# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.86572797
_cell_length_b   14.46614875
_cell_length_c   46.21161818
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.34408663
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe270 C90'
_cell_volume   7918.7814267
_cell_formula_units_Z   90
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  0.421243  0.228779  0.276279  1
  Fe  Fe2  1  0.468191  0.830443  0.335439  1
  Fe  Fe3  1  0.445095  0.530502  0.305320  1
  Fe  Fe4  1  0.754576  0.895444  0.276279  1
  Fe  Fe5  1  0.801524  0.497110  0.335440  1
  Fe  Fe6  1  0.087911  0.562113  0.276279  1
  Fe  Fe7  1  0.778427  0.197169  0.305319  1
  Fe  Fe8  1  0.134858  0.163777  0.335439  1
  Fe  Fe9  1  0.111761  0.863835  0.305319  1
  Fe  Fe10  1  0.327413  0.352118  0.311338  1
  Fe  Fe11  1  0.306387  0.048469  0.281041  1
  Fe  Fe12  1  0.348756  0.656316  0.341915  1
  Fe  Fe13  1  0.660746  0.018785  0.311338  1
  Fe  Fe14  1  0.639720  0.715137  0.281041  1
  Fe  Fe15  1  0.994079  0.685452  0.311338  1
  Fe  Fe16  1  0.682089  0.322983  0.341915  1
  Fe  Fe17  1  0.973053  0.381802  0.281041  1
  Fe  Fe18  1  0.015423  0.989649  0.341915  1
  Fe  Fe19  1  0.479168  0.313339  0.351505  1
  Fe  Fe20  1  0.457245  0.010359  0.321676  1
  Fe  Fe21  1  0.427840  0.717237  0.291944  1
  Fe  Fe22  1  0.812501  0.980005  0.351505  1
  Fe  Fe23  1  0.790577  0.677026  0.321676  1
  Fe  Fe24  1  0.145835  0.646672  0.351505  1
  Fe  Fe25  1  0.761174  0.383904  0.291944  1
  Fe  Fe26  1  0.123912  0.343693  0.321675  1
  Fe  Fe27  1  0.094507  0.050571  0.291944  1
  Fe  Fe28  1  0.202688  0.208162  0.286828  1
  Fe  Fe29  1  0.248317  0.815049  0.347447  1
  Fe  Fe30  1  0.225641  0.515595  0.316603  1
  Fe  Fe31  1  0.536021  0.874829  0.286828  1
  Fe  Fe32  1  0.581650  0.481714  0.347448  1
  Fe  Fe33  1  0.869358  0.541495  0.286827  1
  Fe  Fe34  1  0.558976  0.182262  0.316603  1
  Fe  Fe35  1  0.914984  0.148382  0.347447  1
  Fe  Fe36  1  0.892308  0.848928  0.316603  1
  Fe  Fe37  1  0.337659  0.172300  0.324855  1
  Fe  Fe38  1  0.317848  0.866297  0.294959  1
  Fe  Fe39  1  0.357468  0.476601  0.355087  1
  Fe  Fe40  1  0.670992  0.838966  0.324855  1
  Fe  Fe41  1  0.651180  0.532963  0.294959  1
  Fe  Fe42  1  0.004325  0.505633  0.324855  1
  Fe  Fe43  1  0.690801  0.143267  0.355087  1
  Fe  Fe44  1  0.984515  0.199630  0.294959  1
  Fe  Fe45  1  0.024133  0.809934  0.355087  1
  Fe  Fe46  1  0.256632  0.303792  0.359262  1
  Fe  Fe47  1  0.234269  1.001705  0.328616  1
  Fe  Fe48  1  0.207203  0.698069  0.297940  1
  Fe  Fe49  1  0.589967  0.970460  0.359262  1
  Fe  Fe50  1  0.567603  0.668372  0.328615  1
  Fe  Fe51  1  0.923300  0.637127  0.359262  1
  Fe  Fe52  1  0.540538  0.364735  0.297940  1
