# generated using pymatgen
data_Fe4C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.05561921
_cell_length_b   12.05363817
_cell_length_c   48.35069640
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4C
_chemical_formula_sum   'Fe216 C54'
_cell_volume   6990.81812371
_cell_formula_units_Z   54
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  0.007020  0.340524  0.317153  1
  Fe  Fe2  1  0.340353  0.007191  0.317153  1
  Fe  Fe3  1  0.308983  0.309146  0.341017  1
  Fe  Fe4  1  0.673686  0.673857  0.317153  1
  Fe  Fe5  1  0.642317  0.975812  0.341017  1
  Fe  Fe6  1  0.700570  0.367406  0.294442  1
  Fe  Fe7  1  0.975650  0.642479  0.341017  1
  Fe  Fe8  1  0.033903  0.034072  0.294442  1
  Fe  Fe9  1  0.367236  0.700739  0.294442  1
  Fe  Fe10  1  0.042622  0.540337  0.297874  1
  Fe  Fe11  1  0.375956  0.207004  0.297874  1
  Fe  Fe12  1  0.338273  0.515037  0.321703  1
  Fe  Fe13  1  0.709289  0.873671  0.297874  1
  Fe  Fe14  1  0.671606  0.181704  0.321703  1
  Fe  Fe15  1  0.636170  0.483515  0.344798  1
  Fe  Fe16  1  0.004940  0.848371  0.321703  1
  Fe  Fe17  1  0.969504  0.150182  0.344798  1
  Fe  Fe18  1  0.302837  0.816848  0.344798  1
  Fe  Fe19  1  0.152701  0.486168  0.343322  1
  Fe  Fe20  1  0.486034  0.152835  0.343322  1
  Fe  Fe21  1  0.547297  0.547443  0.297285  1
  Fe  Fe22  1  0.819368  0.819502  0.343322  1
  Fe  Fe23  1  0.880630  0.214110  0.297285  1
  Fe  Fe24  1  0.851915  0.518721  0.319332  1
  Fe  Fe25  1  0.213964  0.880776  0.297285  1
  Fe  Fe26  1  0.185249  0.185387  0.319332  1
  Fe  Fe27  1  0.518582  0.852054  0.319332  1
  Fe  Fe28  1  0.206865  0.376123  0.297878  1
  Fe  Fe29  1  0.540199  0.042789  0.297878  1
  Fe  Fe30  1  0.514902  0.338423  0.321706  1
  Fe  Fe31  1  0.873532  0.709456  0.297878  1
  Fe  Fe32  1  0.848235  0.005090  0.321706  1
  Fe  Fe33  1  0.816716  0.302993  0.344802  1
  Fe  Fe34  1  0.181569  0.671757  0.321706  1
  Fe  Fe35  1  0.150050  0.969660  0.344802  1
  Fe  Fe36  1  0.483383  0.636326  0.344802  1
  Fe  Fe37  1  0.914271  0.247764  0.388934  1
  Fe  Fe38  1  0.247605  0.914431  0.388934  1
  Fe  Fe39  1  0.217655  0.217814  0.412751  1
  Fe  Fe40  1  0.580938  0.581098  0.388934  1
  Fe  Fe41  1  0.550988  0.884481  0.412751  1
  Fe  Fe42  1  0.611872  0.278699  0.364778  1
  Fe  Fe43  1  0.884322  0.551147  0.412751  1
  Fe  Fe44  1  0.945206  0.945366  0.364778  1
  Fe  Fe45  1  0.278539  0.612032  0.364778  1
  Fe  Fe46  1  0.939831  0.453940  0.369236  1
  Fe  Fe47  1  0.273165  0.120606  0.369236  1
  Fe  Fe48  1  0.242847  0.423273  0.392806  1
  Fe  Fe49  1  0.606498  0.787273  0.369236  1
