# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61892594
_cell_length_b   17.20574467
_cell_length_c   48.51558135
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.32124724
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe210 C84'
_cell_volume   5429.44016058
_cell_formula_units_Z   42
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  0.757577  0.463099  0.289879  1
  Fe  Fe2  1  0.713787  0.850135  0.331935  1
  Fe  Fe3  1  0.237796  0.158273  0.310337  1
  Fe  Fe4  1  0.131721  0.624449  0.312892  1
  Fe  Fe5  1  0.657254  0.929429  0.291970  1
  Fe  Fe6  1  0.615866  0.313277  0.334478  1
  Fe  Fe7  1  0.474845  0.399987  0.300874  1
  Fe  Fe8  1  0.438890  0.783556  0.342827  1
  Fe  Fe9  1  0.960065  0.090826  0.321880  1
  Fe  Fe10  1  0.129405  0.380390  0.283703  1
  Fe  Fe11  1  0.091698  0.762554  0.325315  1
  Fe  Fe12  1  0.615590  0.072260  0.303775  1
  Fe  Fe13  1  0.757302  0.708011  0.320375  1
  Fe  Fe14  1  0.277333  0.014870  0.299106  1
  Fe  Fe15  1  0.236686  0.400805  0.341277  1
  Fe  Fe16  1  0.060613  0.490623  0.312490  1
  Fe  Fe17  1  0.577603  0.799609  0.291285  1
  Fe  Fe18  1  0.541762  0.185027  0.333078  1
  Fe  Fe19  1  0.535274  0.565156  0.320125  1
  Fe  Fe20  1  0.056492  0.871439  0.298478  1
  Fe  Fe21  1  0.018760  0.257060  0.340130  1
  Fe  Fe22  1  0.831525  0.593866  0.291626  1
  Fe  Fe23  1  0.793017  0.978513  0.333213  1
  Fe  Fe24  1  0.308370  0.285633  0.313012  1
  Fe  Fe25  1  0.422255  0.687599  0.302142  1
  Fe  Fe26  1  0.942055  0.000676  0.281764  1
  Fe  Fe27  1  0.889817  0.378873  0.323945  1
  Fe  Fe28  1  0.334846  0.527316  0.284543  1
  Fe  Fe29  1  0.316991  0.905365  0.325935  1
  Fe  Fe30  1  0.829587  0.215201  0.304973  1
  Fe  Fe31  1  0.192932  0.542160  0.352678  1
  Fe  Fe32  1  0.155611  0.926348  0.394509  1
  Fe  Fe33  1  0.676022  0.233821  0.373353  1
  Fe  Fe34  1  0.575867  0.698067  0.375983  1
  Fe  Fe35  1  0.097494  0.005603  0.354923  1
  Fe  Fe36  1  0.056986  0.390503  0.396926  1
  Fe  Fe37  1  0.915498  0.476104  0.363189  1
  Fe  Fe38  1  0.877752  0.860816  0.405166  1
  Fe  Fe39  1  0.396968  0.168278  0.383989  1
  Fe  Fe40  1  0.573270  0.454534  0.345859  1
  Fe  Fe41  1  0.534949  0.839688  0.387550  1
  Fe  Fe42  1  0.055952  0.146562  0.366623  1
  Fe  Fe43  1  0.196947  0.785491  0.382989  1
  Fe  Fe44  1  0.718119  0.092928  0.361988  1
  Fe  Fe45  1  0.676601  0.477814  0.403780  1
  Fe  Fe46  1  0.499387  0.569467  0.374479  1
  Fe  Fe47  1  0.020244  0.876899  0.353716  1
  Fe  Fe48  1  0.980695  0.261174  0.395206  1
  Fe  Fe49  1  0.976168  0.641835  0.382182  1
  Fe  Fe50  1  0.498625  0.949628  0.360493  1
  Fe  Fe51  1  0.457454  0.333958  0.402842  1
  Fe  Fe52  1  0.271093  0.670776  0.354217  1
  Fe  Fe53  1  0.233018  0.055099  0.395824  1
