# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.51359796
_cell_length_b   10.04721782
_cell_length_c   45.53101203
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   55.40957069
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe198 C99'
_cell_volume   5842.34878285
_cell_formula_units_Z   99
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  0.584768  0.892667  0.285568  1
  Fe  Fe2  1  0.918795  0.559920  0.287661  1
  Fe  Fe3  1  0.818823  0.858270  0.296698  1
  Fe  Fe4  1  0.216138  0.855687  0.288970  1
  Fe  Fe5  1  0.548696  0.522819  0.289921  1
  Fe  Fe6  1  0.879943  0.190469  0.289373  1
  Fe  Fe7  1  0.245922  0.235025  0.286119  1
  Fe  Fe8  1  0.161627  0.536388  0.290262  1
  Fe  Fe9  1  0.496528  0.166153  0.300491  1
  Fe  Fe10  1  0.450799  0.866512  0.280432  1
  Fe  Fe11  1  0.780363  0.543053  0.280873  1
  Fe  Fe12  1  0.713100  0.792598  0.316872  1
  Fe  Fe13  1  0.066587  0.844146  0.292711  1
  Fe  Fe14  1  0.403454  0.506911  0.294488  1
  Fe  Fe15  1  0.732617  0.179550  0.295183  1
  Fe  Fe16  1  0.113513  0.207516  0.281145  1
  Fe  Fe17  1  0.063162  0.462698  0.314627  1
  Fe  Fe18  1  0.377181  0.126365  0.316197  1
  Fe  Fe19  1  0.453111  0.766509  0.324385  1
  Fe  Fe20  1  0.785527  0.434333  0.324423  1
  Fe  Fe21  1  0.693586  0.680120  0.352121  1
  Fe  Fe22  1  0.069592  0.729010  0.332890  1
  Fe  Fe23  1  0.400834  0.390912  0.336935  1
  Fe  Fe24  1  0.735198  0.060819  0.337512  1
  Fe  Fe25  1  0.119272  0.101590  0.324273  1
  Fe  Fe26  1  0.026840  0.350624  0.350273  1
  Fe  Fe27  1  0.360950  0.012972  0.351927  1
  Fe  Fe28  1  0.320663  0.753269  0.329036  1
  Fe  Fe29  1  0.653684  0.419664  0.329360  1
  Fe  Fe30  1  0.566262  0.665452  0.356668  1
  Fe  Fe31  1  0.927435  0.718272  0.337231  1
  Fe  Fe32  1  0.255533  0.396189  0.336080  1
  Fe  Fe33  1  0.597751  0.051348  0.338400  1
  Fe  Fe34  1  0.986721  0.086160  0.329032  1
  Fe  Fe35  1  0.899781  0.332547  0.356601  1
  Fe  Fe36  1  0.233066  0.999153  0.356543  1
  Fe  Fe37  1  0.312553  0.638527  0.365171  1
  Fe  Fe38  1  0.647208  0.303223  0.365441  1
  Fe  Fe39  1  0.556664  0.549488  0.391961  1
  Fe  Fe40  1  0.935888  0.594411  0.377903  1
  Fe  Fe41  1  0.270764  0.262761  0.376918  1
  Fe  Fe42  1  0.602343  0.928905  0.377911  1
  Fe  Fe43  1  0.981062  0.967425  0.365171  1
  Fe  Fe44  1  0.890019  0.215969  0.391885  1
  Fe  Fe45  1  0.223015  0.883242  0.391779  1
  Fe  Fe46  1  0.184402  0.624686  0.368739  1
  Fe  Fe47  1  0.521228  0.287401  0.369544  1
  Fe  Fe48  1  0.430363  0.535692  0.396411  1
  Fe  Fe49  1  0.809671  0.576892  0.383142  1
  Fe  Fe50  1  0.143373  0.242466  0.382801  1
  Fe  Fe51  1  0.476643  0.911162  0.382824  1
  Fe  Fe52  1  0.855023  0.954170  0.369687  1
  Fe  Fe53  1  0.763944  0.202039  0.396488  1
  Fe  Fe54  1  0.097164  0.868679  0.396249  1