  Fe  Fe50  1  0.576180  0.089940  0.392806  1
  Fe  Fe51  1  0.545877  0.392983  0.416515  1
  Fe  Fe52  1  0.909514  0.756606  0.392806  1
  Fe  Fe53  1  0.879211  0.059650  0.416515  1
  Fe  Fe54  1  0.212544  0.726317  0.416515  1
  Fe  Fe55  1  0.062227  0.395690  0.414747  1
  Fe  Fe56  1  0.395560  0.062357  0.414747  1
  Fe  Fe57  1  0.455896  0.456027  0.366493  1
  Fe  Fe58  1  0.728894  0.729023  0.414747  1
  Fe  Fe59  1  0.789229  0.122694  0.366493  1
  Fe  Fe60  1  0.759274  0.426071  0.390814  1
  Fe  Fe61  1  0.122563  0.789361  0.366493  1
  Fe  Fe62  1  0.092607  0.092738  0.390814  1
  Fe  Fe63  1  0.425940  0.759404  0.390814  1
  Fe  Fe64  1  0.120477  0.273315  0.369240  1
  Fe  Fe65  1  0.453810  0.939982  0.369240  1
  Fe  Fe66  1  0.423146  0.242995  0.392810  1
  Fe  Fe67  1  0.787144  0.606648  0.369240  1
  Fe  Fe68  1  0.756479  0.909661  0.392810  1
  Fe  Fe69  1  0.726189  0.212691  0.416518  1
  Fe  Fe70  1  0.089812  0.576328  0.392810  1
  Fe  Fe71  1  0.059523  0.879358  0.416518  1
  Fe  Fe72  1  0.392856  0.546024  0.416518  1
  Fe  Fe73  1  0.823716  0.157207  0.460310  1
  Fe  Fe74  1  0.157050  0.823874  0.460310  1
  Fe  Fe75  1  0.127039  0.127196  0.484234  1
  Fe  Fe76  1  0.490383  0.490540  0.460310  1
  Fe  Fe77  1  0.460372  0.793862  0.484234  1
  Fe  Fe78  1  0.520774  0.187599  0.436429  1
  Fe  Fe79  1  0.793705  0.460529  0.484234  1
  Fe  Fe80  1  0.854107  0.854265  0.436429  1
  Fe  Fe81  1  0.187441  0.520932  0.436429  1
  Fe  Fe82  1  0.848601  0.362954  0.440397  1
  Fe  Fe83  1  0.181935  0.029621  0.440397  1
  Fe  Fe84  1  0.151903  0.332549  0.464300  1
  Fe  Fe85  1  0.515268  0.696287  0.440397  1
  Fe  Fe86  1  0.485237  0.999216  0.464300  1
  Fe  Fe87  1  0.455178  0.302319  0.488075  1
  Fe  Fe88  1  0.818570  0.665883  0.464300  1
  Fe  Fe89  1  0.788512  0.968985  0.488075  1
  Fe  Fe90  1  0.121845  0.635652  0.488075  1
  Fe  Fe91  1  0.971664  0.305125  0.486094  1
  Fe  Fe92  1  0.304997  0.971792  0.486094  1
  Fe  Fe93  1  0.365411  0.365540  0.438359  1
  Fe  Fe94  1  0.638331  0.638458  0.486094  1
  Fe  Fe95  1  0.698745  0.032207  0.438359  1
  Fe  Fe96  1  0.668455  0.335250  0.462119  1
  Fe  Fe97  1  0.032078  0.698874  0.438359  1
  Fe  Fe98  1  0.001788  0.001917  0.462119  1
  Fe  Fe99  1  0.335122  0.668583  0.462119  1
  Fe  Fe100  1  0.029495  0.182081  0.440401  1
  Fe  Fe101  1  0.362828  0.848748  0.440401  1
  Fe  Fe102  1  0.332424  0.152049  0.464304  1
  Fe  Fe103  1  0.696161  0.515414  0.440401  1
  Fe  Fe104  1  0.665757  0.818716  0.464304  1
