# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.64342998
_cell_length_b   11.42368446
_cell_length_c   48.13467845
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe224 C96'
_cell_volume   5852.56008798
_cell_formula_units_Z   32
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  0.798471  0.274236  0.373804  1
  Fe  Fe2  1  0.800036  0.612805  0.318516  1
  Fe  Fe3  1  0.707865  0.229689  0.276505  1
  Fe  Fe4  1  0.698633  0.905194  0.333188  1
  Fe  Fe5  1  0.200145  0.185558  0.304620  1
  Fe  Fe6  1  0.201625  0.851382  0.361913  1
  Fe  Fe7  1  0.299178  0.146067  0.375635  1
  Fe  Fe8  1  0.298185  0.485745  0.319776  1
  Fe  Fe9  1  0.800211  0.305572  0.319369  1
  Fe  Fe10  1  0.800947  0.966745  0.374261  1
  Fe  Fe11  1  0.696667  0.136233  0.345936  1
  Fe  Fe12  1  0.693047  0.470586  0.292716  1
  Fe  Fe13  1  0.199914  0.957040  0.294416  1
  Fe  Fe14  1  0.196925  0.622178  0.348361  1
  Fe  Fe15  1  0.299847  0.453944  0.375974  1
  Fe  Fe16  1  0.302841  0.794903  0.321002  1
  Fe  Fe17  1  0.571087  0.301242  0.318919  1
  Fe  Fe18  1  0.575224  0.962767  0.374689  1
  Fe  Fe19  1  0.925931  0.132854  0.346731  1
  Fe  Fe20  1  0.921223  0.476005  0.290594  1
  Fe  Fe21  1  0.425536  0.963096  0.291011  1
  Fe  Fe22  1  0.424606  0.623455  0.348928  1
  Fe  Fe23  1  0.073194  0.457874  0.374937  1
  Fe  Fe24  1  0.082071  0.788428  0.321402  1
  Fe  Fe25  1  0.372432  0.243890  0.328365  1
  Fe  Fe26  1  0.374911  0.904001  0.384291  1
  Fe  Fe27  1  0.124412  0.075885  0.356039  1
  Fe  Fe28  1  0.124963  0.422479  0.299492  1
  Fe  Fe29  1  0.625921  0.022370  0.282809  1
  Fe  Fe30  1  0.626531  0.683025  0.338717  1
  Fe  Fe31  1  0.873400  0.514759  0.365773  1
  Fe  Fe32  1  0.874291  0.857226  0.310241  1
  Fe  Fe33  1  0.701427  0.441549  0.346012  1
  Fe  Fe34  1  0.698889  0.779036  0.290512  1
  Fe  Fe35  1  0.798100  0.074575  0.305779  1
  Fe  Fe36  1  0.800662  0.735613  0.361120  1
  Fe  Fe37  1  0.297380  0.018561  0.334174  1
  Fe  Fe38  1  0.298269  0.683910  0.388744  1
  Fe  Fe39  1  0.197830  0.315889  0.347524  1
  Fe  Fe40  1  0.207188  0.652866  0.291021  1
  Fe  Fe41  1  0.505566  0.185666  0.367186  1
  Fe  Fe42  1  0.504093  0.523242  0.311593  1
  Fe  Fe43  1  0.985107  0.234571  0.299478  1
  Fe  Fe44  1  0.989494  0.901099  0.355803  1
  Fe  Fe45  1  0.487823  0.193778  0.283290  1
  Fe  Fe46  1  0.493429  0.857483  0.338974  1
  Fe  Fe47  1  0.008065  0.235119  0.382131  1
  Fe  Fe48  1  0.006520  0.575352  0.327127  1
  Fe  Fe49  1  0.489888  0.403550  0.354555  1
  Fe  Fe50  1  0.492848  0.740325  0.298782  1
  Fe  Fe51  1  0.007539  0.023397  0.311322  1
  Fe  Fe52  1  0.006921  0.689143  0.366240  1
  Fe  Fe53  1  0.509127  0.067931  0.328039  1
  Fe  Fe54  1  0.509727  0.730441  0.383329  1
  Fe  Fe55  1  0.992458  0.353677  0.339145  1
  Fe  Fe56  1  0.981659  0.702314  0.282700  1
  Fe  Fe57  1  0.799383  0.595110  0.485183  1
  Fe  Fe58  1  0.800032  0.934220  0.429693  1
  Fe  Fe59  1  0.699695  0.566127  0.389282  1