  Fe  Fe53  1  0.900936  0.335038  0.328616  1
  Fe  Fe54  1  0.873870  0.031403  0.297940  1
  Fe  Fe55  1  0.489574  0.131123  0.364573  1
  Fe  Fe56  1  0.532987  0.736672  0.425470  1
  Fe  Fe57  1  0.511296  0.434020  0.395005  1
  Fe  Fe58  1  0.822908  0.797790  0.364573  1
  Fe  Fe59  1  0.866321  0.403339  0.425470  1
  Fe  Fe60  1  0.156242  0.464456  0.364573  1
  Fe  Fe61  1  0.844630  0.100687  0.395005  1
  Fe  Fe62  1  0.199654  0.070005  0.425470  1
  Fe  Fe63  1  0.177963  0.767354  0.395005  1
  Fe  Fe64  1  0.393253  0.259781  0.402296  1
  Fe  Fe65  1  0.371784  0.957361  0.372100  1
  Fe  Fe66  1  0.414769  0.562258  0.432630  1
  Fe  Fe67  1  0.726587  0.926448  0.402296  1
  Fe  Fe68  1  0.705117  0.624028  0.372101  1
  Fe  Fe69  1  0.059920  0.593115  0.402296  1
  Fe  Fe70  1  0.748103  0.228925  0.432631  1
  Fe  Fe71  1  0.038451  0.290694  0.372100  1
  Fe  Fe72  1  0.081436  0.895591  0.432630  1
  Fe  Fe73  1  0.545358  0.219480  0.442400  1
  Fe  Fe74  1  0.523890  0.916810  0.412055  1
  Fe  Fe75  1  0.502538  0.614056  0.381964  1
  Fe  Fe76  1  0.878692  0.886147  0.442400  1
  Fe  Fe77  1  0.857223  0.583477  0.412055  1
  Fe  Fe78  1  0.212025  0.552814  0.442400  1
  Fe  Fe79  1  0.835871  0.280723  0.381965  1
  Fe  Fe80  1  0.190557  0.250143  0.412055  1
  Fe  Fe81  1  0.169204  0.947389  0.381965  1
  Fe  Fe82  1  0.270531  0.118570  0.377879  1
  Fe  Fe83  1  0.313457  0.723452  0.438501  1
  Fe  Fe84  1  0.291994  0.420835  0.408350  1
  Fe  Fe85  1  0.603865  0.785237  0.377879  1
  Fe  Fe86  1  0.646790  0.390119  0.438501  1
  Fe  Fe87  1  0.937198  0.451903  0.377879  1
  Fe  Fe88  1  0.625327  0.087501  0.408350  1
  Fe  Fe89  1  0.980123  0.056785  0.438501  1
  Fe  Fe90  1  0.958661  0.754168  0.408350  1
  Fe  Fe91  1  0.402398  0.079909  0.415973  1
  Fe  Fe92  1  0.380988  0.777175  0.385639  1
  Fe  Fe93  1  0.424255  0.382280  0.446294  1
  Fe  Fe94  1  0.735732  0.746576  0.415973  1
  Fe  Fe95  1  0.714321  0.443842  0.385639  1
  Fe  Fe96  1  0.069064  0.413242  0.415973  1
  Fe  Fe97  1  0.757588  0.048946  0.446294  1
  Fe  Fe98  1  0.047655  0.110508  0.385639  1
  Fe  Fe99  1  0.090921  0.715613  0.446294  1
  Fe  Fe100  1  0.321713  0.211938  0.450119  1
  Fe  Fe101  1  0.300061  0.909203  0.419839  1
  Fe  Fe102  1  0.278380  0.606580  0.389469  1
  Fe  Fe103  1  0.655047  0.878604  0.450119  1
  Fe  Fe104  1  0.633394  0.575869  0.419839  1
  Fe  Fe105  1  0.988380  0.545271  0.450119  1
  Fe  Fe106  1  0.611714  0.273247  0.389469  1
  Fe  Fe107  1  0.966728  0.242536  0.419839  1
  Fe  Fe108  1  0.945047  0.939913  0.389469  1
  Fe  Fe109  1  0.554565  0.039368  0.455759  1
  Fe  Fe110  1  0.597895  0.644268  0.516336  1
  Fe  Fe111  1  0.576086  0.341594  0.486010  1
