# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75005366
_cell_length_b   16.72562956
_cell_length_c   46.33190776
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.98026958
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe180 C72'
_cell_volume   4412.73982239
_cell_formula_units_Z   36
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  0.662535  0.567823  0.279435  1
  Fe  Fe2  1  0.578202  0.953820  0.305981  1
  Fe  Fe3  1  0.481149  0.336880  0.331708  1
  Fe  Fe4  1  0.261782  0.866566  0.286395  1
  Fe  Fe5  1  0.165217  0.249877  0.313019  1
  Fe  Fe6  1  0.071502  0.633473  0.339389  1
  Fe  Fe7  1  0.908398  0.787947  0.279838  1
  Fe  Fe8  1  0.816673  0.172570  0.306126  1
  Fe  Fe9  1  0.718503  0.556083  0.331706  1
  Fe  Fe10  1  0.755161  0.705891  0.322947  1
  Fe  Fe11  1  0.658230  0.089394  0.348454  1
  Fe  Fe12  1  0.846322  0.321506  0.296429  1
  Fe  Fe13  1  0.898008  0.881717  0.322602  1
  Fe  Fe14  1  0.080807  0.117263  0.272049  1
  Fe  Fe15  1  0.989761  0.498086  0.297168  1
  Fe  Fe16  1  0.525079  0.814090  0.320002  1
  Fe  Fe17  1  0.430320  0.198322  0.346079  1
  Fe  Fe18  1  0.617542  0.430609  0.294285  1
  Fe  Fe19  1  0.413719  0.666466  0.299099  1
  Fe  Fe20  1  0.315392  0.047261  0.325224  1
  Fe  Fe21  1  0.443953  0.276069  0.277162  1
  Fe  Fe22  1  0.123360  0.773279  0.325294  1
  Fe  Fe23  1  0.317474  0.007929  0.273696  1
  Fe  Fe24  1  0.220300  0.390782  0.299252  1
  Fe  Fe25  1  0.022494  0.647891  0.288464  1
  Fe  Fe26  1  0.932363  0.030934  0.312963  1
  Fe  Fe27  1  0.832849  0.414330  0.339289  1
  Fe  Fe28  1  0.237233  0.922513  0.345752  1
  Fe  Fe29  1  0.436207  0.151214  0.295799  1
  Fe  Fe30  1  0.332758  0.538451  0.320323  1
  Fe  Fe31  1  0.385446  0.721099  0.357299  1
  Fe  Fe32  1  0.288587  0.104914  0.382886  1
  Fe  Fe33  1  0.191450  0.488506  0.408564  1
  Fe  Fe34  1  0.975057  0.017465  0.364666  1
  Fe  Fe35  1  0.878176  0.400952  0.390320  1
  Fe  Fe36  1  0.782141  0.784543  0.416052  1
  Fe  Fe37  1  0.623312  0.940358  0.357069  1
  Fe  Fe38  1  0.526059  0.324075  0.382715  1
  Fe  Fe39  1  0.429546  0.707683  0.408248  1
  Fe  Fe40  1  0.464553  0.856587  0.399274  1
  Fe  Fe41  1  0.367520  0.240850  0.425224  1
  Fe  Fe42  1  0.559986  0.472900  0.373677  1
  Fe  Fe43  1  0.606148  0.032560  0.399696  1
  Fe  Fe44  1  0.800231  0.265816  0.348335  1
  Fe  Fe45  1  0.702739  0.648851  0.374004  1
  Fe  Fe46  1  0.235636  0.965408  0.397059  1
  Fe  Fe47  1  0.138836  0.349394  0.422687  1
  Fe  Fe48  1  0.332757  0.581833  0.371378  1
  Fe  Fe49  1  0.124300  0.816354  0.376191  1
  Fe  Fe50  1  0.026303  0.199776  0.401987  1
  Fe  Fe51  1  0.218781  0.432060  0.350563  1
  Fe  Fe52  1  0.834554  0.923581  0.401885  1
  Fe  Fe53  1  0.027300  0.157293  0.351010  1
  Fe  Fe54  1  0.930552  0.540075  0.376396  1
  Fe  Fe55  1  0.737851  0.798264  0.365067  1