  Fe  Fe60  1  0.698667  0.226712  0.444480  1
  Fe  Fe61  1  0.198394  0.514936  0.416393  1
  Fe  Fe62  1  0.198913  0.175674  0.471923  1
  Fe  Fe63  1  0.299442  0.468306  0.486953  1
  Fe  Fe64  1  0.299609  0.807585  0.431366  1
  Fe  Fe65  1  0.801400  0.627325  0.429299  1
  Fe  Fe66  1  0.801217  0.288158  0.484980  1
  Fe  Fe67  1  0.697248  0.456948  0.457356  1
  Fe  Fe68  1  0.698066  0.797371  0.401736  1
  Fe  Fe69  1  0.196895  0.284257  0.403683  1
  Fe  Fe70  1  0.197386  0.945474  0.459317  1
  Fe  Fe71  1  0.301274  0.775174  0.487068  1
  Fe  Fe72  1  0.301415  0.115003  0.431538  1
  Fe  Fe73  1  0.572872  0.622573  0.430130  1
  Fe  Fe74  1  0.573529  0.284363  0.485883  1
  Fe  Fe75  1  0.924863  0.453314  0.457943  1
  Fe  Fe76  1  0.924685  0.792838  0.402439  1
  Fe  Fe77  1  0.424693  0.288364  0.402829  1
  Fe  Fe78  1  0.425377  0.949309  0.458806  1
  Fe  Fe79  1  0.073224  0.779474  0.486407  1
  Fe  Fe80  1  0.073712  0.118450  0.430809  1
  Fe  Fe81  1  0.373087  0.566112  0.439382  1
  Fe  Fe82  1  0.373375  0.226763  0.495249  1
  Fe  Fe83  1  0.125114  0.395905  0.467378  1
  Fe  Fe84  1  0.124944  0.735969  0.411786  1
  Fe  Fe85  1  0.624295  0.346139  0.393474  1
  Fe  Fe86  1  0.625624  0.006273  0.449481  1
  Fe  Fe87  1  0.873200  0.836540  0.477143  1
  Fe  Fe88  1  0.873390  0.175807  0.421373  1
  Fe  Fe89  1  0.699101  0.764335  0.457455  1
  Fe  Fe90  1  0.699038  0.104086  0.401843  1
  Fe  Fe91  1  0.799833  0.396321  0.416644  1
  Fe  Fe92  1  0.799707  0.057638  0.472459  1
  Fe  Fe93  1  0.299505  0.345144  0.444217  1
  Fe  Fe94  1  0.299760  0.006056  0.499657  1
  Fe  Fe95  1  0.198975  0.638138  0.459117  1
  Fe  Fe96  1  0.199579  0.977410  0.403683  1
  Fe  Fe97  1  0.506884  0.506697  0.478345  1
  Fe  Fe98  1  0.507528  0.845825  0.422823  1
  Fe  Fe99  1  0.991707  0.561429  0.411075  1
  Fe  Fe100  1  0.991794  0.223497  0.466533  1
  Fe  Fe101  1  0.491830  0.518017  0.394503  1
  Fe  Fe102  1  0.492202  0.179733  0.449918  1
  Fe  Fe103  1  0.006970  0.556367  0.493854  1
  Fe  Fe104  1  0.006707  0.895866  0.438401  1
  Fe  Fe105  1  0.491491  0.726023  0.465922  1
  Fe  Fe106  1  0.492125  0.065249  0.410625  1
  Fe  Fe107  1  0.006575  0.348968  0.422111  1
  Fe  Fe108  1  0.006549  0.009902  0.477879  1
  Fe  Fe109  1  0.505985  0.392705  0.438745  1
  Fe  Fe110  1  0.506910  0.053692  0.494332  1
  Fe  Fe111  1  0.991744  0.676358  0.450612  1
  Fe  Fe112  1  0.990802  0.016747  0.395020  1
  Fe  Fe113  1  0.798964  0.916371  0.596288  1
  Fe  Fe114  1  0.799568  0.255643  0.540855  1
  Fe  Fe115  1  0.698783  0.887726  0.500315  1
  Fe  Fe116  1  0.699037  0.548637  0.555755  1
  Fe  Fe117  1  0.198835  0.836143  0.527513  1
  Fe  Fe118  1  0.198710  0.497460  0.583328  1
  Fe  Fe119  1  0.299504  0.789695  0.598129  1
  Fe  Fe120  1  0.299442  0.129447  0.542517  1
  Fe  Fe121  1  0.801157  0.948308  0.540655  1
  Fe  Fe122  1  0.801647  0.609524  0.596289  1
  Fe  Fe123  1  0.697128  0.778778  0.568434  1
  Fe  Fe124  1  0.697268  0.118607  0.512904  1
