# generated using pymatgen
data_Cr2Fe3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35843455
_cell_length_b   9.71044708
_cell_length_c   13.67108966
_cell_angle_alpha   103.34508221
_cell_angle_beta   90.00001465
_cell_angle_gamma   90.00013386
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Fe3H32C12(NO2)6
_chemical_formula_sum   'Cr4 Fe6 H64 C24 N12 O24'
_cell_volume   1208.80797354
_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  0.10257344  0.87221692  0.73543333  1
  Fe  Fe1  1  0.60257110  0.62778043  0.76455407  1
  Fe  Fe2  1  0.89741631  0.12779021  0.26455647  1
  Fe  Fe3  1  0.39740547  0.37222743  0.23543271  1
  Cr  Cr4  1  0.95623076  0.56544144  0.71857609  1
  Cr  Cr5  1  0.45623271  0.93454829  0.78142632  1
  Cr  Cr6  1  0.04376327  0.43456017  0.28142258  1
  Cr  Cr7  1  0.54376669  0.06545102  0.21857473  1
  Fe  Fe8  1  0.00011494  0.99989468  1.00004364  1
  Fe  Fe9  1  0.50011220  0.49999348  0.49998943  1
  H  H10  1  0.19296680  0.19314456  0.08961166  1
  H  H11  1  0.69297901  0.30684160  0.41038650  1
  H  H12  1  0.80704733  0.80685850  0.91038734  1
  H  H13  1  0.30706647  0.69313278  0.58961626  1
  H  H14  1  0.28044204  0.09895257  0.98898275  1
  H  H15  1  0.78044966  0.40103659  0.51101274  1
  H  H16  1  0.71958026  0.90105761  0.01101928  1
  H  H17  1  0.21958930  0.59893561  0.48898496  1
  H  H18  1  0.55806286  0.43538514  0.85674464  1
  H  H19  1  0.05806235  0.06460470  0.64325077  1
  H  H20  1  0.44194004  0.56461960  0.14325575  1
  H  H21  1  0.94193889  0.93539948  0.35674505  1
  H  H22  1  0.55014508  0.21365476  0.88280631  1
  H  H23  1  0.05014465  0.28633542  0.61719515  1
  H  H24  1  0.44985454  0.78634685  0.11719323  1
  H  H25  1  0.94985718  0.71366600  0.38280396  1
  H  H26  1  0.78058524  0.03190206  0.84842093  1
  H  H27  1  0.28058800  0.46809215  0.65157806  1
  H  H28  1  0.21942134  0.96810607  0.15158307  1
  H  H29  1  0.71942687  0.53189541  0.34841240  1
  H  H30  1  0.93069293  0.10860213  0.80463827  1
  H  H31  1  0.43069286  0.39139142  0.69536696  1
  H  H32  1  0.06931200  0.89139460  0.19536128  1
  H  H33  1  0.56931263  0.60860630  0.30464156  1
  H  H34  1  0.21658720  0.32873169  0.96546517  1
  H  H35  1  0.71659599  0.17125693  0.53453676  1
  H  H36  1  0.78341004  0.67125793  0.03453649  1
  H  H37  1  0.28342020  0.82873158  0.46546896  1
  H  H38  1  0.15177779  0.18136790  0.87487783  1
  H  H39  1  0.65178677  0.31862378  0.62512208  1
  H  H40  1  0.84822000  0.81862152  0.12512231  1
  H  H41  1  0.34822264  0.68136719  0.37488121  1
  H  H42  1  0.58137590  0.36301358  0.04574188  1
  H  H43  1  0.08137732  0.13698033  0.45425877  1
  H  H44  1  0.41862753  0.63698322  0.95425737  1
  H  H45  1  0.91862796  0.86302772  0.54574139  1
  H  H46  1  0.73761737  0.43065212  0.00212038  1
  H  H47  1  0.23762078  0.06934329  0.49788114  1
  H  H48  1  0.26238148  0.56934874  0.99787939  1
  H  H49  1  0.76237639  0.93065342  0.50211772  1
  H  H50  1  0.79525247  0.25598351  0.10349789  1
  H  H51  1  0.29525249  0.24401351  0.39650061  1
  H  H52  1  0.20475109  0.74400097  0.89649268  1
  H  H53  1  0.70475631  0.75599730  0.60350385  1
  H  H54  1  0.69336038  0.12483854  0.02231106  1
  H  H55  1  0.19336445  0.37515746  0.47769551  1
  H  H56  1  0.30664393  0.87516291  0.97768584  1
  H  H57  1  0.80665450  0.62484117  0.52231441  1
  H  H58  1  0.80935835  0.33343186  0.81556056  1
  H  H59  1  0.30936040  0.16656447  0.68444232  1
  H  H60  1  0.19064054  0.66656976  0.18444066  1
  H  H61  1  0.69063747  0.83343077  0.31555536  1
  H  H62  1  0.70553589  0.19045720  0.74715371  1