  Fe  Fe112  1  0.887899  0.706035  0.455760  1
  Fe  Fe113  1  0.931229  0.310935  0.516336  1
  Fe  Fe114  1  0.221232  0.372701  0.455759  1
  Fe  Fe115  1  0.909419  0.008261  0.486010  1
  Fe  Fe116  1  0.264562  0.977601  0.516336  1
  Fe  Fe117  1  0.242752  0.674928  0.486010  1
  Fe  Fe118  1  0.457543  0.167477  0.493413  1
  Fe  Fe119  1  0.436057  0.864826  0.463074  1
  Fe  Fe120  1  0.479254  0.469897  0.523737  1
  Fe  Fe121  1  0.790877  0.834143  0.493413  1
  Fe  Fe122  1  0.769390  0.531492  0.463074  1
  Fe  Fe123  1  0.124210  0.500810  0.493413  1
  Fe  Fe124  1  0.812587  0.136564  0.523737  1
  Fe  Fe125  1  0.102724  0.198159  0.463074  1
  Fe  Fe126  1  0.145921  0.803230  0.523737  1
  Fe  Fe127  1  0.610152  0.127091  0.533416  1
  Fe  Fe128  1  0.588109  0.824387  0.502990  1
  Fe  Fe129  1  0.567023  0.521918  0.472761  1
  Fe  Fe130  1  0.943485  0.793758  0.533416  1
  Fe  Fe131  1  0.921442  0.491053  0.502990  1
  Fe  Fe132  1  0.276819  0.460425  0.533416  1
  Fe  Fe133  1  0.900356  0.188585  0.472761  1
  Fe  Fe134  1  0.254776  0.157720  0.502990  1
  Fe  Fe135  1  0.233689  0.855252  0.472761  1
  Fe  Fe136  1  0.334970  0.026035  0.468812  1
  Fe  Fe137  1  0.378151  0.630811  0.529524  1
  Fe  Fe138  1  0.356589  0.328451  0.499133  1
  Fe  Fe139  1  0.668304  0.692701  0.468813  1
  Fe  Fe140  1  0.711485  0.297478  0.529524  1
  Fe  Fe141  1  0.001637  0.359368  0.468812  1
  Fe  Fe142  1  0.689923  0.995118  0.499132  1
  Fe  Fe143  1  0.044818  0.964145  0.529524  1
  Fe  Fe144  1  0.023256  0.661785  0.499132  1
  Fe  Fe145  1  0.467324  0.987370  0.506940  1
  Fe  Fe146  1  0.445517  0.684760  0.476594  1
  Fe  Fe147  1  0.488868  0.289800  0.537255  1
  Fe  Fe148  1  0.800657  0.654037  0.506940  1
  Fe  Fe149  1  0.778851  0.351427  0.476594  1
  Fe  Fe150  1  0.133990  0.320704  0.506940  1
  Fe  Fe151  1  0.822201  0.956467  0.537255  1
  Fe  Fe152  1  0.112184  0.018094  0.476594  1
  Fe  Fe153  1  0.155535  0.623134  0.537255  1
  Fe  Fe154  1  0.386429  0.119118  0.540989  1
  Fe  Fe155  1  0.364934  0.816781  0.510845  1
  Fe  Fe156  1  0.343282  0.514239  0.480467  1
  Fe  Fe157  1  0.719762  0.785785  0.540989  1
  Fe  Fe158  1  0.698267  0.483448  0.510845  1
  Fe  Fe159  1  0.053096  0.452452  0.540989  1
  Fe  Fe160  1  0.676616  0.180906  0.480467  1
  Fe  Fe161  1  0.031601  0.150115  0.510845  1
  Fe  Fe162  1  0.009949  0.847573  0.480467  1
  Fe  Fe163  1  0.619374  0.946657  0.546644  1
  Fe  Fe164  1  0.662165  0.551283  0.607278  1
  Fe  Fe165  1  0.641191  0.249302  0.577025  1
  Fe  Fe166  1  0.952707  0.613324  0.546644  1
  Fe  Fe167  1  0.995499  0.217949  0.607278  1
  Fe  Fe168  1  0.286041  0.279990  0.546644  1
  Fe  Fe169  1  0.974524  0.915969  0.577025  1