  Fe  Fe125  1  0.197326  0.605623  0.514992  1
  Fe  Fe126  1  0.197142  0.266457  0.570673  1
  Fe  Fe127  1  0.300477  0.096410  0.598236  1
  Fe  Fe128  1  0.301294  0.436834  0.542616  1
  Fe  Fe129  1  0.573166  0.944472  0.541166  1
  Fe  Fe130  1  0.573849  0.605418  0.597143  1
  Fe  Fe131  1  0.924830  0.775332  0.569163  1
  Fe  Fe132  1  0.925319  0.114308  0.513565  1
  Fe  Fe133  1  0.425013  0.609419  0.514089  1
  Fe  Fe134  1  0.425670  0.271208  0.569842  1
  Fe  Fe135  1  0.073857  0.100943  0.597533  1
  Fe  Fe136  1  0.073679  0.440468  0.542029  1
  Fe  Fe137  1  0.372918  0.887509  0.550491  1
  Fe  Fe138  1  0.374247  0.547643  0.606498  1
  Fe  Fe139  1  0.125152  0.717975  0.578599  1
  Fe  Fe140  1  0.125343  0.057241  0.522829  1
  Fe  Fe141  1  0.625167  0.667018  0.504723  1
  Fe  Fe142  1  0.625456  0.327669  0.560590  1
  Fe  Fe143  1  0.873599  0.157812  0.588186  1
  Fe  Fe144  1  0.873429  0.497877  0.532594  1
  Fe  Fe145  1  0.698933  0.086197  0.568606  1
  Fe  Fe146  1  0.699100  0.425475  0.513019  1
  Fe  Fe147  1  0.799629  0.718107  0.528049  1
  Fe  Fe148  1  0.800148  0.378846  0.583579  1
  Fe  Fe149  1  0.299876  0.667069  0.555492  1
  Fe  Fe150  1  0.298848  0.327654  0.610690  1
  Fe  Fe151  1  0.198511  0.959561  0.570279  1
  Fe  Fe152  1  0.199160  0.298671  0.514789  1
  Fe  Fe153  1  0.506418  0.828533  0.589347  1
  Fe  Fe154  1  0.507051  0.167759  0.534050  1
  Fe  Fe155  1  0.991993  0.883879  0.522093  1
  Fe  Fe156  1  0.991968  0.544814  0.577861  1
  Fe  Fe157  1  0.491633  0.840089  0.505640  1
  Fe  Fe158  1  0.492557  0.501076  0.561227  1
  Fe  Fe159  1  0.007741  0.877035  0.604952  1
  Fe  Fe160  1  0.006798  0.217424  0.549359  1
  Fe  Fe161  1  0.491014  0.047956  0.577149  1
  Fe  Fe162  1  0.491658  0.387085  0.521627  1
  Fe  Fe163  1  0.006748  0.670284  0.533439  1
  Fe  Fe164  1  0.006835  0.332353  0.588897  1
  Fe  Fe165  1  0.506341  0.714049  0.550054  1
  Fe  Fe166  1  0.506712  0.375764  0.605469  1
  Fe  Fe167  1  0.991835  0.997916  0.561571  1
  Fe  Fe168  1  0.991573  0.337414  0.506118  1
  Fe  Fe169  1  0.791355  0.240915  0.708951  1
  Fe  Fe170  1  0.800713  0.577892  0.652448  1
  Fe  Fe171  1  0.700273  0.209871  0.611228  1
  Fe  Fe172  1  0.701163  0.875221  0.665798  1
  Fe  Fe173  1  0.197881  0.158169  0.638852  1
  Fe  Fe174  1  0.200443  0.819206  0.694193  1
  Fe  Fe175  1  0.299654  0.114745  0.709460  1
  Fe  Fe176  1  0.297115  0.452233  0.653960  1
  Fe  Fe177  1  0.801617  0.271604  0.651610  1
  Fe  Fe178  1  0.798628  0.936742  0.705556  1
  Fe  Fe179  1  0.695701  0.098878  0.678970  1
  Fe  Fe180  1  0.698695  0.439837  0.623998  1
  Fe  Fe181  1  0.197596  0.927037  0.625711  1
  Fe  Fe182  1  0.198331  0.588209  0.680603  1
  Fe  Fe183  1  0.305495  0.423195  0.707256  1
  Fe  Fe184  1  0.301875  0.757549  0.654036  1
  Fe  Fe185  1  0.573936  0.270326  0.651044  1
  Fe  Fe186  1  0.573007  0.930685  0.708961  1
  Fe  Fe187  1  0.916472  0.105354  0.678570  1
  Fe  Fe188  1  0.925349  0.435907  0.625035  1
