# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.47062703
_cell_length_b   11.66673596
_cell_length_c   47.85428991
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   142.31207618
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe216 C108'
_cell_volume   6304.47736798
_cell_formula_units_Z   108
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  0.148078  0.179213  0.307118  1
  Fe  Fe2  1  0.814744  0.179213  0.307118  1
  Fe  Fe3  1  0.790876  0.785434  0.289113  1
  Fe  Fe4  1  0.481411  0.179213  0.307118  1
  Fe  Fe5  1  0.457543  0.785434  0.289113  1
  Fe  Fe6  1  0.426914  0.395926  0.277930  1
  Fe  Fe7  1  0.124210  0.785434  0.289113  1
  Fe  Fe8  1  0.093581  0.395926  0.277930  1
  Fe  Fe9  1  0.760248  0.395926  0.277930  1
  Fe  Fe10  1  0.031353  0.179224  0.307131  1
  Fe  Fe11  1  0.698019  0.179224  0.307131  1
  Fe  Fe12  1  0.661428  0.785482  0.289113  1
  Fe  Fe13  1  0.364686  0.179224  0.307131  1
  Fe  Fe14  1  0.328094  0.785482  0.289113  1
  Fe  Fe15  1  0.302496  0.395907  0.277906  1
  Fe  Fe16  1  0.994761  0.785482  0.289113  1
  Fe  Fe17  1  0.969163  0.395907  0.277906  1
  Fe  Fe18  1  0.635829  0.395907  0.277906  1
  Fe  Fe19  1  0.252667  0.393059  0.345582  1
  Fe  Fe20  1  0.919333  0.393059  0.345582  1
  Fe  Fe21  1  0.881817  0.985690  0.333415  1
  Fe  Fe22  1  0.586000  0.393059  0.345582  1
  Fe  Fe23  1  0.548484  0.985690  0.333415  1
  Fe  Fe24  1  0.516029  0.584187  0.320192  1
  Fe  Fe25  1  0.215150  0.985690  0.333415  1
  Fe  Fe26  1  0.182696  0.584187  0.320192  1
  Fe  Fe27  1  0.849363  0.584187  0.320192  1
  Fe  Fe28  1  0.140559  0.393106  0.345579  1
  Fe  Fe29  1  0.807225  0.393106  0.345579  1
  Fe  Fe30  1  0.770711  0.985723  0.333411  1
  Fe  Fe31  1  0.473892  0.393106  0.345579  1
  Fe  Fe32  1  0.437378  0.985723  0.333411  1
  Fe  Fe33  1  0.401666  0.584168  0.320185  1
  Fe  Fe34  1  0.104044  0.985723  0.333411  1
  Fe  Fe35  1  0.068333  0.584168  0.320185  1
  Fe  Fe36  1  0.734999  0.584168  0.320185  1
  Fe  Fe37  1  0.363048  0.614386  0.382765  1
  Fe  Fe38  1  0.029714  0.614386  0.382765  1
  Fe  Fe39  1  0.992487  0.207256  0.370197  1
  Fe  Fe40  1  0.696381  0.614386  0.382765  1
  Fe  Fe41  1  0.659154  0.207256  0.370197  1
  Fe  Fe42  1  0.622758  0.801174  0.358262  1
  Fe  Fe43  1  0.325820  0.207256  0.370197  1
  Fe  Fe44  1  0.289425  0.801174  0.358262  1
  Fe  Fe45  1  0.956092  0.801174  0.358262  1
  Fe  Fe46  1  0.251454  0.614385  0.382765  1
  Fe  Fe47  1  0.918121  0.614385  0.382765  1
  Fe  Fe48  1  0.881547  0.207224  0.370198  1
  Fe  Fe49  1  0.584788  0.614385  0.382765  1
  Fe  Fe50  1  0.548214  0.207224  0.370198  1
  Fe  Fe51  1  0.511884  0.801182  0.358261  1
  Fe  Fe52  1  0.214881  0.207224  0.370198  1
  Fe  Fe53  1  0.178551  0.801182  0.358261  1
  Fe  Fe54  1  0.845218  0.801182  0.358261  1
  Fe  Fe55  1  0.473311  0.835095  0.419601  1
  Fe  Fe56  1  0.139978  0.835095  0.419601  1
  Fe  Fe57  1  0.102838  0.427993  0.407082  1
  Fe  Fe58  1  0.806645  0.835095  0.419601  1
  Fe  Fe59  1  0.769504  0.427993  0.407082  1