  Fe  Fe170  1  0.328832  0.884616  0.607278  1
  Fe  Fe171  1  0.307857  0.582635  0.577025  1
  Fe  Fe172  1  0.522510  0.075325  0.584339  1
  Fe  Fe173  1  0.500461  0.772062  0.554068  1
  Fe  Fe174  1  0.543748  0.376722  0.614773  1
  Fe  Fe175  1  0.855844  0.741992  0.584339  1
  Fe  Fe176  1  0.833794  0.438729  0.554068  1
  Fe  Fe177  1  0.189177  0.408659  0.584339  1
  Fe  Fe178  1  0.877082  0.043389  0.614773  1
  Fe  Fe179  1  0.167127  0.105395  0.554068  1
  Fe  Fe180  1  0.210415  0.710056  0.614773  1
  Fe  Fe181  1  0.674769  0.034465  0.624317  1
  Fe  Fe182  1  0.653199  0.732082  0.594035  1
  Fe  Fe183  1  0.631426  0.429514  0.563663  1
  Fe  Fe184  1  0.008102  0.701132  0.624317  1
  Fe  Fe185  1  0.986532  0.398749  0.594035  1
  Fe  Fe186  1  0.341435  0.367798  0.624317  1
  Fe  Fe187  1  0.964759  0.096181  0.563663  1
  Fe  Fe188  1  0.319865  0.065415  0.594035  1
  Fe  Fe189  1  0.298093  0.762847  0.563663  1
  Fe  Fe190  1  0.399647  0.933692  0.559805  1
  Fe  Fe191  1  0.443208  0.538398  0.620509  1
  Fe  Fe192  1  0.421382  0.235626  0.589959  1
  Fe  Fe193  1  0.732980  0.600359  0.559805  1
  Fe  Fe194  1  0.776541  0.205065  0.620509  1
  Fe  Fe195  1  0.066314  0.267026  0.559805  1
  Fe  Fe196  1  0.754716  0.902292  0.589959  1
  Fe  Fe197  1  0.109874  0.871731  0.620509  1
  Fe  Fe198  1  0.088049  0.568959  0.589959  1
  Fe  Fe199  1  0.531323  0.894306  0.597684  1
  Fe  Fe200  1  0.511016  0.592542  0.567722  1
  Fe  Fe201  1  0.554104  0.197617  0.628300  1
  Fe  Fe202  1  0.864656  0.560972  0.597684  1
  Fe  Fe203  1  0.844350  0.259209  0.567722  1
  Fe  Fe204  1  0.197989  0.227639  0.597684  1
  Fe  Fe205  1  0.887438  0.864284  0.628300  1
  Fe  Fe206  1  0.177683  0.925875  0.567722  1
  Fe  Fe207  1  0.220771  0.530950  0.628300  1
  Fe  Fe208  1  0.451251  0.027342  0.632490  1
  Fe  Fe209  1  0.429687  0.724126  0.601676  1
  Fe  Fe210  1  0.408176  0.421767  0.571488  1
  Fe  Fe211  1  0.784585  0.694009  0.632490  1
  Fe  Fe212  1  0.763021  0.390792  0.601676  1
  Fe  Fe213  1  0.117918  0.360675  0.632490  1
  Fe  Fe214  1  0.741509  0.088434  0.571488  1
  Fe  Fe215  1  0.096354  0.057459  0.601676  1
  Fe  Fe216  1  0.074843  0.755101  0.571488  1
  Fe  Fe217  1  0.685132  0.855429  0.637346  1
  Fe  Fe218  1  0.724223  0.455465  0.697795  1
  Fe  Fe219  1  0.706999  0.156575  0.668017  1
  Fe  Fe220  1  0.018465  0.522096  0.637346  1
  Fe  Fe221  1  0.057556  0.122132  0.697795  1
  Fe  Fe222  1  0.351799  0.188762  0.637346  1
  Fe  Fe223  1  0.040332  0.823241  0.668017  1
  Fe  Fe224  1  0.390890  0.788799  0.697795  1
  Fe  Fe225  1  0.373665  0.489908  0.668017  1
  Fe  Fe226  1  0.587105  0.986603  0.674561  1
  Fe  Fe227  1  0.565437  0.679893  0.645221  1
