# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46776049
_cell_length_b   10.59821867
_cell_length_c   49.05088883
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.24663628
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe200 C80'
_cell_volume   5432.95278387
_cell_formula_units_Z   40
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  0.709493  0.008542  0.364534  1
  Fe  Fe2  1  0.735955  0.413046  0.322357  1
  Fe  Fe3  1  0.394683  0.275704  0.371753  1
  Fe  Fe4  1  0.425159  0.685440  0.329958  1
  Fe  Fe5  1  0.540100  0.029291  0.329571  1
  Fe  Fe6  1  0.515355  0.617420  0.372017  1
  Fe  Fe7  1  0.601825  0.817877  0.349366  1
  Fe  Fe8  1  0.625167  0.224243  0.307210  1
  Fe  Fe9  1  0.595865  0.227003  0.357828  1
  Fe  Fe10  1  0.627876  0.636461  0.317361  1
  Fe  Fe11  1  0.562341  0.821647  0.298852  1
  Fe  Fe12  1  0.540660  0.438891  0.339849  1
  Fe  Fe13  1  0.736296  0.980376  0.314580  1
  Fe  Fe14  1  0.718030  0.569656  0.359177  1
  Fe  Fe15  1  0.402161  0.838120  0.365382  1
  Fe  Fe16  1  0.424831  0.244048  0.323492  1
  Fe  Fe17  1  0.810453  0.262639  0.355426  1
  Fe  Fe18  1  0.842282  0.677003  0.313928  1
  Fe  Fe19  1  0.812956  0.786380  0.353697  1
  Fe  Fe20  1  0.838921  0.195026  0.311972  1
  Fe  Fe21  1  0.222546  0.211537  0.343593  1
  Fe  Fe22  1  0.257199  0.619822  0.301526  1
  Fe  Fe23  1  0.933781  0.888274  0.308483  1
  Fe  Fe24  1  0.905008  0.480770  0.350157  1
  Fe  Fe25  1  0.029826  0.822018  0.351264  1
  Fe  Fe26  1  0.053656  0.230965  0.309284  1
  Fe  Fe27  1  0.113029  0.020881  0.328517  1
  Fe  Fe28  1  0.090294  0.610434  0.368873  1
  Fe  Fe29  1  0.135117  0.838655  0.296422  1
  Fe  Fe30  1  0.110407  0.433179  0.336735  1
  Fe  Fe31  1  0.022279  0.231754  0.360063  1
  Fe  Fe32  1  0.053662  0.644142  0.318798  1
  Fe  Fe33  1  0.232711  0.773951  0.338354  1
  Fe  Fe34  1  0.247852  0.181383  0.294475  1
  Fe  Fe35  1  0.911022  0.039891  0.344391  1
  Fe  Fe36  1  0.948118  0.446474  0.302186  1
  Fe  Fe37  1  0.355202  0.880762  0.293204  1
  Fe  Fe38  1  0.328292  0.466105  0.333631  1
  Fe  Fe39  1  0.325702  0.990853  0.332697  1
  Fe  Fe40  1  0.298759  0.581774  0.374141  1
  Fe  Fe41  1  0.655134  0.189596  0.447620  1
  Fe  Fe42  1  0.682059  0.597817  0.406046  1
  Fe  Fe43  1  0.340261  0.457070  0.454831  1
  Fe  Fe44  1  0.366687  0.866330  0.413066  1
  Fe  Fe45  1  0.487653  0.208361  0.413445  1
  Fe  Fe46  1  0.460225  0.799224  0.454894  1
  Fe  Fe47  1  0.547000  0.998211  0.432189  1
  Fe  Fe48  1  0.574434  0.407261  0.390369  1
  Fe  Fe49  1  0.541344  0.408954  0.441281  1
  Fe  Fe50  1  0.568525  0.818957  0.399858  1