  Fe  Fe105  1  0.635527  0.121990  0.488079  1
  Fe  Fe106  1  0.999091  0.485382  0.464304  1
  Fe  Fe107  1  0.968860  0.788657  0.488079  1
  Fe  Fe108  1  0.302193  0.455323  0.488079  1
  Fe  Fe109  1  0.732905  0.066395  0.531655  1
  Fe  Fe110  1  0.066238  0.733061  0.531655  1
  Fe  Fe111  1  0.036029  0.036184  0.555541  1
  Fe  Fe112  1  0.399572  0.399728  0.531655  1
  Fe  Fe113  1  0.369362  0.702851  0.555541  1
  Fe  Fe114  1  0.430013  0.096836  0.507952  1
  Fe  Fe115  1  0.702695  0.369518  0.555541  1
  Fe  Fe116  1  0.763347  0.763503  0.507952  1
  Fe  Fe117  1  0.096680  0.430170  0.507952  1
  Fe  Fe118  1  0.758098  0.272278  0.511810  1
  Fe  Fe119  1  0.091432  0.938945  0.511810  1
  Fe  Fe120  1  0.061091  0.241913  0.535761  1
  Fe  Fe121  1  0.424765  0.605612  0.511810  1
  Fe  Fe122  1  0.394425  0.908579  0.535761  1
  Fe  Fe123  1  0.364399  0.211173  0.559689  1
  Fe  Fe124  1  0.727758  0.575246  0.535761  1
  Fe  Fe125  1  0.697733  0.877840  0.559689  1
  Fe  Fe126  1  0.031066  0.544507  0.559689  1
  Fe  Fe127  1  0.880825  0.214285  0.557465  1
  Fe  Fe128  1  0.214159  0.880951  0.557465  1
  Fe  Fe129  1  0.274698  0.274826  0.509900  1
  Fe  Fe130  1  0.547492  0.547618  0.557465  1
  Fe  Fe131  1  0.608032  0.941493  0.509900  1
  Fe  Fe132  1  0.577587  0.244381  0.533607  1
  Fe  Fe133  1  0.941365  0.608159  0.509900  1
  Fe  Fe134  1  0.910920  0.911048  0.533607  1
  Fe  Fe135  1  0.244254  0.577715  0.533607  1
  Fe  Fe136  1  0.938820  0.091576  0.511814  1
  Fe  Fe137  1  0.272153  0.758243  0.511814  1
  Fe  Fe138  1  0.241789  0.061235  0.535765  1
  Fe  Fe139  1  0.605487  0.424909  0.511814  1
  Fe  Fe140  1  0.575122  0.727902  0.535765  1
  Fe  Fe141  1  0.544383  0.031209  0.559693  1
  Fe  Fe142  1  0.908455  0.394568  0.535765  1
  Fe  Fe143  1  0.877717  0.697876  0.559693  1
  Fe  Fe144  1  0.211050  0.364543  0.559693  1
  Fe  Fe145  1  0.642160  0.975647  0.603137  1
  Fe  Fe146  1  0.975493  0.642313  0.603137  1
  Fe  Fe147  1  0.943993  0.944144  0.626455  1
  Fe  Fe148  1  0.308827  0.308980  0.603137  1
  Fe  Fe149  1  0.277326  0.610811  0.626455  1
  Fe  Fe150  1  0.339622  0.006443  0.579790  1
  Fe  Fe151  1  0.610660  0.277478  0.626455  1
  Fe  Fe152  1  0.672955  0.673110  0.579790  1
  Fe  Fe153  1  0.006288  0.339777  0.579790  1
  Fe  Fe154  1  0.667359  0.181038  0.583269  1
  Fe  Fe155  1  0.000692  0.847705  0.583269  1
  Fe  Fe156  1  0.970308  0.151440  0.607078  1
  Fe  Fe157  1  0.334025  0.514372  0.583269  1
  Fe  Fe158  1  0.303641  0.818107  0.607078  1
  Fe  Fe159  1  0.272527  0.120600  0.631054  1
