  1  0.40030059  0.35150214  0.22657719  1
  Ni  Ni4  1  0.94444857  0.54614341  0.73038902  1
  Ni  Ni5  1  0.44444896  0.95384913  0.76961004  1
  Ni  Ni6  1  0.05555325  0.45385813  0.26961374  1
  Ni  Ni7  1  0.55555200  0.04614967  0.23038651  1
  Ni  Ni8  1  0.00000096  0.99999963  0.99999993  1
  Ni  Ni9  1  0.50000155  0.50000063  0.50000054  1
  H  H10  1  0.18831876  0.18627748  0.08619813  1
  H  H11  1  0.68831895  0.31372277  0.41380137  1
  H  H12  1  0.81168118  0.81372315  0.91380125  1
  H  H13  1  0.31168140  0.68627632  0.58619981  1
  H  H14  1  0.27464514  0.09272140  0.98399779  1
  H  H15  1  0.77464655  0.40727782  0.51600006  1
  H  H16  1  0.72535512  0.90727830  0.01600208  1
  H  H17  1  0.22535477  0.59272224  0.48400029  1
  H  H18  1  0.58595389  0.37670102  0.86625628  1
  H  H19  1  0.08595514  0.12329449  0.63374579  1
  H  H20  1  0.41404413  0.62329902  0.13374414  1
  H  H21  1  0.91404149  0.87670642  0.36625298  1
  H  H22  1  0.47244391  0.16442695  0.89342931  1
  H  H23  1  -0.02756070  0.33555995  0.60657691  1
  H  H24  1  0.52755334  0.83557150  0.10656721  1
  H  H25  1  1.02755896  0.66444105  0.39342617  1
  H  H26  1  0.76621712  0.02707148  0.85277639  1
  H  H27  1  0.26621792  0.47292513  0.64722653  1
  H  H28  1  0.23378123  0.97292943  0.14722294  1
  H  H29  1  0.73378094  0.52707377  0.35277519  1
  H  H30  1  0.91946380  0.09075444  0.80127566  1
  H  H31  1  0.41946538  0.40924356  0.69872653  1
  H  H32  1  0.08053471  0.90924689  0.19872313  1
  H  H33  1  0.58053360  0.59075503  0.30127545  1
  H  H34  1  0.20834368  0.32839373  0.97067811  1
  H  H35  1  0.70834515  0.17160585  0.52931971  1
  H  H36  1  0.79165640  0.67160644  0.02932063  1
  H  H37  1  0.29165607  0.82839472  0.47068253  1
  H  H38  1  0.16865665  0.18116395  0.87241191  1
  H  H39  1  0.66866124  0.31883351  0.62758691  1
  H  H40  1  0.83134605  0.81883507  0.12758725  1
  H  H41  1  0.33134279  0.68116828  0.37241483  1
  H  H42  1  0.58330603  0.36418378  0.04066992  1
  H  H43  1  0.08330754  0.13581234  0.45933245  1
  H  H44  1  0.41669330  0.63581548  0.95933082  1
  H  H45  1  0.91669351  0.86418964  0.54066562  1
  H  H46  1  0.74090101  0.43916100  0.00559232  1
  H  H47  1  0.24090354  0.06083704  0.49441053  1
  H  H48  1  0.25909706  0.56083920  0.99440742  1
  H  H49  1  0.75909518  0.93916409  0.50559008  1
  H  H50  1  0.79787061  0.26494536  0.10242580  1
  H  H51  1  0.29786921  0.23505436  0.39757657  1
  H  H52  1  0.20213065  0.73505506  0.89757375  1
  H  H53  1  0.70213405  0.76494623  0.60242414  1
  H  H54  1  0.69463886  0.13190588  0.02362626  1
  H  H55  1  0.19463801  0.36809235  0.47637741  1
  H  H56  1  0.30536269  0.86809399  0.97637345  1
  H  H57  1  0.80536567  0.63190872  0.52362292  1
  H  H58  1  0.81363222  0.31508727  0.79994933  1
  H  H59  1  0.31363404  0.18490825  0.70005186  1
  H  H60  1  0.18636705  0.68491525  0.20005192  1
  H  H61  1  0.68636601  0.81508642  0.29994434  1
  H  H62  1  0.69091685  0.17775619  0.74760445  1
  H  H63  1  0.19091963  0.32223928  0.75239842  1
  H  H64  1  0.30908358  0.82224706  0.25239558  1
  H  H65  1  0.80908274  0.67775518  0.24760202  1
  H  H66  1  0.96889391  0.42470843  0.10592660  1
  H  H67  1  0.46889294  0.07529372  0.39407325  1
  H  H68  1  0.03110208  0.57529426  0.89407758  1