  Fe  Fe60  1  0.732994  0.021818  0.394757  1
  Fe  Fe61  1  0.436171  0.427993  0.407082  1
  Fe  Fe62  1  0.399661  0.021818  0.394757  1
  Fe  Fe63  1  0.066328  0.021818  0.394757  1
  Fe  Fe64  1  0.361864  0.835111  0.419598  1
  Fe  Fe65  1  0.028531  0.835111  0.419598  1
  Fe  Fe66  1  0.991916  0.427984  0.407083  1
  Fe  Fe67  1  0.695197  0.835111  0.419598  1
  Fe  Fe68  1  0.658583  0.427984  0.407083  1
  Fe  Fe69  1  0.622283  0.021840  0.394755  1
  Fe  Fe70  1  0.325250  0.427984  0.407083  1
  Fe  Fe71  1  0.288950  0.021840  0.394755  1
  Fe  Fe72  1  0.955617  0.021840  0.394755  1
  Fe  Fe73  1  0.583623  0.056045  0.456604  1
  Fe  Fe74  1  0.250290  0.056045  0.456604  1
  Fe  Fe75  1  0.213279  0.648838  0.444185  1
  Fe  Fe76  1  0.916956  0.056045  0.456604  1
  Fe  Fe77  1  0.879946  0.648838  0.444185  1
  Fe  Fe78  1  0.843352  0.242420  0.431709  1
  Fe  Fe79  1  0.546613  0.648838  0.444185  1
  Fe  Fe80  1  0.510019  0.242420  0.431709  1
  Fe  Fe81  1  0.176685  0.242420  0.431709  1
  Fe  Fe82  1  0.472495  0.056091  0.456597  1
  Fe  Fe83  1  0.139162  0.056091  0.456597  1
  Fe  Fe84  1  0.102308  0.648854  0.444183  1
  Fe  Fe85  1  0.805828  0.056091  0.456597  1
  Fe  Fe86  1  0.768975  0.648854  0.444183  1
  Fe  Fe87  1  0.732499  0.242447  0.431706  1
  Fe  Fe88  1  0.435641  0.648854  0.444183  1
  Fe  Fe89  1  0.399166  0.242447  0.431706  1
  Fe  Fe90  1  0.065832  0.242447  0.431706  1
  Fe  Fe91  1  0.694009  0.276841  0.493551  1
  Fe  Fe92  1  0.360676  0.276841  0.493551  1
  Fe  Fe93  1  0.323794  0.869768  0.481287  1
  Fe  Fe94  1  0.027342  0.276841  0.493551  1
  Fe  Fe95  1  0.990461  0.869768  0.481287  1
  Fe  Fe96  1  0.953715  0.462873  0.468894  1
  Fe  Fe97  1  0.657127  0.869768  0.481287  1
  Fe  Fe98  1  0.620381  0.462873  0.468894  1
  Fe  Fe99  1  0.287048  0.462873  0.468894  1
  Fe  Fe100  1  0.582859  0.276867  0.493548  1
  Fe  Fe101  1  0.249526  0.276867  0.493548  1
  Fe  Fe102  1  0.212681  0.869803  0.481283  1
  Fe  Fe103  1  0.916192  0.276867  0.493548  1
  Fe  Fe104  1  0.879348  0.869803  0.481283  1
  Fe  Fe105  1  0.842547  0.462913  0.468889  1
  Fe  Fe106  1  0.546015  0.869803  0.481283  1
  Fe  Fe107  1  0.509214  0.462913  0.468889  1
  Fe  Fe108  1  0.175880  0.462913  0.468889  1
  Fe  Fe109  1  0.804399  0.497631  0.530585  1
  Fe  Fe110  1  0.471065  0.497631  0.530585  1
  Fe  Fe111  1  0.434264  0.090741  0.518191  1
  Fe  Fe112  1  0.137732  0.497631  0.530585  1
  Fe  Fe113  1  0.100931  0.090741  0.518191  1
  Fe  Fe114  1  0.064087  0.683677  0.505927  1
  Fe  Fe115  1  0.767598  0.090741  0.518191  1
  Fe  Fe116  1  0.730754  0.683677  0.505927  1
  Fe  Fe117  1  0.397420  0.683677  0.505927  1
  Fe  Fe118  1  0.693231  0.497671  0.530580  1
  Fe  Fe119  1  0.359898  0.497671  0.530580  1
  Fe  Fe120  1  0.323152  0.090777  0.518187  1
  Fe  Fe121  1  0.026564  0.497671  0.530580  1
  Fe  Fe122  1  0.989818  0.090777  0.518187  1
  Fe  Fe123  1  0.952937  0.683703  0.505923  1
  Fe  Fe124  1  0.656485  0.090777  0.518187  1
  Fe  Fe125  1  0.619604  0.683703  0.505923  1