  Fe  Fe55  1  0.179229  0.505560  0.405601  1
  Fe  Fe56  1  0.511319  0.172433  0.405173  1
  Fe  Fe57  1  0.420815  0.418664  0.431745  1
  Fe  Fe58  1  0.799502  0.461690  0.418340  1
  Fe  Fe59  1  0.132728  0.128133  0.418206  1
  Fe  Fe60  1  0.466048  0.795232  0.418165  1
  Fe  Fe61  1  0.845014  0.839546  0.406012  1
  Fe  Fe62  1  0.754335  0.085802  0.432037  1
  Fe  Fe63  1  0.087702  0.752409  0.432042  1
  Fe  Fe64  1  0.051269  0.489782  0.410251  1
  Fe  Fe65  1  0.384963  0.158173  0.409302  1
  Fe  Fe66  1  0.295138  0.403770  0.436295  1
  Fe  Fe67  1  0.673208  0.447444  0.422769  1
  Fe  Fe68  1  0.006667  0.114061  0.422639  1
  Fe  Fe69  1  0.339747  0.781222  0.422673  1
  Fe  Fe70  1  0.717903  0.824397  0.410037  1
  Fe  Fe71  1  0.627548  0.071211  0.436428  1
  Fe  Fe72  1  0.961067  0.737727  0.436770  1
  Fe  Fe73  1  0.042185  0.373522  0.445088  1
  Fe  Fe74  1  0.375627  0.041316  0.444837  1
  Fe  Fe75  1  0.284827  0.287558  0.471560  1
  Fe  Fe76  1  0.663313  0.331189  0.458217  1
  Fe  Fe77  1  0.996719  0.997778  0.458224  1
  Fe  Fe78  1  0.329922  0.664637  0.458193  1
  Fe  Fe79  1  0.708932  0.707362  0.445028  1
  Fe  Fe80  1  0.618016  0.954196  0.471617  1
  Fe  Fe81  1  0.951617  0.620200  0.471620  1
  Fe  Fe82  1  0.915985  0.360160  0.449208  1
  Fe  Fe83  1  0.249217  0.026806  0.449237  1
  Fe  Fe84  1  0.158618  0.273021  0.475937  1
  Fe  Fe85  1  0.537082  0.316676  0.462706  1
  Fe  Fe86  1  0.870724  0.983149  0.462782  1
  Fe  Fe87  1  0.204137  0.649623  0.462741  1
  Fe  Fe88  1  0.582500  0.693530  0.449281  1
  Fe  Fe89  1  0.491715  0.939808  0.475942  1
  Fe  Fe90  1  0.825319  0.606191  0.475911  1
  Fe  Fe91  1  0.906199  0.244100  0.484825  1
  Fe  Fe92  1  0.239453  0.910725  0.484802  1
  Fe  Fe93  1  0.148808  0.157018  0.511402  1
  Fe  Fe94  1  0.527063  0.200897  0.498218  1
  Fe  Fe95  1  0.860684  0.867361  0.498219  1
  Fe  Fe96  1  0.194012  0.533918  0.498206  1
  Fe  Fe97  1  0.572748  0.577482  0.484814  1
  Fe  Fe98  1  0.481987  0.823769  0.511401  1
  Fe  Fe99  1  0.815429  0.490419  0.511387  1
  Fe  Fe100  1  0.779524  0.229538  0.489317  1
  Fe  Fe101  1  0.112954  0.896100  0.489321  1
  Fe  Fe102  1  0.022226  0.142428  0.515920  1
  Fe  Fe103  1  0.400984  0.186152  0.502612  1
  Fe  Fe104  1  0.734267  0.852758  0.502634  1
  Fe  Fe105  1  0.067877  0.519214  0.502583  1
  Fe  Fe106  1  0.446106  0.562946  0.489321  1
  Fe  Fe107  1  0.355460  0.809198  0.515898  1
  Fe  Fe108  1  0.688767  0.475786  0.515891  1
  Fe  Fe109  1  0.769708  0.113856  0.524913  1
  Fe  Fe110  1  0.103236  0.780327  0.524925  1
  Fe  Fe111  1  0.012424  0.026500  0.551584  1
  Fe  Fe112  1  0.391051  0.070171  0.538016  1
  Fe  Fe113  1  0.724491  0.736745  0.537963  1
  Fe  Fe114  1  0.057976  0.403368  0.537986  1