  Fe  Fe51  1  0.509168  0.028545  0.381030  1
  Fe  Fe52  1  0.481548  0.619564  0.422439  1
  Fe  Fe53  1  0.688052  0.160932  0.399621  1
  Fe  Fe54  1  0.661760  0.751221  0.441695  1
  Fe  Fe55  1  0.346582  0.019224  0.448698  1
  Fe  Fe56  1  0.374067  0.428043  0.406842  1
  Fe  Fe57  1  0.757585  0.445385  0.438549  1
  Fe  Fe58  1  0.785188  0.854668  0.397297  1
  Fe  Fe59  1  0.757842  0.967490  0.436772  1
  Fe  Fe60  1  0.784209  0.377099  0.394876  1
  Fe  Fe61  1  0.168620  0.394268  0.426687  1
  Fe  Fe62  1  0.195509  0.801748  0.385070  1
  Fe  Fe63  1  0.881504  0.070623  0.392389  1
  Fe  Fe64  1  0.853268  0.661256  0.433634  1
  Fe  Fe65  1  0.974076  0.003411  0.434159  1
  Fe  Fe66  1  0.000998  0.412545  0.392304  1
  Fe  Fe67  1  0.060273  0.202852  0.411274  1
  Fe  Fe68  1  0.033405  0.793327  0.452807  1
  Fe  Fe69  1  0.081875  0.023307  0.378906  1
  Fe  Fe70  1  0.055048  0.613181  0.420275  1
  Fe  Fe71  1  0.967948  0.414810  0.443092  1
  Fe  Fe72  1  0.995753  0.823208  0.401733  1
  Fe  Fe73  1  0.174979  0.955478  0.420779  1
  Fe  Fe74  1  0.202130  0.365162  0.378629  1
  Fe  Fe75  1  0.859911  0.223126  0.427656  1
  Fe  Fe76  1  0.889332  0.633598  0.386070  1
  Fe  Fe77  1  0.298251  0.058600  0.376545  1
  Fe  Fe78  1  0.271027  0.649025  0.417839  1
  Fe  Fe79  1  0.271350  0.172776  0.415898  1
  Fe  Fe80  1  0.243953  0.763316  0.457431  1
  Fe  Fe81  1  0.600518  0.370532  0.530768  1
  Fe  Fe82  1  0.627630  0.780046  0.489309  1
  Fe  Fe83  1  0.285789  0.638234  0.538082  1
  Fe  Fe84  1  0.313073  0.047625  0.496353  1
  Fe  Fe85  1  0.432969  0.389770  0.496579  1
  Fe  Fe86  1  0.405883  0.980380  0.538154  1
  Fe  Fe87  1  0.492465  0.179607  0.515295  1
  Fe  Fe88  1  0.519635  0.589199  0.473759  1
  Fe  Fe89  1  0.487081  0.590399  0.524658  1
  Fe  Fe90  1  0.513964  1.000111  0.482912  1
  Fe  Fe91  1  0.454521  0.210553  0.464133  1
  Fe  Fe92  1  0.427307  0.800667  0.505757  1
  Fe  Fe93  1  0.634289  0.342219  0.483120  1
  Fe  Fe94  1  0.607047  0.932652  0.524708  1
  Fe  Fe95  1  0.292089  0.200496  0.531837  1
  Fe  Fe96  1  0.319441  0.609668  0.490188  1
  Fe  Fe97  1  0.703226  0.626574  0.521892  1
  Fe  Fe98  1  0.730437  0.036008  0.480300  1
  Fe  Fe99  1  0.703097  0.148932  0.519854  1
  Fe  Fe100  1  0.730308  0.558367  0.478263  1
  Fe  Fe101  1  0.114093  0.575272  0.509966  1
  Fe  Fe102  1  0.141445  0.984444  0.468318  1
  Fe  Fe103  1  0.826487  0.252288  0.475446  1
  Fe  Fe104  1  0.799245  0.842721  0.517034  1
  Fe  Fe105  1  0.919570  0.184829  0.517243  1
  Fe  Fe106  1  0.946454  0.594541  0.475496  1
  Fe  Fe107  1  0.006228  0.384273  0.494398  1
  Fe  Fe108  1  0.979013  0.974387  0.536022  1