  Fe  Fe228  1  0.610855  0.286862  0.705506  1
  Fe  Fe229  1  0.920439  0.653270  0.674561  1
  Fe  Fe230  1  0.898770  0.346559  0.645221  1
  Fe  Fe231  1  0.253772  0.319937  0.674561  1
  Fe  Fe232  1  0.944188  0.953529  0.705506  1
  Fe  Fe233  1  0.232103  0.013226  0.645221  1
  Fe  Fe234  1  0.277522  0.620196  0.705506  1
  Fe  Fe235  1  0.730946  0.935211  0.712880  1
  Fe  Fe236  1  0.716448  0.638448  0.683720  1
  Fe  Fe237  1  0.695947  0.337077  0.654855  1
  Fe  Fe238  1  0.064280  0.601878  0.712880  1
  Fe  Fe239  1  0.049781  0.305115  0.683720  1
  Fe  Fe240  1  0.397613  0.268544  0.712880  1
  Fe  Fe241  1  0.029281  0.003744  0.654855  1
  Fe  Fe242  1  0.383114  0.971782  0.683720  1
  Fe  Fe243  1  0.362614  0.670410  0.654855  1
  Fe  Fe244  1  0.463698  0.841527  0.650708  1
  Fe  Fe245  1  0.512031  0.442292  0.711163  1
  Fe  Fe246  1  0.487635  0.141735  0.681038  1
  Fe  Fe247  1  0.797032  0.508194  0.650708  1
  Fe  Fe248  1  0.845365  0.108958  0.711163  1
  Fe  Fe249  1  0.130365  0.174860  0.650708  1
  Fe  Fe250  1  0.820968  0.808401  0.681038  1
  Fe  Fe251  1  0.178698  0.775625  0.711163  1
  Fe  Fe252  1  0.154302  0.475068  0.681038  1
  Fe  Fe253  1  0.598262  0.804507  0.689359  1
  Fe  Fe254  1  0.576892  0.500094  0.658770  1
  Fe  Fe255  1  0.621487  0.105259  0.719288  1
  Fe  Fe256  1  0.931596  0.471174  0.689359  1
  Fe  Fe257  1  0.910225  0.166761  0.658770  1
  Fe  Fe258  1  0.264929  0.137840  0.689359  1
  Fe  Fe259  1  0.954821  0.771926  0.719288  1
  Fe  Fe260  1  0.243558  0.833428  0.658770  1
  Fe  Fe261  1  0.288154  0.438593  0.719288  1
  Fe  Fe262  1  0.519617  0.929458  0.721602  1
  Fe  Fe263  1  0.494687  0.630840  0.692455  1
  Fe  Fe264  1  0.473034  0.327989  0.662204  1
  Fe  Fe265  1  0.852950  0.596124  0.721602  1
  Fe  Fe266  1  0.828020  0.297507  0.692455  1
  Fe  Fe267  1  0.186283  0.262791  0.721602  1
  Fe  Fe268  1  0.806367  0.994656  0.662204  1
  Fe  Fe269  1  0.161353  0.964173  0.692455  1
  Fe  Fe270  1  0.139700  0.661322  0.662204  1
  C  C271  1  0.298997  0.309388  0.272503  1
  C  C272  1  0.348349  0.913866  0.333160  1
  C  C273  1  0.326180  0.614764  0.302741  1
  C  C274  1  0.632330  0.976055  0.272503  1
  C  C275  1  0.681682  0.580533  0.333160  1
  C  C276  1  0.965665  0.642722  0.272502  1
  C  C277  1  0.659514  0.281430  0.302741  1
  C  C278  1  0.015015  0.247199  0.333160  1
  C  C279  1  0.992847  0.948097  0.302741  1
  C  C280  1  0.434930  0.115971  0.297599  1
  C  C281  1  0.479108  0.721001  0.358570  1
  C  C282  1  0.455331  0.420064  0.328038  1
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  C  C359  1  0.407663  0.683941  0.722617  1
  C  C360  1  0.384504  0.382030  0.691871  1