  Fe  Fe54  1  0.751366  0.363286  0.375061  1
  Fe  Fe55  1  0.853052  0.764187  0.365462  1
  Fe  Fe56  1  0.374612  0.071145  0.344344  1
  Fe  Fe57  1  0.333891  0.456629  0.386183  1
  Fe  Fe58  1  0.792294  0.598160  0.346800  1
  Fe  Fe59  1  0.755095  0.982895  0.388582  1
  Fe  Fe60  1  0.274041  0.290248  0.367555  1
  Fe  Fe61  1  0.634906  0.618830  0.415269  1
  Fe  Fe62  1  0.595586  0.003596  0.457050  1
  Fe  Fe63  1  0.115410  0.311073  0.435982  1
  Fe  Fe64  1  0.017095  0.775362  0.438623  1
  Fe  Fe65  1  0.537377  0.082980  0.417547  1
  Fe  Fe66  1  0.496851  0.467541  0.459401  1
  Fe  Fe67  1  0.357218  0.553083  0.425903  1
  Fe  Fe68  1  0.317906  0.937904  0.467744  1
  Fe  Fe69  1  0.837405  0.245327  0.446655  1
  Fe  Fe70  1  0.014528  0.531597  0.408313  1
  Fe  Fe71  1  0.975383  0.916541  0.450099  1
  Fe  Fe72  1  0.495623  0.223724  0.429055  1
  Fe  Fe73  1  0.637283  0.862525  0.445545  1
  Fe  Fe74  1  0.157422  0.169850  0.424511  1
  Fe  Fe75  1  0.117033  0.554815  0.466338  1
  Fe  Fe76  1  0.940134  0.646116  0.437011  1
  Fe  Fe77  1  0.460459  0.954136  0.416211  1
  Fe  Fe78  1  0.420407  0.338236  0.457762  1
  Fe  Fe79  1  0.417418  0.718916  0.444474  1
  Fe  Fe80  1  0.938183  0.026405  0.423494  1
  Fe  Fe81  1  0.897543  0.411110  0.465266  1
  Fe  Fe82  1  0.711796  0.748135  0.416855  1
  Fe  Fe83  1  0.672304  0.132436  0.458406  1
  Fe  Fe84  1  0.191542  0.440436  0.437622  1
  Fe  Fe85  1  0.295049  0.841092  0.427930  1
  Fe  Fe86  1  0.815912  0.148364  0.406828  1
  Fe  Fe87  1  0.774175  0.533463  0.448747  1
  Fe  Fe88  1  0.234406  0.675327  0.409396  1
  Fe  Fe89  1  0.194708  0.059998  0.451147  1
  Fe  Fe90  1  0.714339  0.367537  0.430151  1
  Fe  Fe91  1  0.075350  0.695990  0.477815  1
  Fe  Fe92  1  0.035613  0.080657  0.519627  1
  Fe  Fe93  1  0.555412  0.388187  0.498574  1
  Fe  Fe94  1  0.457227  0.852438  0.501198  1
  Fe  Fe95  1  0.977026  0.159969  0.480144  1
  Fe  Fe96  1  0.937289  0.544636  0.521956  1
  Fe  Fe97  1  0.797821  0.630141  0.488484  1
  Fe  Fe98  1  0.757647  0.015037  0.530311  1
  Fe  Fe99  1  0.277577  0.322388  0.509246  1
  Fe  Fe100  1  0.455084  0.608759  0.470878  1
  Fe  Fe101  1  0.415435  0.993645  0.512662  1
  Fe  Fe102  1  0.935319  0.300937  0.491630  1
  Fe  Fe103  1  0.077321  0.939689  0.508141  1
  Fe  Fe104  1  0.597204  0.246980  0.487109  1
  Fe  Fe105  1  0.557555  0.631866  0.528894  1
  Fe  Fe106  1  0.380641  0.723168  0.499573  1
  Fe  Fe107  1  0.900517  0.031094  0.478778  1
  Fe  Fe108  1  0.860491  0.415356  0.520347  1
  Fe  Fe109  1  0.857877  0.796012  0.507042  1
  Fe  Fe110  1  0.378096  0.103527  0.486034  1
  Fe  Fe111  1  0.337727  0.488214  0.527811  1
  Fe  Fe112  1  0.152148  0.825270  0.479424  1
  Fe  Fe113  1  0.112122  0.209531  0.520993  1