  Fe  Fe109  1  0.027651  0.204561  0.462000  1
  Fe  Fe110  1  0.000565  0.795171  0.503575  1
  Fe  Fe111  1  0.913899  0.595741  0.526395  1
  Fe  Fe112  1  0.941069  0.005334  0.484860  1
  Fe  Fe113  1  0.120461  0.137315  0.503802  1
  Fe  Fe114  1  0.147745  0.546706  0.462072  1
  Fe  Fe115  1  0.805904  0.404894  0.510845  1
  Fe  Fe116  1  0.833016  0.814408  0.469387  1
  Fe  Fe117  1  0.244003  0.240473  0.459478  1
  Fe  Fe118  1  0.216774  0.830750  0.501132  1
  Fe  Fe119  1  0.216760  0.354190  0.499022  1
  Fe  Fe120  1  0.189531  0.944467  0.540676  1
  Fe  Fe121  1  0.544202  0.551342  0.614084  1
  Fe  Fe122  1  0.573623  0.961814  0.572498  1
  Fe  Fe123  1  0.231404  0.819778  0.621526  1
  Fe  Fe124  1  0.258555  0.229462  0.579376  1
  Fe  Fe125  1  0.378486  0.571759  0.579879  1
  Fe  Fe126  1  0.351659  0.161634  0.621249  1
  Fe  Fe127  1  0.437781  0.361732  0.598422  1
  Fe  Fe128  1  0.465586  0.770130  0.557062  1
  Fe  Fe129  1  0.432536  0.772395  0.607850  1
  Fe  Fe130  1  0.459458  0.181529  0.565995  1
  Fe  Fe131  1  0.400129  0.391614  0.547347  1
  Fe  Fe132  1  0.373261  0.982088  0.588881  1
  Fe  Fe133  1  0.580266  0.523685  0.566521  1
  Fe  Fe134  1  0.552030  0.114317  0.607766  1
  Fe  Fe135  1  0.238025  0.383193  0.615084  1
  Fe  Fe136  1  0.264914  0.790672  0.573467  1
  Fe  Fe137  1  0.649325  0.807842  0.605278  1
  Fe  Fe138  1  0.675692  0.217451  0.563382  1
  Fe  Fe139  1  0.648346  0.330273  0.602857  1
  Fe  Fe140  1  0.675949  0.739555  0.561606  1
  Fe  Fe141  1  0.059467  0.756897  0.593313  1
  Fe  Fe142  1  0.086952  0.165716  0.551456  1
  Fe  Fe143  1  0.771774  0.433719  0.558459  1
  Fe  Fe144  1  0.745482  0.024008  0.600533  1
  Fe  Fe145  1  0.865009  0.365983  0.600296  1
  Fe  Fe146  1  0.892190  0.775986  0.558873  1
  Fe  Fe147  1  0.951986  0.565377  0.577715  1
  Fe  Fe148  1  0.924366  0.156395  0.619124  1
  Fe  Fe149  1  0.973309  0.385716  0.545260  1
  Fe  Fe150  1  0.945881  0.976579  0.586709  1
  Fe  Fe151  1  0.859100  0.777679  0.609786  1
  Fe  Fe152  1  0.886534  0.186729  0.567965  1
  Fe  Fe153  1  0.066847  0.318610  0.587088  1
  Fe  Fe154  1  0.093273  0.727870  0.545324  1
  Fe  Fe155  1  0.751475  0.587123  0.594108  1
  Fe  Fe156  1  0.778400  0.995344  0.552535  1
  Fe  Fe157  1  0.189582  0.421625  0.542724  1
  Fe  Fe158  1  0.162184  0.012164  0.584257  1
  Fe  Fe159  1  0.162507  0.535916  0.582316  1
  Fe  Fe160  1  0.135283  0.126340  0.623609  1
  Fe  Fe161  1  0.485416  0.738466  0.697968  1
  Fe  Fe162  1  0.522512  0.145050  0.655764  1
  Fe  Fe163  1  0.185682  0.003557  0.705679  1
  Fe  Fe164  1  0.200823  0.410989  0.661800  1
