# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71128176
_cell_length_b   19.55659898
_cell_length_c   48.07384428
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.11223996
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe252 C108'
_cell_volume   6215.96080671
_cell_formula_units_Z   36
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  Fe1  1  0.905619  0.849768  0.284211  1
  Fe  Fe2  1  0.540599  0.577466  0.336718  1
  Fe  Fe3  1  0.222895  0.213504  0.310986  1
  Fe  Fe4  1  0.395348  0.865738  0.328782  1
  Fe  Fe5  1  0.071474  0.505225  0.303026  1
  Fe  Fe6  1  0.751528  0.141381  0.276873  1
  Fe  Fe7  1  0.677740  0.003217  0.322278  1
  Fe  Fe8  1  0.365670  0.638267  0.297029  1
  Fe  Fe9  1  0.046517  0.271910  0.271257  1
  Fe  Fe10  1  0.308587  0.750826  0.322900  1
  Fe  Fe11  1  0.995708  0.387515  0.296388  1
  Fe  Fe12  1  0.677437  0.022300  0.270549  1
  Fe  Fe13  1  0.538447  0.923382  0.289769  1
  Fe  Fe14  1  0.173945  0.652338  0.341952  1
  Fe  Fe15  1  0.855443  0.289358  0.315646  1
  Fe  Fe16  1  0.131051  0.737825  0.277465  1
  Fe  Fe17  1  0.765988  0.468155  0.328673  1
  Fe  Fe18  1  0.447855  0.104448  0.302745  1
  Fe  Fe19  1  0.319201  0.003194  0.322267  1
  Fe  Fe20  1  0.996198  0.638294  0.297020  1
  Fe  Fe21  1  0.681759  0.271910  0.271249  1
  Fe  Fe22  1  0.940884  0.750827  0.322911  1
  Fe  Fe23  1  0.617016  0.387521  0.296392  1
  Fe  Fe24  1  0.300493  0.022308  0.270552  1
  Fe  Fe25  1  0.983579  0.033018  0.343682  1
  Fe  Fe26  1  0.664084  0.671995  0.319076  1
  Fe  Fe27  1  0.344878  0.310418  0.292621  1
  Fe  Fe28  1  0.658599  0.683027  0.268717  1
  Fe  Fe29  1  0.295128  0.409963  0.320941  1
  Fe  Fe30  1  0.977484  0.045280  0.294677  1
  Fe  Fe31  1  0.739098  0.865716  0.328779  1
  Fe  Fe32  1  0.423474  0.505219  0.303027  1
  Fe  Fe33  1  0.107337  0.141377  0.276876  1
  Fe  Fe34  1  0.244815  0.849752  0.284208  1
  Fe  Fe35  1  0.882085  0.577464  0.336716  1
  Fe  Fe36  1  0.563789  0.213503  0.310984  1
  Fe  Fe37  1  0.605109  0.789669  0.292862  1
  Fe  Fe38  1  0.286836  0.426539  0.268542  1
  Fe  Fe39  1  0.925048  0.150008  0.321868  1
  Fe  Fe40  1  0.037970  0.924389  0.316652  1
  Fe  Fe41  1  0.720232  0.559686  0.287584  1
  Fe  Fe42  1  0.356047  0.288183  0.342262  1
  Fe  Fe43  1  0.860496  0.939619  0.361237  1
  Fe  Fe44  1  0.497003  0.666245  0.412911  1
  Fe  Fe45  1  0.179109  0.302709  0.386906  1
  Fe  Fe46  1  0.351773  0.955590  0.405256  1
  Fe  Fe47  1  0.034389  0.592130  0.379976  1
  Fe  Fe48  1  0.715532  0.229345  0.354125  1
  Fe  Fe49  1  0.636747  0.092544  0.399245  1
  Fe  Fe50  1  0.313440  0.730091  0.374360  1
  Fe  Fe51  1  0.996839  0.367070  0.347947  1
  Fe  Fe52  1  0.259753  0.840182  0.400167  1
  Fe  Fe53  1  0.943282  0.477123  0.374336  1
  Fe  Fe54  1  0.627595  0.113760  0.348115  1
  Fe  Fe55  1  0.492688  0.014876  0.366939  1
  Fe  Fe56  1  0.129396  0.741439  0.418735  1
  Fe  Fe57  1  0.811086  0.378066  0.392837  1
  Fe  Fe58  1  0.085734  0.828681  0.354811  1
  Fe  Fe59  1  0.722749  0.554649  0.407140  1
  Fe  Fe60  1  0.404648  0.190864  0.381439  1