  Fe  Fe114  1  0.631998  0.517458  0.500198  1
  Fe  Fe115  1  0.735062  0.918238  0.490525  1
  Fe  Fe116  1  0.254992  0.225589  0.469461  1
  Fe  Fe117  1  0.214818  0.610484  0.511287  1
  Fe  Fe118  1  0.674912  0.752412  0.471960  1
  Fe  Fe119  1  0.634543  0.137098  0.513737  1
  Fe  Fe120  1  0.154762  0.444613  0.492729  1
  Fe  Fe121  1  0.515788  0.773085  0.540370  1
  Fe  Fe122  1  0.475262  0.157646  0.582224  1
  Fe  Fe123  1  0.995544  0.465263  0.561149  1
  Fe  Fe124  1  0.897229  0.929553  0.563789  1
  Fe  Fe125  1  0.417053  0.237029  0.542721  1
  Fe  Fe126  1  0.377733  0.621795  0.584502  1
  Fe  Fe127  1  0.238465  0.707163  0.551024  1
  Fe  Fe128  1  0.196727  0.092262  0.592944  1
  Fe  Fe129  1  0.717590  0.399534  0.571841  1
  Fe  Fe130  1  0.895606  0.685811  0.533434  1
  Fe  Fe131  1  0.855217  0.070775  0.575260  1
  Fe  Fe132  1  0.375356  0.378100  0.554226  1
  Fe  Fe133  1  0.517016  0.016902  0.570716  1
  Fe  Fe134  1  0.037256  0.324084  0.549672  1
  Fe  Fe135  1  0.998111  0.709028  0.591458  1
  Fe  Fe136  1  0.821097  0.800190  0.562149  1
  Fe  Fe137  1  0.340335  0.108190  0.541365  1
  Fe  Fe138  1  0.300843  0.492490  0.582916  1
  Fe  Fe139  1  0.298300  0.873089  0.569620  1
  Fe  Fe140  1  0.817931  0.180628  0.548624  1
  Fe  Fe141  1  0.778233  0.565299  0.590375  1
  Fe  Fe142  1  0.592232  0.902389  0.542009  1
  Fe  Fe143  1  0.552180  0.286490  0.583560  1
  Fe  Fe144  1  0.072505  0.594510  0.562760  1
  Fe  Fe145  1  0.175234  0.995299  0.553116  1
  Fe  Fe146  1  0.694733  0.302722  0.532027  1
  Fe  Fe147  1  0.655421  0.687542  0.573868  1
  Fe  Fe148  1  0.115096  0.829515  0.534506  1
  Fe  Fe149  1  0.074456  0.214221  0.576277  1
  Fe  Fe150  1  0.595221  0.521709  0.555297  1
  Fe  Fe151  1  0.955654  0.850123  0.602846  1
  Fe  Fe152  1  0.915145  0.235022  0.644848  1
  Fe  Fe153  1  0.436772  0.542559  0.623788  1
  Fe  Fe154  1  0.336618  0.006804  0.626419  1
  Fe  Fe155  1  0.857028  0.314278  0.605263  1
  Fe  Fe156  1  0.819707  0.698466  0.647093  1
  Fe  Fe157  1  0.678748  0.783997  0.613588  1
  Fe  Fe158  1  0.638027  0.169481  0.655428  1
  Fe  Fe159  1  0.159588  0.476439  0.634310  1
  Fe  Fe160  1  0.336038  0.762811  0.595992  1
  Fe  Fe161  1  0.294520  0.147698  0.637784  1
  Fe  Fe162  1  0.815692  0.455135  0.616782  1
  Fe  Fe163  1  0.956687  0.094063  0.633148  1
  Fe  Fe164  1  0.477690  0.400938  0.612221  1
  Fe  Fe165  1  0.439369  0.786092  0.653912  1
  Fe  Fe166  1  0.261273  0.877340  0.624711  1
  Fe  Fe167  1  0.779621  0.185527  0.603948  1
  Fe  Fe168  1  0.741546  0.569850  0.645554  1
  Fe  Fe169  1  0.738598  0.950377  0.632216  1
  Fe  Fe170  1  0.257544  0.257730  0.611189  1
  Fe  Fe171  1  0.220345  0.642465  0.652972  1
  Fe  Fe172  1  0.031944  0.979452  0.604566  1