  Fe  Fe160  1  0.636975  0.484773  0.607078  1
  Fe  Fe161  1  0.605860  0.787267  0.631054  1
  Fe  Fe162  1  0.939193  0.453934  0.631054  1
  Fe  Fe163  1  0.789398  0.122854  0.628693  1
  Fe  Fe164  1  0.122731  0.789520  0.628693  1
  Fe  Fe165  1  0.183765  0.183890  0.581513  1
  Fe  Fe166  1  0.456064  0.456187  0.628693  1
  Fe  Fe167  1  0.517098  0.850556  0.581513  1
  Fe  Fe168  1  0.487000  0.153791  0.605160  1
  Fe  Fe169  1  0.850431  0.517223  0.581513  1
  Fe  Fe170  1  0.820333  0.820458  0.605160  1
  Fe  Fe171  1  0.153666  0.487125  0.605160  1
  Fe  Fe172  1  0.847582  0.000835  0.583272  1
  Fe  Fe173  1  0.180915  0.667502  0.583272  1
  Fe  Fe174  1  0.151319  0.970450  0.607081  1
  Fe  Fe175  1  0.514248  0.334168  0.583272  1
  Fe  Fe176  1  0.484652  0.637116  0.607081  1
  Fe  Fe177  1  0.453814  0.939333  0.631058  1
  Fe  Fe178  1  0.817985  0.303783  0.607081  1
  Fe  Fe179  1  0.787148  0.605999  0.631058  1
  Fe  Fe180  1  0.120481  0.272666  0.631058  1
  Fe  Fe181  1  0.550609  0.884088  0.673865  1
  Fe  Fe182  1  0.883942  0.550755  0.673865  1
  Fe  Fe183  1  0.855933  0.856072  0.699648  1
  Fe  Fe184  1  0.217275  0.217421  0.673865  1
  Fe  Fe185  1  0.189266  0.522739  0.699648  1
  Fe  Fe186  1  0.247907  0.914724  0.651033  1
  Fe  Fe187  1  0.522599  0.189405  0.699648  1
  Fe  Fe188  1  0.581240  0.581391  0.651033  1
  Fe  Fe189  1  0.914574  0.248058  0.651033  1
  Fe  Fe190  1  0.577463  0.086880  0.655787  1
  Fe  Fe191  1  0.910796  0.753546  0.655787  1
  Fe  Fe192  1  0.879899  0.061394  0.678311  1
  Fe  Fe193  1  0.244130  0.420213  0.655787  1
  Fe  Fe194  1  0.213232  0.728061  0.678311  1
  Fe  Fe195  1  0.179971  0.030668  0.701287  1
  Fe  Fe196  1  0.546565  0.394727  0.678311  1
  Fe  Fe197  1  0.513305  0.697335  0.701287  1
  Fe  Fe198  1  0.846638  0.364001  0.701287  1
  Fe  Fe199  1  0.703452  0.036925  0.699512  1
  Fe  Fe200  1  0.036786  0.703591  0.699512  1
  Fe  Fe201  1  0.091542  0.091661  0.652810  1
  Fe  Fe202  1  0.370119  0.370258  0.699512  1
  Fe  Fe203  1  0.424875  0.758327  0.652810  1
  Fe  Fe204  1  0.396763  0.063547  0.677341  1
  Fe  Fe205  1  0.758209  0.424994  0.652810  1
  Fe  Fe206  1  0.730096  0.730214  0.677341  1
  Fe  Fe207  1  0.063430  0.396880  0.677341  1
  Fe  Fe208  1  0.753429  0.910933  0.655791  1
  Fe  Fe209  1  0.086762  0.577600  0.655791  1
  Fe  Fe210  1  0.061284  0.880035  0.678313  1
  Fe  Fe211  1  0.420095  0.244267  0.655791  1
  Fe  Fe212  1  0.394617  0.546702  0.678313  1
  Fe  Fe213  1  0.363896  0.846766  0.701289  1