  Fe  Fe61  1  0.270872  0.092538  0.399239  1
  Fe  Fe62  1  0.956610  0.730086  0.374354  1
  Fe  Fe63  1  0.636257  0.367064  0.347941  1
  Fe  Fe64  1  0.900301  0.840183  0.400170  1
  Fe  Fe65  1  0.579823  0.477127  0.374337  1
  Fe  Fe66  1  0.258904  0.113765  0.348117  1
  Fe  Fe67  1  0.938817  0.122561  0.420886  1
  Fe  Fe68  1  0.620479  0.759223  0.395453  1
  Fe  Fe69  1  0.301874  0.396430  0.369439  1
  Fe  Fe70  1  0.613337  0.773575  0.346148  1
  Fe  Fe71  1  0.250712  0.498796  0.397306  1
  Fe  Fe72  1  0.932450  0.135335  0.371533  1
  Fe  Fe73  1  0.692794  0.955567  0.405250  1
  Fe  Fe74  1  0.373647  0.592116  0.379972  1
  Fe  Fe75  1  0.055310  0.229328  0.354121  1
  Fe  Fe76  1  0.200110  0.939615  0.361244  1
  Fe  Fe77  1  0.836947  0.666245  0.412915  1
  Fe  Fe78  1  0.518393  0.302708  0.386910  1
  Fe  Fe79  1  0.560439  0.879186  0.372229  1
  Fe  Fe80  1  0.242183  0.515703  0.346910  1
  Fe  Fe81  1  0.878556  0.242980  0.397727  1
  Fe  Fe82  1  0.992682  0.014936  0.393442  1
  Fe  Fe83  1  0.674136  0.651973  0.368504  1
  Fe  Fe84  1  0.310968  0.378340  0.419292  1
  Fe  Fe85  1  0.814550  0.029663  0.438349  1
  Fe  Fe86  1  0.451888  0.756206  0.489672  1
  Fe  Fe87  1  0.132996  0.392868  0.464119  1
  Fe  Fe88  1  0.306850  0.045404  0.482227  1
  Fe  Fe89  1  0.989092  0.682268  0.456788  1
  Fe  Fe90  1  0.670199  0.318977  0.430983  1
  Fe  Fe91  1  0.589966  0.182615  0.476259  1
  Fe  Fe92  1  0.271090  0.819600  0.450734  1
  Fe  Fe93  1  0.955220  0.455512  0.425040  1
  Fe  Fe94  1  0.216480  0.930308  0.476680  1
  Fe  Fe95  1  0.898077  0.567192  0.451260  1
  Fe  Fe96  1  0.580019  0.203880  0.425396  1
  Fe  Fe97  1  0.447958  0.104327  0.443898  1
  Fe  Fe98  1  0.084342  0.831552  0.495349  1
  Fe  Fe99  1  0.766178  0.467888  0.469665  1
  Fe  Fe100  1  0.040685  0.918774  0.431901  1
  Fe  Fe101  1  0.677562  0.645024  0.483584  1
  Fe  Fe102  1  0.359101  0.281949  0.457633  1
  Fe  Fe103  1  0.227595  0.182616  0.476255  1
  Fe  Fe104  1  0.909478  0.819600  0.450729  1
  Fe  Fe105  1  0.589439  0.455509  0.425034  1
  Fe  Fe106  1  0.853418  0.930312  0.476678  1
  Fe  Fe107  1  0.534942  0.567198  0.451259  1
  Fe  Fe108  1  0.216326  0.203884  0.425396  1
  Fe  Fe109  1  0.893922  0.212371  0.497705  1
  Fe  Fe110  1  0.575462  0.849256  0.472081  1
  Fe  Fe111  1  0.257347  0.485499  0.446621  1
  Fe  Fe112  1  0.568806  0.862600  0.422751  1
  Fe  Fe113  1  0.205610  0.588995  0.474216  1
  Fe  Fe114  1  0.887195  0.225827  0.448374  1
  Fe  Fe115  1  0.647897  0.045380  0.482219  1
  Fe  Fe116  1  0.328801  0.682249  0.456782  1
  Fe  Fe117  1  0.010985  0.318956  0.430977  1
  Fe  Fe118  1  0.156008  0.029665  0.438357  1
  Fe  Fe119  1  0.792113  0.756207  0.489677  1
  Fe  Fe120  1  0.474354  0.392870  0.464126  1
  Fe  Fe121  1  0.515426  0.969222  0.448905  1
  Fe  Fe122  1  0.197347  0.605387  0.424108  1
  Fe  Fe123  1  0.833938  0.332207  0.474763  1
  Fe  Fe124  1  0.947706  0.104864  0.470428  1
  Fe  Fe125  1  0.629237  0.741785  0.445234  1
  Fe  Fe126  1  0.266078  0.468126  0.496232  1
  Fe  Fe127  1  0.770178  0.119328  0.515134  1
  Fe  Fe128  1  0.406875  0.845801  0.566485  1
