# generated using pymatgen
data_Cr3Fe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35977983
_cell_length_b   9.71303877
_cell_length_c   13.67154798
_cell_angle_alpha   103.35672247
_cell_angle_beta   90.00001788
_cell_angle_gamma   90.00014048
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Fe2H32C12(NO2)6
_chemical_formula_sum   'Cr6 Fe4 H64 C24 N12 O24'
_cell_volume   1209.28664773
_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
  Fe  Fe0  1  0.10212769  0.87161733  0.73607947  1
  Fe  Fe1  1  0.60213271  0.62836998  0.76392241  1
  Fe  Fe2  1  0.89787061  0.12838237  0.26391921  1
  Fe  Fe3  1  0.39786587  0.37163174  0.23607960  1
  Cr  Cr4  1  0.95512251  0.56518146  0.71907599  1
  Cr  Cr5  1  0.45512274  0.93480768  0.78092303  1
  Cr  Cr6  1  0.04487647  0.43482115  0.28092542  1
  Cr  Cr7  1  0.54487551  0.06519126  0.21907542  1
  Cr  Cr8  1  -0.00000007  1.00000002  0.99999952  1
  Cr  Cr9  1  0.50000034  0.50000000  0.50000083  1
  H  H10  1  0.19285360  0.19380150  0.08909862  1
  H  H11  1  0.69285440  0.30619391  0.41089673  1
  H  H12  1  0.80714691  0.80619858  0.91090059  1
  H  H13  1  0.30714767  0.69380722  0.58910525  1
  H  H14  1  0.27873591  0.09840708  0.98826274  1
  H  H15  1  0.77873541  0.40159157  0.51173099  1
  H  H16  1  0.72126412  0.90159236  0.01173673  1
  H  H17  1  0.22126439  0.59841022  0.48827191  1
  H  H18  1  0.55579232  0.43824752  0.85578352  1
  H  H19  1  0.05579297  0.06173386  0.64421163  1
  H  H20  1  0.44420651  0.56175529  0.14421888  1
  H  H21  1  0.94420697  0.93826748  0.35578729  1
  H  H22  1  0.54935392  0.21584989  0.88301078  1
  H  H23  1  0.04935492  0.28414112  0.61698970  1
  H  H24  1  0.45064520  0.78415022  0.11698852  1
  H  H25  1  0.95064544  0.71586067  0.38301044  1
  H  H26  1  0.78042433  0.03186272  0.84813864  1
  H  H27  1  0.28042279  0.46813535  0.65186351  1
  H  H28  1  0.21957513  0.96813789  0.15185964  1
  H  H29  1  0.71957806  0.53186340  0.34813913  1
  H  H30  1  0.93087536  0.10930442  0.80472594  1
  H  H31  1  0.43087532  0.39069466  0.69527464  1
  H  H32  1  0.06912377  0.89069650  0.19527192  1
  H  H33  1  0.56912511  0.60930222  0.30472716  1
  H  H34  1  0.21698417  0.33042684  0.96602352  1
  H  H35  1  0.71698282  0.16957309  0.53397526  1
  H  H36  1  0.78301667  0.66957206  0.03397472  1
  H  H37  1  0.28301807  0.83042619  0.46602512  1
  H  H38  1  0.15273292  0.18391310  0.87439317  1
  H  H39  1  0.65273616  0.31609080  0.62560391  1
  H  H40  1  0.84726781  0.81608473  0.12560579  1
  H  H41  1  0.34726515  0.68390777  0.37439749  1
  H  H42  1  0.58306151  0.36280722  0.04627157  1
  H  H43  1  0.08306476  0.13718676  0.45372952  1
  H  H44  1  0.41693858  0.63719138  0.95372877  1
  H  H45  1  0.91693498  0.86281599  0.54626975  1
  H  H46  1  0.73931156  0.43039037  0.00280129  1
  H  H47  1  0.23931823  0.06960872  0.49719970  1
  H  H48  1  0.26068795  0.56960948  0.99719883  1
  H  H49  1  0.76068025  0.93039167  0.50279902  1
  H  H50  1  0.79534567  0.25747859  0.10393388  1
  H  H51  1  0.29534440  0.24252327  0.39606698  1
  H  H52  1  0.20465533  0.74251913  0.89606477  1
  H  H53  1  0.70465794  0.75747906  0.60393416  1
  H  H54  1  0.69333620  0.12519224  0.02283088  1
  H  H55  1  0.19333316  0.37480577  0.47717140  1
  H  H56  1  0.30666478  0.87480639  0.97716750  1
  H  H57  1  0.80666939  0.62519653  0.52282979  1
  H  H58  1  0.80986066  0.33285929  0.81521201  1
  H  H59  1  0.30986404  0.16713914  0.68479004  1
  H  H60  1  0.19013843  0.66714231  0.18478791  1
  H  H61  1  0.69013520  0.83285682  0.31520775  1
  H  H62  1  0.70570822  0.19002545  0.74749803  1