  Fe  Fe189  1  0.423318  0.931015  0.625283  1
  Fe  Fe190  1  0.427455  0.592539  0.681053  1
  Fe  Fe191  1  0.077320  0.417776  0.709378  1
  Fe  Fe192  1  0.072611  0.760927  0.653241  1
  Fe  Fe193  1  0.372011  0.210757  0.661255  1
  Fe  Fe194  1  0.372622  0.871411  0.717163  1
  Fe  Fe195  1  0.124252  0.036555  0.689730  1
  Fe  Fe196  1  0.125143  0.379022  0.634199  1
  Fe  Fe197  1  0.623632  0.989781  0.615681  1
  Fe  Fe198  1  0.626111  0.649891  0.671607  1
  Fe  Fe199  1  0.873580  0.471303  0.700480  1
  Fe  Fe200  1  0.874131  0.817896  0.643933  1
  Fe  Fe201  1  0.700358  0.408036  0.680196  1
  Fe  Fe202  1  0.699365  0.747714  0.624337  1
  Fe  Fe203  1  0.796918  0.042400  0.638059  1
  Fe  Fe204  1  0.798397  0.708223  0.695352  1
  Fe  Fe205  1  0.299909  0.988588  0.666784  1
  Fe  Fe206  1  0.290678  0.664092  0.723467  1
  Fe  Fe207  1  0.198507  0.280977  0.681456  1
  Fe  Fe208  1  0.200072  0.619545  0.626168  1
  Fe  Fe209  1  0.505695  0.153456  0.701190  1
  Fe  Fe210  1  0.508654  0.490232  0.645417  1
  Fe  Fe211  1  0.991622  0.204639  0.633732  1
  Fe  Fe212  1  0.991003  0.870385  0.688650  1
  Fe  Fe213  1  0.488816  0.163341  0.616642  1
  Fe  Fe214  1  0.489416  0.825851  0.671933  1
  Fe  Fe215  1  0.016883  0.191467  0.717272  1
  Fe  Fe216  1  0.006084  0.540104  0.660827  1
  Fe  Fe217  1  0.494450  0.370539  0.688379  1
  Fe  Fe218  1  0.492977  0.708115  0.632786  1
  Fe  Fe219  1  0.009048  0.992683  0.644169  1
  Fe  Fe220  1  0.013435  0.659210  0.700494  1
  Fe  Fe221  1  0.505113  0.036299  0.660998  1
  Fe  Fe222  1  0.510720  0.700003  0.716682  1
  Fe  Fe223  1  0.992022  0.318429  0.672845  1
  Fe  Fe224  1  0.990477  0.658662  0.617841  1
  C  C225  1  0.922731  0.381644  0.387588  1
  C  C226  1  0.922561  0.723008  0.331818  1
  C  C227  1  0.575882  0.888091  0.304169  1
  C  C228  1  0.577792  0.548635  0.360137  1
  C  C229  1  0.076441  0.206670  0.333300  1
  C  C230  1  0.070184  0.556632  0.278663  1
  C  C231  1  0.420128  0.376052  0.306036  1
  C  C232  1  0.423252  0.037267  0.362425  1
  C  C233  1  0.858915  0.121237  0.383708  1
  C  C234  1  0.861593  0.459748  0.328087  1
  C  C235  1  0.637881  0.151505  0.308302  1
  C  C236  1  0.640676  0.812667  0.364001  1
  C  C237  1  0.137547  0.608007  0.385964  1
  C  C238  1  0.136536  0.942924  0.331678  1
  C  C239  1  0.357291  0.299992  0.365892  1
  C  C240  1  0.360502  0.640071  0.311844  1
  C  C241  1  0.138021  0.469291  0.337770  1
  C  C242  1  0.138503  0.805363  0.283698  1
  C  C243  1  0.361912  0.110772  0.304011  1
  C  C244  1  0.362341  0.776057  0.358475  1
  C  C245  1  0.858090  0.983003  0.336539  1
  C  C246  1  0.855469  0.324086  0.281590  1
  C  C247  1  0.637780  0.289783  0.355937  1
  C  C248  1  0.638092  0.627028  0.301139  1
  C  C249  1  0.922513  0.703539  0.498995  1
  C  C250  1  0.922623  0.043319  0.443412  1
  C  C251  1  0.575808  0.213036  0.415395  1
  C  C252  1  0.576146  0.873008  0.471218  1
  C  C253  1  0.075994  0.529034  0.445552  1