  Fe  Fe129  1  0.088282  0.482573  0.540971  1
  Fe  Fe130  1  0.262407  0.135058  0.558991  1
  Fe  Fe131  1  0.944006  0.771956  0.533448  1
  Fe  Fe132  1  0.625634  0.408710  0.507868  1
  Fe  Fe133  1  0.544915  0.272332  0.553074  1
  Fe  Fe134  1  0.226851  0.909097  0.527551  1
  Fe  Fe135  1  0.908346  0.545935  0.501981  1
  Fe  Fe136  1  0.171064  0.019838  0.553575  1
  Fe  Fe137  1  0.852179  0.656786  0.528089  1
  Fe  Fe138  1  0.534846  0.293490  0.502337  1
  Fe  Fe139  1  0.402951  0.194341  0.520843  1
  Fe  Fe140  1  0.039823  0.920599  0.572308  1
  Fe  Fe141  1  0.721453  0.557341  0.546732  1
  Fe  Fe142  1  0.996000  0.008135  0.508899  1
  Fe  Fe143  1  0.632682  0.734777  0.560325  1
  Fe  Fe144  1  0.314263  0.371637  0.534676  1
  Fe  Fe145  1  0.182958  0.272335  0.553071  1
  Fe  Fe146  1  0.864236  0.909099  0.527543  1
  Fe  Fe147  1  0.545898  0.545936  0.501976  1
  Fe  Fe148  1  0.809304  0.019844  0.553571  1
  Fe  Fe149  1  0.491239  0.656793  0.528088  1
  Fe  Fe150  1  0.171880  0.293492  0.502336  1
  Fe  Fe151  1  0.849135  0.301975  0.574436  1
  Fe  Fe152  1  0.530639  0.938875  0.548996  1
  Fe  Fe153  1  0.212404  0.575392  0.523418  1
  Fe  Fe154  1  0.523899  0.952398  0.499581  1
  Fe  Fe155  1  0.160713  0.678785  0.550779  1
  Fe  Fe156  1  0.842362  0.315491  0.525223  1
  Fe  Fe157  1  0.602695  0.135031  0.558980  1
  Fe  Fe158  1  0.284194  0.771935  0.533441  1
  Fe  Fe159  1  0.965810  0.408687  0.507861  1
  Fe  Fe160  1  0.110721  0.119334  0.515142  1
  Fe  Fe161  1  0.747526  0.845796  0.566492  1
  Fe  Fe162  1  0.429368  0.482576  0.540979  1
  Fe  Fe163  1  0.470656  0.058758  0.525976  1
  Fe  Fe164  1  0.152182  0.695717  0.500541  1
  Fe  Fe165  1  0.789053  0.421994  0.551678  1
  Fe  Fe166  1  0.902867  0.194532  0.547366  1
  Fe  Fe167  1  0.584307  0.831660  0.521836  1
  Fe  Fe168  1  0.221120  0.558042  0.573065  1
  Fe  Fe169  1  0.725264  0.209209  0.591885  1
  Fe  Fe170  1  0.362656  0.935487  0.643461  1
  Fe  Fe171  1  0.044054  0.572601  0.618318  1
  Fe  Fe172  1  0.218708  0.224112  0.635336  1
  Fe  Fe173  1  0.898331  0.861985  0.610590  1
  Fe  Fe174  1  0.579819  0.499123  0.585035  1
  Fe  Fe175  1  0.501136  0.362118  0.629925  1
  Fe  Fe176  1  0.181265  0.998866  0.604329  1
  Fe  Fe177  1  0.864096  0.635634  0.578833  1
  Fe  Fe178  1  0.126325  0.109797  0.630310  1
  Fe  Fe179  1  0.809593  0.747267  0.604807  1
  Fe  Fe180  1  0.491027  0.383783  0.579223  1
  Fe  Fe181  1  0.357697  0.284864  0.597298  1
  Fe  Fe182  1  0.994139  0.012028  0.648648  1
  Fe  Fe183  1  0.675502  0.649218  0.623093  1
  Fe  Fe184  1  0.951088  0.097954  0.585731  1
  Fe  Fe185  1  0.587453  0.825215  0.637122  1
  Fe  Fe186  1  0.268982  0.462221  0.611564  1
  Fe  Fe187  1  0.136982  0.362120  0.629923  1
  Fe  Fe188  1  0.820072  0.998867  0.604314  1
  Fe  Fe189  1  0.500438  0.635638  0.578829  1
  Fe  Fe190  1  0.764133  0.109817  0.630299  1
  Fe  Fe191  1  0.443337  0.747271  0.604806  1
  Fe  Fe192  1  0.125415  0.383781  0.579220  1
  Fe  Fe193  1  0.803939  0.392387  0.651922  1
  Fe  Fe194  1  0.486091  0.027927  0.625506  1