  H  H63  1  0.20553729  0.30953971  0.75284744  1
  H  H64  1  0.29446498  0.80954432  0.25284786  1
  H  H65  1  0.79446453  0.69045632  0.24715085  1
  H  H66  1  0.98511349  0.35072827  0.05622626  1
  H  H67  1  0.48511584  0.14926124  0.44377279  1
  H  H68  1  0.01488880  0.64926846  0.94377126  1
  H  H69  1  0.51489612  0.85072661  0.55622530  1
  H  H70  1  0.96762432  0.36803163  0.92882589  1
  H  H71  1  0.46762381  0.13195692  0.57117600  1
  H  H72  1  0.03238826  0.63196265  0.07117223  1
  H  H73  1  0.53238719  0.86802412  0.42882508  1
  C  C74  1  0.83932027  0.13132011  0.85531414  1
  C  C75  1  0.33932385  0.36867475  0.64468805  1
  C  C76  1  0.16068670  0.86868447  0.14469105  1
  C  C77  1  0.66069156  0.63131654  0.35530924  1
  C  C78  1  0.14254693  0.23857502  0.95362591  1
  C  C79  1  0.64255375  0.26140914  0.54637492  1
  C  C80  1  0.85745137  0.76141413  0.04637428  1
  C  C81  1  0.35745835  0.73857107  0.45362909  1
  C  C82  1  0.67287386  0.33421703  0.99428064  1
  C  C83  1  0.17287629  0.16577668  0.50572052  1
  C  C84  1  0.32712929  0.66577971  0.00571879  1
  C  C85  1  0.82712950  0.83422578  0.49427918  1
  C  C86  1  0.75937314  0.21908682  0.02604211  1
  C  C87  1  0.25937453  0.28090709  0.47395955  1
  C  C88  1  0.24064074  0.78090836  0.97395247  1
  C  C89  1  0.74064537  0.71909169  0.52604562  1
  C  C90  1  0.74578767  0.24067988  0.82206565  1
  C  C91  1  0.24578953  0.25931581  0.67793589  1
  C  C92  1  0.25421467  0.75932053  0.17793566  1
  C  C93  1  0.75421433  0.74068302  0.32206238  1
  C  C94  1  0.99216794  0.29424369  0.97690500  1
  C  C95  1  0.49217566  0.20573819  0.52309582  1
  C  C96  1  0.00782581  0.70573918  0.02309548  1
  C  C97  1  0.50783558  0.79424375  0.47690375  1
  N  N98  1  0.88590053  0.17709562  0.96109170  1
  N  N99  1  0.38591218  0.32289142  0.53891233  1
  N  N100  1  0.11410612  0.82290224  0.03891295  1
  N  N101  1  0.61412080  0.67708810  0.46108820  1
  N  N102  1  0.18265464  0.13949601  0.01577339  1
  N  N103  1  0.68266121  0.36048688  0.48422593  1
  N  N104  1  0.81736047  0.86049038  0.98422879  1
  N  N105  1  0.31736918  0.63949708  0.51577594  1
  N  N106  1  0.62681933  0.29104181  0.88975220  1
  N  N107  1  0.12682236  0.20895207  0.61024886  1
  N  N108  1  0.37318047  0.70895961  0.11024760  1
  N  N109  1  0.87318010  0.79105011  0.38974980  1
  O  O110  1  0.04792018  0.91236389  0.86842327  1
  O  O111  1  0.54785838  0.58779913  0.63157211  1
  O  O112  1  0.95186483  0.08779565  0.13152231  1
  O  O113  1  0.45179035  0.41236906  0.36847384  1
  O  O114  1  0.00699157  0.98217258  0.66055666  1
  O  O115  1  0.50699639  0.51781251  0.83942691  1
  O  O116  1  0.99300712  0.01782380  0.33942342  1
  O  O117  1  0.49300947  0.48219469  0.16057473  1
  O  O118  1  0.90985706  0.43154686  0.62582426  1
  O  O119  1  0.40986524  0.06844118  0.87417918  1
  O  O120  1  0.09013198  0.56845369  0.37417191  1
  O  O121  1  0.59013239  0.93156245  0.12581867  1
  O  O122  1  0.04854044  0.68282518  0.66638456  1
  O  O123  1  0.54854139  0.81716697  0.83361939  1
  O  O124  1  0.95145337  0.31717502  0.33361542  1
  O  O125  1  0.45145620  0.18284216  0.16638816  1
  O  O126  1  0.30707338  0.85456206  0.71805588  1
  O  O127  1  0.80707157  0.64543506  0.78194711  1
  O  O128  1  0.69291611  0.14545160  0.28195867  1
  O  O129  1  0.19290628  0.35455781  0.21803790  1
  O  O130  1  0.05933835  0.51060744  0.79818897  1
  O  O131  1  0.55933594  0.98938857  0.70181446  1
  O  O132  1  0.94065876  0.48940373  0.20181370  1
  O  O133  1  0.44066005  0.01060676  0.29818249  1