  Fe  Fe173  1  0.992396  0.363726  0.646055  1
  Fe  Fe174  1  0.513252  0.671159  0.625292  1
  Fe  Fe175  1  0.615671  0.072347  0.615782  1
  Fe  Fe176  1  0.134887  0.379810  0.594605  1
  Fe  Fe177  1  0.097142  0.764522  0.636583  1
  Fe  Fe178  1  0.555185  0.906667  0.596929  1
  Fe  Fe179  1  0.514014  0.290998  0.639278  1
  Fe  Fe180  1  0.036471  0.598790  0.617589  1
  Fe  Fe181  1  0.396773  0.927349  0.665293  1
  Fe  Fe182  1  0.355385  0.311196  0.707801  1
  Fe  Fe183  1  0.880918  0.616176  0.686879  1
  Fe  Fe184  1  0.774843  0.082353  0.689434  1
  Fe  Fe185  1  0.298852  0.390491  0.667836  1
  Fe  Fe186  1  0.255062  0.777526  0.709892  1
  Fe  Fe187  1  0.122822  0.861752  0.675826  1
  Fe  Fe188  1  0.070584  0.239950  0.718007  1
  Fe  Fe189  1  0.590384  0.553027  0.697630  1
  Fe  Fe190  1  0.775953  0.839820  0.658495  1
  Fe  Fe191  1  0.735306  0.225756  0.700665  1
  Fe  Fe192  1  0.255337  0.532614  0.679396  1
  Fe  Fe193  1  0.397049  0.168365  0.695997  1
  Fe  Fe194  1  0.920941  0.478072  0.674456  1
  Fe  Fe195  1  0.883235  0.860235  0.716068  1
  Fe  Fe196  1  0.704270  0.954993  0.686759  1
  Fe  Fe197  1  0.219622  0.262113  0.666558  1
  Fe  Fe198  1  0.181114  0.646759  0.708145  1
  Fe  Fe199  1  0.183052  0.025424  0.694799  1
  Fe  Fe200  1  0.695648  0.335261  0.673837  1
  Fe  Fe201  1  0.677793  0.713310  0.715228  1
  Fe  Fe202  1  0.470877  0.055598  0.666694  1
  Fe  Fe203  1  0.435036  0.441017  0.708486  1
  Fe  Fe204  1  0.952026  0.750003  0.687281  1
  Fe  Fe205  1  0.052575  0.149800  0.677891  1
  Fe  Fe206  1  0.573750  0.457069  0.656944  1
  Fe  Fe207  1  0.537794  0.840639  0.698897  1
  Fe  Fe208  1  0.993879  0.983565  0.659642  1
  Fe  Fe209  1  0.956147  0.369186  0.701293  1
  Fe  Fe210  1  0.477365  0.675469  0.679646  1
  C  C211  1  0.790265  0.494337  0.327437  1
  C  C212  1  0.310859  0.801998  0.307278  1
  C  C213  1  0.836325  0.111753  0.286166  1
  C  C214  1  0.549219  0.595002  0.282085  1
  C  C215  1  0.510883  0.983129  0.322791  1
  C  C216  1  0.026454  0.290901  0.302414  1
  C  C217  1  0.342930  0.489759  0.321936  1
  C  C218  1  0.860444  0.795553  0.301334  1
  C  C219  1  0.825363  0.180757  0.342656  1
  C  C220  1  0.538327  0.668401  0.338386  1
  C  C221  1  0.061227  0.974332  0.317468  1
  C  C222  1  0.573982  0.284625  0.296903  1
  C  C223  1  0.231687  0.572117  0.390206  1
  C  C224  1  0.752429  0.880066  0.369465  1
  C  C225  1  0.272742  0.186412  0.348178  1
  C  C226  1  0.987897  0.674812  0.344431  1
  C  C227  1  0.950436  0.059103  0.385711  1
  C  C228  1  0.468440  0.367288  0.365120  1
  C  C229  1  0.782175  0.565013  0.384562  1
  C  C230  1  0.302967  0.873001  0.363731  1
  C  C231  1  0.263238  0.257217  0.405319  1
  C  C232  1  0.979543  0.745117  0.401096  1