  Fe  Fe195  1  0.167534  0.665128  0.600098  1
  Fe  Fe196  1  0.479098  0.041982  0.576354  1
  Fe  Fe197  1  0.115549  0.769078  0.628096  1
  Fe  Fe198  1  0.797350  0.405515  0.602498  1
  Fe  Fe199  1  0.557380  0.224089  0.635320  1
  Fe  Fe200  1  0.239788  0.861959  0.610578  1
  Fe  Fe201  1  0.921206  0.499101  0.585027  1
  Fe  Fe202  1  0.065783  0.209219  0.591885  1
  Fe  Fe203  1  0.702038  0.935473  0.643482  1
  Fe  Fe204  1  0.383563  0.572606  0.618328  1
  Fe  Fe205  1  0.425851  0.148366  0.602795  1
  Fe  Fe206  1  0.107380  0.785308  0.577295  1
  Fe  Fe207  1  0.744048  0.512044  0.628661  1
  Fe  Fe208  1  0.857909  0.284452  0.624164  1
  Fe  Fe209  1  0.539456  0.921393  0.598681  1
  Fe  Fe210  1  0.176058  0.648134  0.649954  1
  Fe  Fe211  1  0.679408  0.298487  0.668604  1
  Fe  Fe212  1  0.312983  0.027854  0.721260  1
  Fe  Fe213  1  0.997309  0.661468  0.694293  1
  Fe  Fe214  1  0.157849  0.319171  0.716101  1
  Fe  Fe215  1  0.854845  0.951971  0.686993  1
  Fe  Fe216  1  0.537910  0.587642  0.660792  1
  Fe  Fe217  1  0.460646  0.451920  0.707238  1
  Fe  Fe218  1  0.145645  0.088486  0.681561  1
  Fe  Fe219  1  0.817032  0.725691  0.655511  1
  Fe  Fe220  1  0.086935  0.200905  0.707100  1
  Fe  Fe221  1  0.762299  0.836494  0.681985  1
  Fe  Fe222  1  0.440856  0.471765  0.656221  1
  Fe  Fe223  1  0.315153  0.369964  0.675479  1
  Fe  Fe224  1  0.953062  0.094051  0.728254  1
  Fe  Fe225  1  0.633589  0.733028  0.701499  1
  Fe  Fe226  1  0.906850  0.186511  0.662499  1
  Fe  Fe227  1  0.543042  0.914042  0.714235  1
  Fe  Fe228  1  0.224307  0.551566  0.689040  1
  Fe  Fe229  1  0.087703  0.451924  0.707236  1
  Fe  Fe230  1  0.765672  0.088445  0.681570  1
  Fe  Fe231  1  0.457390  0.725701  0.655510  1
  Fe  Fe232  1  0.712386  0.200952  0.707083  1
  Fe  Fe233  1  0.401309  0.836478  0.681986  1
  Fe  Fe234  1  0.087592  0.471762  0.656217  1
  Fe  Fe235  1  0.762001  0.476246  0.726710  1
  Fe  Fe236  1  0.435063  0.130259  0.705198  1
  Fe  Fe237  1  0.122346  0.755531  0.677171  1
  Fe  Fe238  1  0.434497  0.131212  0.653221  1
  Fe  Fe239  1  0.071290  0.857582  0.705701  1
  Fe  Fe240  1  0.753018  0.494163  0.677940  1
  Fe  Fe241  1  0.523190  0.319136  0.716083  1
  Fe  Fe242  1  0.193026  0.951937  0.686967  1
  Fe  Fe243  1  0.874583  0.587632  0.660787  1
  Fe  Fe244  1  0.022399  0.298501  0.668600  1
  Fe  Fe245  1  0.659748  0.027867  0.721494  1
  Fe  Fe246  1  0.341389  0.661463  0.694305  1
  Fe  Fe247  1  0.380681  0.238808  0.679491  1
  Fe  Fe248  1  0.062343  0.875352  0.654347  1
  Fe  Fe249  1  0.699411  0.601324  0.705158  1
  Fe  Fe250  1  0.813429  0.373417  0.701001  1
  Fe  Fe251  1  0.494523  0.011414  0.675480  1
  Fe  Fe252  1  0.129311  0.741528  0.726798  1
  C  C253  1  0.857529  0.728710  0.286234  1
  C  C254  1  0.493714  0.457307  0.337519  1
  C  C255  1  0.175722  0.092816  0.311268  1
  C  C256  1  0.248779  0.945502  0.292750  1
  C  C257  1  0.883922  0.673720  0.344543  1
  C  C258  1  0.565223  0.310062  0.318217  1
  C  C259  1  0.087758  0.824711  0.314850  1
  C  C260  1  0.770114  0.459967  0.288821  1