  Fe  Fe126  1  0.286270  0.683703  0.505923  1
  Fe  Fe127  1  0.914447  0.718097  0.567769  1
  Fe  Fe128  1  0.581114  0.718097  0.567769  1
  Fe  Fe129  1  0.544638  0.311690  0.555291  1
  Fe  Fe130  1  0.247780  0.718097  0.567769  1
  Fe  Fe131  1  0.211304  0.311690  0.555291  1
  Fe  Fe132  1  0.174451  0.904453  0.542878  1
  Fe  Fe133  1  0.877971  0.311690  0.555291  1
  Fe  Fe134  1  0.841118  0.904453  0.542878  1
  Fe  Fe135  1  0.507784  0.904453  0.542878  1
  Fe  Fe136  1  0.803594  0.718124  0.567765  1
  Fe  Fe137  1  0.470260  0.718124  0.567765  1
  Fe  Fe138  1  0.433666  0.311706  0.555289  1
  Fe  Fe139  1  0.136927  0.718124  0.567765  1
  Fe  Fe140  1  0.100333  0.311706  0.555289  1
  Fe  Fe141  1  0.063323  0.904499  0.542871  1
  Fe  Fe142  1  0.767000  0.311706  0.555289  1
  Fe  Fe143  1  0.729989  0.904499  0.542871  1
  Fe  Fe144  1  0.396656  0.904499  0.542871  1
  Fe  Fe145  1  0.024662  0.938704  0.604719  1
  Fe  Fe146  1  0.691329  0.938704  0.604719  1
  Fe  Fe147  1  0.655030  0.532560  0.592391  1
  Fe  Fe148  1  0.357996  0.938704  0.604719  1
  Fe  Fe149  1  0.321696  0.532560  0.592391  1
  Fe  Fe150  1  0.285082  0.125433  0.579876  1
  Fe  Fe151  1  0.988363  0.532560  0.592391  1
  Fe  Fe152  1  0.951748  0.125433  0.579876  1
  Fe  Fe153  1  0.618415  0.125433  0.579876  1
  Fe  Fe154  1  0.913951  0.938726  0.604717  1
  Fe  Fe155  1  0.580618  0.938726  0.604717  1
  Fe  Fe156  1  0.544108  0.532551  0.592392  1
  Fe  Fe157  1  0.247285  0.938726  0.604717  1
  Fe  Fe158  1  0.210775  0.532551  0.592392  1
  Fe  Fe159  1  0.173634  0.125449  0.579874  1
  Fe  Fe160  1  0.877441  0.532551  0.592392  1
  Fe  Fe161  1  0.840301  0.125449  0.579874  1
  Fe  Fe162  1  0.506968  0.125449  0.579874  1
  Fe  Fe163  1  0.135062  0.159362  0.641213  1
  Fe  Fe164  1  0.801728  0.159362  0.641213  1
  Fe  Fe165  1  0.765398  0.753320  0.629276  1
  Fe  Fe166  1  0.468395  0.159362  0.641213  1
  Fe  Fe167  1  0.432065  0.753320  0.629276  1
  Fe  Fe168  1  0.395491  0.346159  0.616709  1
  Fe  Fe169  1  0.098732  0.753320  0.629276  1
  Fe  Fe170  1  0.062158  0.346159  0.616709  1
  Fe  Fe171  1  0.728825  0.346159  0.616709  1
  Fe  Fe172  1  0.024188  0.159370  0.641212  1
  Fe  Fe173  1  0.690854  0.159370  0.641212  1
  Fe  Fe174  1  0.654459  0.753288  0.629277  1
  Fe  Fe175  1  0.357521  0.159370  0.641212  1
  Fe  Fe176  1  0.321125  0.753288  0.629277  1
  Fe  Fe177  1  0.283898  0.346159  0.616709  1
  Fe  Fe178  1  0.987792  0.753288  0.629277  1
  Fe  Fe179  1  0.950565  0.346159  0.616709  1
  Fe  Fe180  1  0.617231  0.346159  0.616709  1
  Fe  Fe181  1  0.245280  0.376376  0.679289  1
  Fe  Fe182  1  0.911946  0.376376  0.679289  1
  Fe  Fe183  1  0.876235  0.974822  0.666063  1
  Fe  Fe184  1  0.578613  0.376376  0.679289  1
  Fe  Fe185  1  0.542902  0.974822  0.666063  1
  Fe  Fe186  1  0.506387  0.567439  0.653895  1
  Fe  Fe187  1  0.209568  0.974822  0.666063  1
  Fe  Fe188  1  0.173054  0.567439  0.653895  1
  Fe  Fe189  1  0.839721  0.567439  0.653895  1
  Fe  Fe190  1  0.130916  0.376357  0.679282  1