  C  C233  1  0.500495  0.052506  0.380029  1
  C  C234  1  0.019393  0.360367  0.359397  1
  C  C235  1  0.672397  0.649211  0.452782  1
  C  C236  1  0.192960  0.956847  0.432010  1
  C  C237  1  0.712749  0.264132  0.410896  1
  C  C238  1  0.429316  0.751978  0.406728  1
  C  C239  1  0.389727  0.136517  0.448275  1
  C  C240  1  0.908888  0.444434  0.427543  1
  C  C241  1  0.222705  0.642109  0.447126  1
  C  C242  1  0.743091  0.949927  0.426337  1
  C  C243  1  0.702914  0.334338  0.467888  1
  C  C244  1  0.419952  0.822149  0.463668  1
  C  C245  1  0.939936  0.129552  0.442624  1
  C  C246  1  0.459379  0.437301  0.421873  1
  C  C247  1  0.112864  0.726291  0.515336  1
  C  C248  1  0.632896  0.034000  0.494564  1
  C  C249  1  0.152587  0.341369  0.473514  1
  C  C250  1  0.869603  0.829202  0.469309  1
  C  C251  1  0.829544  0.213616  0.510865  1
  C  C252  1  0.349439  0.521439  0.490082  1
  C  C253  1  0.663200  0.719187  0.509690  1
  C  C254  1  0.183095  0.027010  0.488906  1
  C  C255  1  0.143037  0.411423  0.530462  1
  C  C256  1  0.860052  0.899257  0.526257  1
  C  C257  1  0.379743  0.206625  0.505207  1
  C  C258  1  0.899775  0.514334  0.484435  1
  C  C259  1  0.553260  0.803324  0.577898  1
  C  C260  1  0.072703  0.111073  0.557147  1
  C  C261  1  0.592687  0.418477  0.536103  1
  C  C262  1  0.309725  0.906288  0.531883  1
  C  C263  1  0.269548  0.290699  0.573434  1
  C  C264  1  0.789935  0.598517  0.552645  1
  C  C265  1  0.103751  0.796192  0.572228  1
  C  C266  1  0.622912  0.104109  0.551496  1
  C  C267  1  0.583323  0.488648  0.593043  1
  C  C268  1  0.299891  0.976494  0.588875  1
  C  C269  1  0.819679  0.283779  0.567761  1
  C  C270  1  0.340242  0.591414  0.546989  1
  C  C271  1  0.993246  0.880259  0.640374  1
  C  C272  1  0.512144  0.188120  0.619742  1
  C  C273  1  0.033096  0.495509  0.598675  1
  C  C274  1  0.749401  0.983408  0.594452  1
  C  C275  1  0.709672  0.367624  0.636041  1
  C  C276  1  0.230464  0.675613  0.615209  1
  C  C277  1  0.544199  0.873337  0.634651  1
  C  C278  1  0.062203  0.181522  0.614060  1
  C  C279  1  0.024742  0.565813  0.655340  1
  C  C280  1  0.739897  0.054214  0.651593  1
  C  C281  1  0.260210  0.360560  0.630306  1
  C  C282  1  0.780952  0.668508  0.609565  1
  C  C283  1  0.438657  0.956000  0.702869  1
  C  C284  1  0.951413  0.266294  0.682303  1
  C  C285  1  0.474312  0.572225  0.661386  1
  C  C286  1  0.187277  0.059868  0.657115  1
  C  C287  1  0.152195  0.445073  0.698438  1
  C  C288  1  0.669709  0.750867  0.677835  1
  C  C289  1  0.986185  0.949724  0.697357  1
  C  C290  1  0.501756  0.257497  0.676980  1
  C  C291  1  0.463420  0.645623  0.717687  1
  C  C292  1  0.176314  0.128872  0.713605  1
  C  C293  1  0.701780  0.438628  0.692493  1
  C  C294  1  0.222374  0.746289  0.672334  1