  Fe  Fe115  1  0.436305  0.447042  0.524917  1
  Fe  Fe116  1  0.345619  0.693030  0.551614  1
  Fe  Fe117  1  0.678883  0.359805  0.551578  1
  Fe  Fe118  1  0.643320  0.099456  0.529302  1
  Fe  Fe119  1  0.976877  0.765890  0.529283  1
  Fe  Fe120  1  0.886065  0.012499  0.555893  1
  Fe  Fe121  1  0.264967  0.055324  0.542478  1
  Fe  Fe122  1  0.598128  0.721958  0.542434  1
  Fe  Fe123  1  0.931614  0.388570  0.542451  1
  Fe  Fe124  1  0.310159  0.432598  0.529295  1
  Fe  Fe125  1  0.219503  0.678963  0.555964  1
  Fe  Fe126  1  0.552657  0.345850  0.555912  1
  Fe  Fe127  1  0.633570  0.982707  0.564458  1
  Fe  Fe128  1  0.967118  0.649264  0.564491  1
  Fe  Fe129  1  0.877490  0.894612  0.591025  1
  Fe  Fe130  1  0.255186  0.938624  0.578098  1
  Fe  Fe131  1  0.588412  0.605309  0.578033  1
  Fe  Fe132  1  0.921884  0.272026  0.578020  1
  Fe  Fe133  1  0.300184  0.316028  0.564544  1
  Fe  Fe134  1  0.210641  0.561332  0.591192  1
  Fe  Fe135  1  0.543989  0.228029  0.591045  1
  Fe  Fe136  1  0.507351  0.968111  0.568932  1
  Fe  Fe137  1  0.840873  0.634673  0.568884  1
  Fe  Fe138  1  0.750292  0.880492  0.595158  1
  Fe  Fe139  1  0.129103  0.925048  0.582565  1
  Fe  Fe140  1  0.462297  0.591723  0.582512  1
  Fe  Fe141  1  0.795649  0.258593  0.582431  1
  Fe  Fe142  1  0.174277  0.301324  0.568986  1
  Fe  Fe143  1  0.083699  0.547130  0.595350  1
  Fe  Fe144  1  0.416839  0.213769  0.595272  1
  Fe  Fe145  1  0.498049  0.851135  0.604302  1
  Fe  Fe146  1  0.831419  0.517833  0.604252  1
  Fe  Fe147  1  0.740859  0.766350  0.630913  1
  Fe  Fe148  1  0.119368  0.809368  0.617885  1
  Fe  Fe149  1  0.452543  0.476353  0.617845  1
  Fe  Fe150  1  0.786018  0.143003  0.617669  1
  Fe  Fe151  1  0.164769  0.184434  0.604391  1
  Fe  Fe152  1  0.074410  0.432560  0.631177  1
  Fe  Fe153  1  0.407727  0.099293  0.631082  1
  Fe  Fe154  1  0.372179  0.836921  0.608803  1
  Fe  Fe155  1  0.705460  0.503855  0.608711  1
  Fe  Fe156  1  0.614899  0.749254  0.635113  1
  Fe  Fe157  1  0.992990  0.789260  0.623536  1
  Fe  Fe158  1  0.326110  0.456099  0.623580  1
  Fe  Fe159  1  0.659547  0.122890  0.623314  1
  Fe  Fe160  1  0.038878  0.170488  0.608774  1
  Fe  Fe161  1  0.948354  0.415530  0.635074  1
  Fe  Fe162  1  0.281583  0.082699  0.635272  1
  Fe  Fe163  1  0.362245  0.722686  0.644197  1
  Fe  Fe164  1  0.695694  0.389678  0.644057  1
  Fe  Fe165  1  0.608411  0.635890  0.671473  1
  Fe  Fe166  1  0.002844  0.669722  0.665335  1
  Fe  Fe167  1  0.336765  0.336768  0.665578  1
  Fe  Fe168  1  0.669883  0.003760  0.665223  1
  Fe  Fe169  1  0.029108  0.056025  0.644071  1
  Fe  Fe170  1  0.941665  0.302208  0.671455  1
  Fe  Fe171  1  0.275164  0.969528  0.671588  1
  Fe  Fe172  1  0.235880  0.703332  0.650285  1
  Fe  Fe173  1  0.569109  0.370615  0.650118  1
  Fe  Fe174  1  0.476379  0.621941  0.676507  1