  Fe  Fe214  1  0.727950  0.213368  0.678313  1
  Fe  Fe215  1  0.697229  0.513433  0.701289  1
  Fe  Fe216  1  0.030562  0.180100  0.701289  1
  C  C217  1  0.054137  0.387616  0.349852  1
  C  C218  1  0.387471  0.054282  0.349852  1
  C  C219  1  0.448167  0.448312  0.301164  1
  C  C220  1  0.720804  0.720949  0.349852  1
  C  C221  1  0.781501  0.114978  0.301164  1
  C  C222  1  0.753404  0.420222  0.325903  1
  C  C223  1  0.114834  0.781645  0.301164  1
  C  C224  1  0.086738  0.086888  0.325903  1
  C  C225  1  0.420071  0.753555  0.325903  1
  C  C226  1  0.963661  0.297135  0.421137  1
  C  C227  1  0.296994  0.963802  0.421137  1
  C  C228  1  0.357596  0.357738  0.373402  1
  C  C229  1  0.630328  0.630468  0.421137  1
  C  C230  1  0.690929  0.024405  0.373402  1
  C  C231  1  0.660657  0.327466  0.397088  1
  C  C232  1  0.024262  0.691071  0.373402  1
  C  C233  1  0.993991  0.994133  0.397088  1
  C  C234  1  0.327324  0.660799  0.397088  1
  C  C235  1  0.873104  0.206576  0.492502  1
  C  C236  1  0.206437  0.873243  0.492502  1
  C  C237  1  0.266938  0.267078  0.444960  1
  C  C238  1  0.539770  0.539909  0.492502  1
  C  C239  1  0.600271  0.933744  0.444960  1
  C  C240  1  0.569952  0.236757  0.468661  1
  C  C241  1  0.933605  0.600411  0.444960  1
  C  C242  1  0.903285  0.903424  0.468661  1
  C  C243  1  0.236618  0.570091  0.468661  1
  C  C244  1  0.782237  0.115708  0.563854  1
  C  C245  1  0.115571  0.782375  0.563854  1
  C  C246  1  0.176225  0.176363  0.516471  1
  C  C247  1  0.448904  0.449041  0.563854  1
  C  C248  1  0.509558  0.843030  0.516471  1
  C  C249  1  0.479113  0.145917  0.540199  1
  C  C250  1  0.842892  0.509697  0.516471  1
  C  C251  1  0.812446  0.812584  0.540199  1
  C  C252  1  0.145779  0.479250  0.540199  1
  C  C253  1  0.691050  0.024515  0.635392  1
  C  C254  1  0.024383  0.691182  0.635392  1
  C  C255  1  0.085133  0.085268  0.587788  1
  C  C256  1  0.357716  0.357848  0.635392  1
  C  C257  1  0.418466  0.751935  0.587788  1
  C  C258  1  0.388724  0.055525  0.612082  1
  C  C259  1  0.751799  0.418602  0.587788  1
  C  C260  1  0.722058  0.722192  0.612082  1
  C  C261  1  0.055391  0.388859  0.612082  1
  C  C262  1  0.599329  0.932783  0.709264  1
  C  C263  1  0.932662  0.599449  0.709264  1
  C  C264  1  0.992683  0.992813  0.658744  1
  C  C265  1  0.265996  0.266116  0.709264  1
  C  C266  1  0.326016  0.659480  0.658744  1
  C  C267  1  0.297914  0.964707  0.683082  1
  C  C268  1  0.659350  0.326147  0.658744  1
  C  C269  1  0.631248  0.631374  0.683082  1
  C  C270  1  0.964581  0.298040  0.683082  1