  H  H69  1  0.53110053  0.92470431  0.60592028  1
  H  H70  1  0.96598627  0.37331813  0.93068818  1
  H  H71  1  0.46598815  0.12668070  0.56931304  1
  H  H72  1  0.03401584  0.62668231  0.06931054  1
  H  H73  1  0.53401467  0.87331822  0.43068720  1
  C  C74  1  0.83012244  0.12156409  0.85317573  1
  C  C75  1  0.33012369  0.37843288  0.64682657  1
  C  C76  1  0.16987629  0.87843650  0.14682363  1
  C  C77  1  0.66987572  0.62156657  0.35317457  1
  C  C78  1  0.14124833  0.23276097  0.95100401  1
  C  C79  1  0.64124967  0.26723801  0.54899533  1
  C  C80  1  0.85875279  0.76723856  0.04899421  1
  C  C81  1  0.35875232  0.73276310  0.45100744  1
  C  C82  1  0.67793524  0.34002701  0.99225517  1
  C  C83  1  0.17793667  0.15997014  0.50774752  1
  C  C84  1  0.32206361  0.65997301  0.00774485  1
  C  C85  1  0.82206291  0.84003090  0.49225237  1
  C  C86  1  0.76114635  0.22493725  0.02529587  1
  C  C87  1  0.26114593  0.27506128  0.47470674  1
  C  C88  1  0.23885415  0.77506317  0.97470369  1
  C  C89  1  0.73885597  0.72493944  0.52529385  1
  C  C90  1  0.74300243  0.23272568  0.81769423  1
  C  C91  1  0.24300398  0.26727038  0.68230795  1
  C  C92  1  0.25699707  0.76727604  0.18230627  1
  C  C93  1  0.75699610  0.73272674  0.31769105  1
  C  C94  1  0.99136834  0.27695222  0.95838700  1
  C  C95  1  0.49136941  0.22304699  0.54161346  1
  C  C96  1  0.00863256  0.72304590  0.04160994  1
  C  C97  1  0.50863285  0.77695518  0.45838962  1
  N  N98  1  0.88482503  0.17547051  0.95775196  1
  N  N99  1  0.38482554  0.32452788  0.54224998  1
  N  N100  1  0.11517467  0.82453060  0.04224668  1
  N  N101  1  0.61517576  0.67547183  0.45775193  1
  N  N102  1  0.17536818  0.13174926  0.01267101  1
  N  N103  1  0.67536947  0.36825143  0.48732886  1
  N  N104  1  0.82463235  0.86825128  0.98732888  1
  N  N105  1  0.32463240  0.63174847  0.51267198  1
  N  N106  1  0.63193181  0.29296053  0.88887603  1
  N  N107  1  0.13193306  0.20703595  0.61112638  1
  N  N108  1  0.36806625  0.70703929  0.11112422  1
  N  N109  1  0.86806523  0.79296521  0.38887297  1
  O  O110  1  0.05778657  0.89771730  0.84845388  1
  O  O111  1  0.55779272  0.60227852  0.65154271  1
  O  O112  1  0.94221244  0.10228158  0.15154578  1
  O  O113  1  0.44220763  0.39772202  0.34845805  1
  O  O114  1  0.02832544  0.96431881  0.66749108  1
  O  O115  1  0.52832469  0.53567426  0.83250498  1
  O  O116  1  0.97167535  0.03568393  0.33251055  1
  O  O117  1  0.47167442  0.46432667  0.16749527  1
  O  O118  1  0.89180857  0.40331784  0.61723551  1
  O  O119  1  0.39181457  0.09666735  0.88276850  1
  O  O120  1  0.10819041  0.59668377  0.38276879  1
  O  O121  1  0.60818370  0.90333039  0.11722714  1
  O  O122  1  0.03988587  0.68840683  0.67355512  1
  O  O123  1  0.53989089  0.81158614  0.82644177  1
  O  O124  1  0.96010778  0.31159490  0.32644410  1
  O  O125  1  0.46010716  0.18841456  0.17355779  1
  O  O126  1  0.27817487  0.84447076  0.70946249  1
  O  O127  1  0.77817711  0.65552179  0.79053864  1
  O  O128  1  0.72182379  0.15552581  0.29053683  1
  O  O129  1  0.22182246  0.34447943  0.20946312  1
  O  O130  1  0.03826290  0.49118912  0.83876297  1
  O  O131  1  0.53825974  1.00880720  0.66123580  1
  O  O132  1  0.96173932  0.50881537  0.16124101  1
  O  O133  1  0.46173903  -0.00881237  0.33875814  1