  Fe  Fe175  1  0.860896  0.662693  0.662937  1
  Fe  Fe176  1  0.194815  0.329597  0.663584  1
  Fe  Fe177  1  0.528567  0.995375  0.663010  1
  Fe  Fe178  1  0.902784  0.037307  0.649892  1
  Fe  Fe179  1  0.809882  0.288797  0.676387  1
  Fe  Fe180  1  0.143268  0.955384  0.676379  1
  Fe  Fe181  1  0.197787  0.596640  0.686762  1
  Fe  Fe182  1  0.531607  0.264621  0.686534  1
  Fe  Fe183  1  0.482961  0.510043  0.719437  1
  Fe  Fe184  1  0.860231  0.544599  0.705591  1
  Fe  Fe185  1  0.194472  0.216368  0.706042  1
  Fe  Fe186  1  0.528742  0.878212  0.705363  1
  Fe  Fe187  1  0.865517  0.931456  0.686252  1
  Fe  Fe188  1  0.815075  0.178754  0.719516  1
  Fe  Fe189  1  0.146973  0.851956  0.719854  1
  Fe  Fe190  1  0.095953  0.527314  0.710655  1
  Fe  Fe191  1  0.437037  0.186122  0.710017  1
  Fe  Fe192  1  0.343602  0.494463  0.712928  1
  Fe  Fe193  1  0.714282  0.533299  0.711086  1
  Fe  Fe194  1  0.046388  0.201452  0.711394  1
  Fe  Fe195  1  0.381466  0.866234  0.711226  1
  Fe  Fe196  1  0.766465  0.861256  0.710166  1
  Fe  Fe197  1  0.676520  0.161069  0.712871  1
  Fe  Fe198  1  0.010369  0.826531  0.713115  1
  C  C199  1  0.335345  0.864805  0.295044  1
  C  C200  1  0.668714  0.530715  0.295217  1
  C  C201  1  0.579311  0.774598  0.320865  1
  C  C202  1  0.946759  0.837534  0.305990  1
  C  C203  1  0.288656  0.496588  0.306404  1
  C  C204  1  0.620105  0.162826  0.306878  1
  C  C205  1  0.001417  0.194401  0.294755  1
  C  C206  1  0.033976  0.570386  0.276083  1
  C  C207  1  0.374240  0.227623  0.278108  1
  C  C208  1  0.197014  0.740382  0.333954  1
  C  C209  1  0.530324  0.404716  0.334864  1
  C  C210  1  0.439074  0.650898  0.360436  1
  C  C211  1  0.817406  0.695278  0.348934  1
  C  C212  1  0.151549  0.361014  0.348356  1
  C  C213  1  0.486688  0.026097  0.347256  1
  C  C214  1  0.864094  0.071617  0.334703  1
  C  C215  1  0.911347  0.440029  0.320908  1
  C  C216  1  0.247739  0.105731  0.320576  1
  C  C217  1  0.061741  0.604005  0.376389  1
  C  C218  1  0.394979  0.275969  0.374165  1
  C  C219  1  0.304218  0.520814  0.400273  1
  C  C220  1  0.683085  0.564008  0.387056  1
  C  C221  1  0.016266  0.230547  0.386802  1
  C  C222  1  0.349806  0.897680  0.386901  1
  C  C223  1  0.730988  0.938743  0.375593  1
  C  C224  1  0.773173  0.317739  0.360601  1
  C  C225  1  0.105207  0.986003  0.360083  1
  C  C226  1  0.926211  0.476583  0.413675  1
  C  C227  1  0.259332  0.143416  0.413863  1
  C  C228  1  0.168748  0.388835  0.440339  1
  C  C229  1  0.546770  0.433056  0.427281  1
  C  C230  1  0.880518  0.099704  0.427279  1
  C  C231  1  0.213466  0.766321  0.427158  1
  C  C232  1  0.592451  0.810219  0.413940  1
  C  C233  1  0.637516  0.186539  0.400371  1
  C  C234  1  0.971051  0.852806  0.400449  1
  C  C235  1  0.789811  0.345744  0.453912  1