  Fe  Fe191  1  0.797583  0.376357  0.679282  1
  Fe  Fe192  1  0.765129  0.974854  0.666059  1
  Fe  Fe193  1  0.464250  0.376357  0.679282  1
  Fe  Fe194  1  0.431795  0.974854  0.666059  1
  Fe  Fe195  1  0.394279  0.567486  0.653893  1
  Fe  Fe196  1  0.098462  0.974854  0.666059  1
  Fe  Fe197  1  0.060946  0.567486  0.653893  1
  Fe  Fe198  1  0.727613  0.567486  0.653893  1
  Fe  Fe199  1  0.344450  0.564637  0.721569  1
  Fe  Fe200  1  0.011117  0.564637  0.721569  1
  Fe  Fe201  1  0.985518  0.175063  0.710361  1
  Fe  Fe202  1  0.677783  0.564637  0.721569  1
  Fe  Fe203  1  0.652185  0.175063  0.710361  1
  Fe  Fe204  1  0.615593  0.781320  0.692343  1
  Fe  Fe205  1  0.318851  0.175063  0.710361  1
  Fe  Fe206  1  0.282260  0.781320  0.692343  1
  Fe  Fe207  1  0.948927  0.781320  0.692343  1
  Fe  Fe208  1  0.220031  0.564618  0.721545  1
  Fe  Fe209  1  0.886698  0.564618  0.721545  1
  Fe  Fe210  1  0.856070  0.175110  0.710361  1
  Fe  Fe211  1  0.553365  0.564618  0.721545  1
  Fe  Fe212  1  0.522736  0.175110  0.710361  1
  Fe  Fe213  1  0.498868  0.781331  0.692356  1
  Fe  Fe214  1  0.189403  0.175110  0.710361  1
  Fe  Fe215  1  0.165535  0.781331  0.692356  1
  Fe  Fe216  1  0.832201  0.781331  0.692356  1
  C  C217  1  0.179358  0.358536  0.283823  1
  C  C218  1  0.846024  0.358536  0.283823  1
  C  C219  1  0.918021  0.169179  0.308678  1
  C  C220  1  0.512691  0.358536  0.283823  1
  C  C221  1  0.584687  0.169179  0.308678  1
  C  C222  1  0.551216  0.768914  0.296812  1
  C  C223  1  0.251354  0.169179  0.308678  1
  C  C224  1  0.217883  0.768914  0.296812  1
  C  C225  1  0.884550  0.768914  0.296812  1
  C  C226  1  0.288535  0.576887  0.321747  1
  C  C227  1  0.955202  0.576887  0.321747  1
  C  C228  1  0.031228  0.395643  0.345125  1
  C  C229  1  0.621868  0.576887  0.321747  1
  C  C230  1  0.697895  0.395643  0.345125  1
  C  C231  1  0.660461  0.987454  0.332838  1
  C  C232  1  0.364562  0.395643  0.345125  1
  C  C233  1  0.327128  0.987454  0.332838  1
  C  C234  1  0.993795  0.987454  0.332838  1
  C  C235  1  0.400073  0.800001  0.358076  1
  C  C236  1  0.066740  0.800001  0.358076  1
  C  C237  1  0.140664  0.614550  0.382314  1
  C  C238  1  0.733406  0.800001  0.358076  1
  C  C239  1  0.807330  0.614550  0.382314  1
  C  C240  1  0.771069  0.208669  0.369620  1
  C  C241  1  0.473997  0.614550  0.382314  1
  C  C242  1  0.437736  0.208669  0.369620  1
  C  C243  1  0.104403  0.208669  0.369620  1
  C  C244  1  0.510649  0.021186  0.394996  1
  C  C245  1  0.177315  0.021186  0.394996  1
  C  C246  1  0.250977  0.835208  0.419703  1
  C  C247  1  0.843982  0.021186  0.394996  1
  C  C248  1  0.917644  0.835208  0.419703  1
  C  C249  1  0.880940  0.428444  0.407180  1
  C  C250  1  0.584311  0.835208  0.419703  1
  C  C251  1  0.547607  0.428444  0.407180  1
  C  C252  1  0.214274  0.428444  0.407180  1
  C  C253  1  0.621000  0.241920  0.431864  1
  C  C254  1  0.287667  0.241920  0.431864  1
  C  C255  1  0.361417  0.056119  0.456515  1
  C  C256  1  0.954334  0.241920  0.431864  1