  H  H63  1  0.20571005  0.30997150  0.75250257  1
  H  H64  1  0.29429099  0.80997700  0.25250114  1
  H  H65  1  0.79429045  0.69002302  0.24749805  1
  H  H66  1  0.98526364  0.35227070  0.05564758  1
  H  H67  1  0.48526063  0.14772987  0.44435315  1
  H  H68  1  0.01473660  0.64772932  0.94435111  1
  H  H69  1  0.51474014  0.85227021  0.55564750  1
  H  H70  1  0.96600578  0.36773672  0.92801422  1
  H  H71  1  0.46600605  0.13226556  0.57198735  1
  H  H72  1  0.03399488  0.63226303  0.07198424  1
  H  H73  1  0.53399444  0.86773332  0.42801313  1
  C  C74  1  0.83950642  0.13120029  0.85546340  1
  C  C75  1  0.33950606  0.36879863  0.64453723  1
  C  C76  1  0.16049307  0.86880018  0.14453494  1
  C  C77  1  0.66049441  0.63119973  0.35546459  1
  C  C78  1  0.14284864  0.24030748  0.95326549  1
  C  C79  1  0.64284891  0.25969343  0.54673233  1
  C  C80  1  0.85715183  0.75969175  0.04673321  1
  C  C81  1  0.35715198  0.74030592  0.45326887  1
  C  C82  1  0.67410568  0.33420593  0.99453844  1
  C  C83  1  0.17410867  0.16579023  0.50546264  1
  C  C84  1  0.32589400  0.66579352  0.00546142  1
  C  C85  1  0.82589096  0.83421097  0.49453676  1
  C  C86  1  0.75983131  0.21910702  0.02648099  1
  C  C87  1  0.25983021  0.28089216  0.47352007  1
  C  C88  1  0.24016928  0.78089191  0.97351771  1
  C  C89  1  0.74017111  0.71910926  0.52648086  1
  C  C90  1  0.74599508  0.24060190  0.82235028  1
  C  C91  1  0.24599701  0.25939487  0.67765068  1
  C  C92  1  0.25400412  0.75939931  0.17764910  1
  C  C93  1  0.75400252  0.74060242  0.32234921  1
  C  C94  1  0.99235915  0.29513626  0.97648036  1
  C  C95  1  0.49235848  0.20486499  0.52352003  1
  C  C96  1  0.00764132  0.70486336  0.02351813  1
  C  C97  1  0.50764227  0.79513467  0.47648102  1
  N  N98  1  0.88675628  0.17676560  0.96142166  1
  N  N99  1  0.38675530  0.32323507  0.53857898  1
  N  N100  1  0.11324411  0.82323400  0.03857658  1
  N  N101  1  0.61324576  0.67676500  0.46142272  1
  N  N102  1  0.18134367  0.13999340  0.01534092  1
  N  N103  1  0.68134309  0.36000439  0.48465403  1
  N  N104  1  0.81865644  0.86000640  0.98465825  1
  N  N105  1  0.31865762  0.63999606  0.51534796  1
  N  N106  1  0.62736858  0.29187944  0.89019060  1
  N  N107  1  0.12737137  0.20811411  0.60981032  1
  N  N108  1  0.37263097  0.70812110  0.10980933  1
  N  N109  1  0.87262819  0.79188575  0.39018897  1
  O  O110  1  0.04877764  0.92021817  0.87057550  1
  O  O111  1  0.54878564  0.57977127  0.62942701  1
  O  O112  1  0.95122184  0.07978286  0.12942343  1
  O  O113  1  0.45121525  0.42022791  0.37057474  1
  O  O114  1  0.00330837  0.98219223  0.66355255  1
  O  O115  1  0.50330459  0.51778635  0.83644049  1
  O  O116  1  0.99669171  0.01780908  0.33644665  1
  O  O117  1  0.49669466  0.48221773  0.16356341  1
  O  O118  1  0.90951266  0.43231585  0.62535670  1
  O  O119  1  0.40951486  0.06766788  0.87464649  1
  O  O120  1  0.09048641  0.56768222  0.37464780  1
  O  O121  1  0.59048273  0.93233467  0.12534911  1
  O  O122  1  0.04935183  0.68288397  0.66802103  1
  O  O123  1  0.54935270  0.81710321  0.83197536  1
  O  O124  1  0.95064191  0.31711778  0.33197606  1
  O  O125  1  0.45064521  0.18289856  0.16802601  1
  O  O126  1  0.30560464  0.85303550  0.71805763  1
  O  O127  1  0.80560880  0.64696061  0.78194109  1
  O  O128  1  0.69439356  0.14696083  0.28194214  1
  O  O129  1  0.19438981  0.35304121  0.21806058  1
  O  O130  1  0.05610291  0.50966132  0.79964344  1
  O  O131  1  0.55610319  0.99033183  0.70035697  1
  O  O132  1  0.94390039  0.49034915  0.20035921  1
  O  O133  1  0.44389550  0.00966252  0.29963956  1