  C  C254  1  0.075402  0.869462  0.390127  1
  C  C255  1  0.422504  0.699018  0.417501  1
  C  C256  1  0.422425  0.359478  0.473268  1
  C  C257  1  0.859354  0.441916  0.495039  1
  C  C258  1  0.859510  0.780871  0.439552  1
  C  C259  1  0.639378  0.472529  0.419666  1
  C  C260  1  0.639515  0.134423  0.475208  1
  C  C261  1  0.139414  0.929474  0.496992  1
  C  C262  1  0.139125  0.268731  0.441381  1
  C  C263  1  0.359391  0.621399  0.477010  1
  C  C264  1  0.359700  0.961002  0.421730  1
  C  C265  1  0.139318  0.791562  0.449369  1
  C  C266  1  0.139095  0.130293  0.393712  1
  C  C267  1  0.358565  0.438145  0.413603  1
  C  C268  1  0.359579  0.099673  0.469216  1
  C  C269  1  0.858958  0.303339  0.447264  1
  C  C270  1  0.860202  0.642469  0.391660  1
  C  C271  1  0.639126  0.610993  0.467164  1
  C  C272  1  0.639471  0.950911  0.411876  1
  C  C273  1  0.923141  0.024319  0.609845  1
  C  C274  1  0.922549  0.364747  0.554420  1
  C  C275  1  0.576118  0.534303  0.526704  1
  C  C276  1  0.576038  0.194763  0.582471  1
  C  C277  1  0.075919  0.850463  0.556560  1
  C  C278  1  0.076030  0.190242  0.500977  1
  C  C279  1  0.422397  0.020773  0.528754  1
  C  C280  1  0.422734  0.680746  0.584577  1
  C  C281  1  0.859447  0.763489  0.606260  1
  C  C282  1  0.859224  0.102219  0.550603  1
  C  C283  1  0.638964  0.794108  0.530756  1
  C  C284  1  0.639978  0.455636  0.586369  1
  C  C285  1  0.138341  0.251312  0.608312  1
  C  C286  1  0.139584  0.590443  0.552707  1
  C  C287  1  0.359072  0.942871  0.588096  1
  C  C288  1  0.359417  0.282788  0.532808  1
  C  C289  1  0.139032  0.112910  0.560420  1
  C  C290  1  0.139189  0.451866  0.504933  1
  C  C291  1  0.359027  0.759358  0.524764  1
  C  C292  1  0.359165  0.421253  0.580306  1
  C  C293  1  0.859417  0.625051  0.558591  1
  C  C294  1  0.859129  0.964307  0.502980  1
  C  C295  1  0.638843  0.932779  0.578242  1
  C  C296  1  0.639151  0.272382  0.522962  1
  C  C297  1  0.928358  0.337149  0.721309  1
  C  C298  1  0.922102  0.687111  0.666672  1
  C  C299  1  0.575290  0.856514  0.637547  1
  C  C300  1  0.578415  0.517729  0.693936  1
  C  C301  1  0.075981  0.170774  0.668154  1
  C  C302  1  0.075812  0.512138  0.612384  1
  C  C303  1  0.420751  0.345146  0.639835  1
  C  C304  1  0.422660  0.005690  0.695803  1
  C  C305  1  0.860040  0.088418  0.716273  1
  C  C306  1  0.860522  0.424491  0.662202  1
  C  C307  1  0.636202  0.117725  0.641497  1
  C  C308  1  0.636630  0.783009  0.695960  1
  C  C309  1  0.143073  0.569695  0.718382  1
  C  C310  1  0.140453  0.910778  0.663433  1
  C  C311  1  0.360451  0.266754  0.698833  1
  C  C312  1  0.360763  0.603999  0.644035  1
  C  C313  1  0.136949  0.434033  0.671885  1
  C  C314  1  0.139627  0.772544  0.616264  1
  C  C315  1  0.357866  0.081114  0.635971  1
  C  C316  1  0.360661  0.742277  0.691670  1
  C  C317  1  0.862006  0.950857  0.668294  1
  C  C318  1  0.860996  0.285774  0.614008  1
  C  C319  1  0.638041  0.253711  0.688128  1
  C  C320  1  0.641251  0.593789  0.634079  1