  C  C257  1  0.028084  0.056119  0.456515  1
  C  C258  1  0.991188  0.648978  0.444272  1
  C  C259  1  0.694751  0.056119  0.456515  1
  C  C260  1  0.657855  0.648978  0.444272  1
  C  C261  1  0.324522  0.648978  0.444272  1
  C  C262  1  0.731469  0.462896  0.468845  1
  C  C263  1  0.398136  0.462896  0.468845  1
  C  C264  1  0.471798  0.276917  0.493528  1
  C  C265  1  0.064803  0.462896  0.468845  1
  C  C266  1  0.138465  0.276917  0.493528  1
  C  C267  1  0.101556  0.869751  0.481224  1
  C  C268  1  0.805132  0.276917  0.493528  1
  C  C269  1  0.768223  0.869751  0.481224  1
  C  C270  1  0.434889  0.869751  0.481224  1
  C  C271  1  0.841814  0.683628  0.505946  1
  C  C272  1  0.508481  0.683628  0.505946  1
  C  C273  1  0.582143  0.497649  0.530629  1
  C  C274  1  0.175147  0.683628  0.505946  1
  C  C275  1  0.248810  0.497649  0.530629  1
  C  C276  1  0.212056  0.090793  0.518251  1
  C  C277  1  0.915477  0.497649  0.530629  1
  C  C278  1  0.878723  0.090793  0.518251  1
  C  C279  1  0.545390  0.090793  0.518251  1
  C  C280  1  0.952195  0.904425  0.542959  1
  C  C281  1  0.618862  0.904425  0.542959  1
  C  C282  1  0.692612  0.718625  0.567611  1
  C  C283  1  0.285529  0.904425  0.542959  1
  C  C284  1  0.359279  0.718625  0.567611  1
  C  C285  1  0.322424  0.311567  0.555202  1
  C  C286  1  0.025945  0.718625  0.567611  1
  C  C287  1  0.989091  0.311567  0.555202  1
  C  C288  1  0.655758  0.311567  0.555202  1
  C  C289  1  0.062635  0.125336  0.579771  1
  C  C290  1  0.729302  0.125336  0.579771  1
  C  C291  1  0.802964  0.939358  0.604478  1
  C  C292  1  0.395968  0.125336  0.579771  1
  C  C293  1  0.469630  0.939358  0.604478  1
  C  C294  1  0.432672  0.532100  0.592294  1
  C  C295  1  0.136297  0.939358  0.604478  1
  C  C296  1  0.099339  0.532100  0.592294  1
  C  C297  1  0.766006  0.532100  0.592294  1
  C  C298  1  0.172949  0.345994  0.617160  1
  C  C299  1  0.839615  0.345994  0.617160  1
  C  C300  1  0.913539  0.160543  0.641398  1
  C  C301  1  0.506282  0.345994  0.617160  1
  C  C302  1  0.580206  0.160543  0.641398  1
  C  C303  1  0.542543  0.751875  0.629855  1
  C  C304  1  0.246873  0.160543  0.641398  1
  C  C305  1  0.209210  0.751875  0.629855  1
  C  C306  1  0.875877  0.751875  0.629855  1
  C  C307  1  0.282384  0.564901  0.654350  1
  C  C308  1  0.949051  0.564901  0.654350  1
  C  C309  1  0.025078  0.383658  0.677728  1
  C  C310  1  0.615718  0.564901  0.654350  1
  C  C311  1  0.691744  0.383658  0.677728  1
  C  C312  1  0.653151  0.973090  0.666636  1
  C  C313  1  0.358411  0.383658  0.677728  1
  C  C314  1  0.319818  0.973090  0.666636  1
  C  C315  1  0.986484  0.973090  0.666636  1
  C  C316  1  0.395592  0.791365  0.690796  1
  C  C317  1  0.062259  0.791365  0.690796  1
  C  C318  1  0.134255  0.602008  0.715652  1
  C  C319  1  0.728925  0.791365  0.690796  1
  C  C320  1  0.800921  0.602008  0.715652  1
  C  C321  1  0.762396  0.191631  0.702663  1
  C  C322  1  0.467588  0.602008  0.715652  1
  C  C323  1  0.429063  0.191631  0.702663  1
  C  C324  1  0.095729  0.191631  0.702663  1