  Fe  Fe165  1  0.323127  0.751761  0.663419  1
  Fe  Fe166  1  0.298417  0.346285  0.703733  1
  Fe  Fe167  1  0.379872  0.540799  0.681357  1
  Fe  Fe168  1  0.411255  0.953186  0.640092  1
  Fe  Fe169  1  0.379879  0.953976  0.690870  1
  Fe  Fe170  1  0.403708  0.362922  0.648890  1
  Fe  Fe171  1  0.343240  0.574506  0.631282  1
  Fe  Fe172  1  0.320505  0.164060  0.671637  1
  Fe  Fe173  1  0.528526  0.704170  0.649997  1
  Fe  Fe174  1  0.499753  0.296666  0.691671  1
  Fe  Fe175  1  0.176335  0.565118  0.698628  1
  Fe  Fe176  1  0.210988  0.973403  0.656561  1
  Fe  Fe177  1  0.594613  0.989914  0.688182  1
  Fe  Fe178  1  0.620578  0.398560  0.646457  1
  Fe  Fe179  1  0.591252  0.507937  0.686226  1
  Fe  Fe180  1  0.623081  0.922302  0.644729  1
  Fe  Fe181  1  0.008703  0.940892  0.676663  1
  Fe  Fe182  1  0.031373  0.346820  0.634773  1
  Fe  Fe183  1  0.715504  0.615284  0.640977  1
  Fe  Fe184  1  0.697238  0.204565  0.685575  1
  Fe  Fe185  1  0.805658  0.548479  0.682794  1
  Fe  Fe186  1  0.837669  0.957938  0.642326  1
  Fe  Fe187  1  0.892874  0.746049  0.660306  1
  Fe  Fe188  1  0.871194  0.363293  0.701303  1
  Fe  Fe189  1  0.918179  0.567521  0.628137  1
  Fe  Fe190  1  0.893434  0.155649  0.670583  1
  Fe  Fe191  1  0.808367  0.960697  0.692944  1
  Fe  Fe192  1  0.831709  0.367063  0.650788  1
  Fe  Fe193  1  0.008375  0.499500  0.670196  1
  Fe  Fe194  1  0.038851  0.909236  0.628402  1
  Fe  Fe195  1  0.697579  0.771894  0.677798  1
  Fe  Fe196  1  0.724041  0.176398  0.635620  1
  Fe  Fe197  1  0.134775  0.603166  0.626013  1
  Fe  Fe198  1  0.107832  0.194088  0.667458  1
  Fe  Fe199  1  0.105242  0.718835  0.666523  1
  Fe  Fe200  1  0.078332  0.304178  0.706950  1
  C  C201  1  0.432107  0.123752  0.352691  1
  C  C202  1  0.466213  0.533949  0.311146  1
  C  C203  1  0.716541  0.800181  0.319185  1
  C  C204  1  0.687414  0.389146  0.359883  1
  C  C205  1  0.703621  0.129029  0.335361  1
  C  C206  1  0.743451  0.544703  0.295474  1
  C  C207  1  0.450445  0.866190  0.327961  1
  C  C208  1  0.422407  0.456144  0.369419  1
  C  C209  1  0.919243  0.918611  0.373356  1
  C  C210  1  0.945407  0.327799  0.331841  1
  C  C211  1  0.226361  0.000952  0.298190  1
  C  C212  1  0.206268  0.593063  0.338849  1
  C  C213  1  0.192200  0.926747  0.356755  1
  C  C214  1  0.216609  0.332503  0.314518  1
  C  C215  1  0.961964  0.068928  0.307169  1
  C  C216  1  0.936586  0.660980  0.348583  1
  C  C217  1  0.378102  0.305484  0.435658  1
  C  C218  1  0.404839  0.714522  0.394004  1
  C  C219  1  0.661514  0.980353  0.401967  1
  C  C220  1  0.633642  0.570646  0.443475  1
  C  C221  1  0.650687  0.312447  0.418880  1