  C  C236  1  0.123060  0.012334  0.453879  1
  C  C237  1  0.032375  0.258173  0.480406  1
  C  C238  1  0.410869  0.302122  0.467216  1
  C  C239  1  0.744000  0.968938  0.467431  1
  C  C240  1  0.077788  0.635221  0.467354  1
  C  C241  1  0.456276  0.679226  0.453880  1
  C  C242  1  0.501580  0.055955  0.440489  1
  C  C243  1  0.834923  0.722523  0.440627  1
  C  C244  1  0.653359  0.215276  0.493888  1
  C  C245  1  0.986890  0.881847  0.493942  1
  C  C246  1  0.895982  0.128183  0.520352  1
  C  C247  1  0.274886  0.171445  0.506938  1
  C  C248  1  0.608112  0.838179  0.506951  1
  C  C249  1  0.941554  0.504750  0.506963  1
  C  C250  1  0.320127  0.548569  0.493853  1
  C  C251  1  0.365630  0.925209  0.480357  1
  C  C252  1  0.698966  0.591753  0.480402  1
  C  C253  1  0.517289  0.084596  0.533518  1
  C  C254  1  0.850785  0.751219  0.533477  1
  C  C255  1  0.759980  0.997550  0.560320  1
  C  C256  1  0.138737  0.040884  0.546846  1
  C  C257  1  0.471889  0.707600  0.546823  1
  C  C258  1  0.805274  0.374307  0.546792  1
  C  C259  1  0.184117  0.417908  0.533540  1
  C  C260  1  0.229307  0.794834  0.520382  1
  C  C261  1  0.562509  0.461561  0.520345  1
  C  C262  1  0.381451  0.953566  0.573417  1
  C  C263  1  0.714777  0.620329  0.573328  1
  C  C264  1  0.623954  0.866179  0.600008  1
  C  C265  1  0.002706  0.909591  0.587111  1
  C  C266  1  0.335862  0.576173  0.587228  1
  C  C267  1  0.669174  0.242931  0.587163  1
  C  C268  1  0.048321  0.286947  0.573391  1
  C  C269  1  0.093364  0.664199  0.560405  1
  C  C270  1  0.426511  0.330906  0.560420  1
  C  C271  1  0.245668  0.821671  0.614063  1
  C  C272  1  0.578841  0.488427  0.614018  1
  C  C273  1  0.489519  0.735482  0.640347  1
  C  C274  1  0.866534  0.778920  0.626311  1
  C  C275  1  0.200002  0.445282  0.626536  1
  C  C276  1  0.533181  0.112376  0.626358  1
  C  C277  1  0.912265  0.155033  0.613956  1
  C  C278  1  0.957415  0.532801  0.600061  1
  C  C279  1  0.290583  0.199471  0.600230  1
  C  C280  1  0.111713  0.692831  0.652447  1
  C  C281  1  0.445321  0.359287  0.652216  1
  C  C282  1  0.349566  0.617948  0.679891  1
  C  C283  1  0.731604  0.651193  0.665826  1
  C  C284  1  0.064801  0.317384  0.666077  1
  C  C285  1  0.398069  0.984119  0.665898  1
  C  C286  1  0.778508  0.026580  0.652069  1
  C  C287  1  0.822821  0.402260  0.640264  1
  C  C288  1  0.156424  0.068709  0.640430  1
  C  C289  1  0.974052  0.557194  0.693429  1
  C  C290  1  0.311275  0.220940  0.693892  1
  C  C291  1  0.222789  0.492774  0.725756  1
  C  C292  1  0.593985  0.525999  0.705902  1
  C  C293  1  0.927075  0.191947  0.705846  1
  C  C294  1  0.260181  0.861591  0.705989  1
  C  C295  1  0.643455  0.888978  0.693536  1
  C  C296  1  0.683553  0.283897  0.679634  1
  C  C297  1  0.016763  0.950891  0.679800  1