  C  C261  1  0.405911  0.188398  0.341490  1
  C  C262  1  0.530106  0.939994  0.340519  1
  C  C263  1  0.211329  0.577503  0.315518  1
  C  C264  1  0.894196  0.211799  0.290496  1
  C  C265  1  0.414134  0.728674  0.286208  1
  C  C266  1  0.049130  0.457298  0.337513  1
  C  C267  1  0.731640  0.092811  0.311260  1
  C  C268  1  0.805951  0.945519  0.292765  1
  C  C269  1  0.442546  0.673731  0.344549  1
  C  C270  1  0.124933  0.310067  0.318224  1
  C  C271  1  0.811644  0.819673  0.363569  1
  C  C272  1  0.446894  0.545847  0.414716  1
  C  C273  1  0.128058  0.182782  0.388832  1
  C  C274  1  0.202399  0.035790  0.369259  1
  C  C275  1  0.839047  0.762418  0.421026  1
  C  C276  1  0.520730  0.398840  0.395041  1
  C  C277  1  0.042478  0.915220  0.391940  1
  C  C278  1  0.723974  0.552237  0.367182  1
  C  C279  1  0.360771  0.278645  0.417671  1
  C  C280  1  0.485072  0.030051  0.417202  1
  C  C281  1  0.166940  0.666290  0.392439  1
  C  C282  1  0.848117  0.303962  0.366072  1
  C  C283  1  0.368852  0.819656  0.363563  1
  C  C284  1  0.007419  0.545836  0.414714  1
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  C  C286  1  0.762042  0.035791  0.369269  1
  C  C287  1  0.398748  0.762418  0.421032  1
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  C  C308  1  0.357385  0.725650  0.568185  1
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  C  C311  1  0.749539  0.942002  0.574513  1
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  C  C314  1  0.634115  0.731947  0.520358  1
  C  C315  1  0.270922  0.458323  0.571611  1
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  C  C318  1  0.758576  0.483046  0.520043  1
  C  C319  1  0.280100  0.999118  0.516972  1
  C  C320  1  0.917119  0.725637  0.568183  1
  C  C321  1  0.598637  0.362356  0.542589  1
  C  C322  1  0.672012  0.215499  0.523241  1
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  C  C326  1  0.312912  0.815875  0.645364  1
  C  C327  1  0.994512  0.452517  0.619704  1
  C  C328  1  0.067556  0.305408  0.599995  1
  C  C329  1  0.703892  0.031857  0.651120  1
  C  C330  1  0.385245  0.669140  0.625714  1
  C  C331  1  0.907770  0.184752  0.622525  1
  C  C332  1  0.589233  0.821690  0.597166  1
  C  C333  1  0.225892  0.548369  0.649059  1
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  C  C338  1  0.871341  0.815856  0.645367  1
  C  C339  1  0.553159  0.452514  0.619707  1
  C  C340  1  0.627286  0.305401  0.599996  1
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  C  C342  1  0.945829  0.669133  0.625717  1
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  C  C346  1  0.025138  0.394345  0.677176  1
  C  C347  1  0.665001  0.123840  0.729460  1
  C  C348  1  0.343566  0.757579  0.702405  1
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  C  C350  1  0.544170  0.911635  0.674254  1
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  C  C355  1  0.190888  0.178955  0.670303  1
  C  C356  1  0.826874  0.907021  0.721983  1
  C  C357  1  0.510783  0.541441  0.695538  1
  C  C358  1  0.580778  0.394336  0.677175  1
  C  C359  1  0.211504  0.123705  0.729433  1
  C  C360  1  0.899032  0.757587  0.702398  1