  C  C222  1  0.678998  0.722632  0.377690  1
  C  C223  1  0.394883  0.046897  0.411276  1
  C  C224  1  0.367653  0.637638  0.452762  1
  C  C225  1  0.864563  0.100378  0.456417  1
  C  C226  1  0.891489  0.509440  0.414572  1
  C  C227  1  0.174863  0.184667  0.381079  1
  C  C228  1  0.147451  0.774814  0.422527  1
  C  C229  1  0.137092  0.107812  0.439678  1
  C  C230  1  0.164243  0.516638  0.397846  1
  C  C231  1  0.907765  0.251282  0.390216  1
  C  C232  1  0.881494  0.841852  0.431969  1
  C  C233  1  0.323660  0.486660  0.518903  1
  C  C234  1  0.350853  0.895669  0.477299  1
  C  C235  1  0.606704  0.161613  0.485028  1
  C  C236  1  0.579489  0.752083  0.526737  1
  C  C237  1  0.596260  0.494098  0.502176  1
  C  C238  1  0.623589  0.903317  0.460645  1
  C  C239  1  0.340253  0.228268  0.494406  1
  C  C240  1  0.313287  0.818803  0.536056  1
  C  C241  1  0.809945  0.281624  0.539509  1
  C  C242  1  0.837274  0.690842  0.497978  1
  C  C243  1  0.120247  0.366137  0.464098  1
  C  C244  1  0.093281  0.956673  0.505748  1
  C  C245  1  0.082681  0.289271  0.522855  1
  C  C246  1  0.109874  0.698281  0.481251  1
  C  C247  1  0.854045  0.432858  0.473417  1
  C  C248  1  0.826830  0.023327  0.515126  1
  C  C249  1  0.269291  0.668302  0.602308  1
  C  C250  1  0.296442  0.077128  0.560476  1
  C  C251  1  0.552040  0.343088  0.568185  1
  C  C252  1  0.525769  0.933658  0.609939  1
  C  C253  1  0.542045  0.675500  0.585583  1
  C  C254  1  0.568972  0.084562  0.543737  1
  C  C255  1  0.286083  0.410126  0.577627  1
  C  C256  1  0.258671  1.000273  0.619076  1
  C  C257  1  0.754536  0.462308  0.622464  1
  C  C258  1  0.782848  0.872493  0.581274  1
  C  C259  1  0.065881  0.547302  0.547392  1
  C  C260  1  0.038651  0.138043  0.588879  1
  C  C261  1  0.028696  0.470418  0.606151  1
  C  C262  1  0.055433  0.879456  0.564496  1
  C  C263  1  0.799892  0.614295  0.556679  1
  C  C264  1  0.772020  0.204587  0.598188  1
  C  C265  1  0.216925  0.852437  0.685636  1
  C  C266  1  0.241334  0.258193  0.643400  1
  C  C267  1  0.496948  0.523961  0.651572  1
  C  C268  1  0.471570  0.116012  0.692985  1
  C  C269  1  0.488128  0.857141  0.668314  1
  C  C270  1  0.514291  0.266329  0.626799  1
  C  C271  1  0.227266  0.591877  0.661306  1
  C  C272  1  0.207174  0.183988  0.701964  1
  C  C273  1  0.690083  0.640237  0.704681  1
  C  C274  1  0.729913  0.055911  0.664793  1
  C  C275  1  0.011127  0.728796  0.630735  1
  C  C276  1  0.983089  0.318750  0.672194  1
  C  C277  1  0.967321  0.650991  0.689008  1
  C  C278  1  0.001427  0.061188  0.647463  1
  C  C279  1  0.746120  0.795794  0.640271  1
  C  C280  1  0.716993  0.384759  0.680970  1