  Fe  Fe56  1  0.641044  0.181660  0.390799  1
  Fe  Fe57  1  0.543856  0.565349  0.416335  1
  Fe  Fe58  1  0.947319  0.073413  0.422870  1
  Fe  Fe59  1  0.139626  0.306131  0.371425  1
  Fe  Fe60  1  0.043692  0.689746  0.397238  1
  Fe  Fe61  1  0.095302  0.872228  0.434216  1
  Fe  Fe62  1  -0.001282  0.255919  0.459896  1
  Fe  Fe63  1  0.901564  0.639617  0.485421  1
  Fe  Fe64  1  0.685339  0.168220  0.441772  1
  Fe  Fe65  1  0.588429  0.551910  0.467314  1
  Fe  Fe66  1  0.491851  0.935607  0.492961  1
  Fe  Fe67  1  0.333105  0.091381  0.434011  1
  Fe  Fe68  1  0.236162  0.475106  0.459537  1
  Fe  Fe69  1  0.139498  0.858796  0.485184  1
  Fe  Fe70  1  0.174151  0.007853  0.476273  1
  Fe  Fe71  1  0.077494  0.391627  0.501929  1
  Fe  Fe72  1  0.270448  0.624131  0.450588  1
  Fe  Fe73  1  0.316583  0.183745  0.476590  1
  Fe  Fe74  1  0.509165  0.416172  0.425292  1
  Fe  Fe75  1  0.413192  0.800050  0.450875  1
  Fe  Fe76  1  0.946319  0.116698  0.473976  1
  Fe  Fe77  1  0.849435  0.500418  0.499562  1
  Fe  Fe78  1  0.042916  0.733007  0.448264  1
  Fe  Fe79  1  0.833338  0.966951  0.453109  1
  Fe  Fe80  1  0.736767  0.350806  0.478804  1
  Fe  Fe81  1  0.929917  0.583218  0.427429  1
  Fe  Fe82  1  0.544316  0.074865  0.478895  1
  Fe  Fe83  1  0.737662  0.307367  0.427631  1
  Fe  Fe84  1  0.640586  0.691180  0.453211  1
  Fe  Fe85  1  0.447537  0.949057  0.441962  1
  Fe  Fe86  1  0.350872  0.332698  0.467666  1
  Fe  Fe87  1  0.253899  0.716450  0.493204  1
  Fe  Fe88  1  0.657103  0.224553  0.499756  1
  Fe  Fe89  1  0.850191  0.457094  0.448427  1
  Fe  Fe90  1  0.753574  0.840906  0.474037  1
  Fe  Fe91  1  0.805125  0.023317  0.511104  1
  Fe  Fe92  1  0.708547  0.407013  0.536750  1
  Fe  Fe93  1  0.611637  0.790704  0.562292  1
  Fe  Fe94  1  0.395412  0.319306  0.518643  1
  Fe  Fe95  1  0.298259  0.703005  0.544168  1
  Fe  Fe96  1  0.201674  0.086695  0.569849  1
  Fe  Fe97  1  0.043077  0.242473  0.510860  1
  Fe  Fe98  1  0.946104  0.626225  0.536398  1
  Fe  Fe99  1  0.849440  0.009867  0.562102  1
  Fe  Fe100  1  0.883785  0.158873  0.553190  1
  Fe  Fe101  1  0.787812  0.542752  0.578773  1
  Fe  Fe102  1  0.980393  0.775179  0.527475  1
  Fe  Fe103  1  0.026529  0.334793  0.553476  1
  Fe  Fe104  1  0.219483  0.567297  0.502135  1
  Fe  Fe105  1  0.122825  0.951071  0.527791  1
  Fe  Fe106  1  0.656390  0.267744  0.550853  1
  Fe  Fe107  1  0.559315  0.651557  0.576434  1
  Fe  Fe108  1  0.752660  0.884058  0.525169  1
  Fe  Fe109  1  0.543402  0.118017  0.530027  1
  Fe  Fe110  1  0.446785  0.501829  0.555637  1
  Fe  Fe111  1  0.639873  0.734371  0.504308  1
  Fe  Fe112  1  0.254060  0.225917  0.555800  1
  Fe  Fe113  1  0.447542  0.458505  0.504503  1
  Fe  Fe114  1  0.350657  0.842226  0.530089  1
  Fe  Fe115  1  0.157478  0.100127  0.518880  1
  Fe  Fe116  1  0.060815  0.483817  0.544528  1
  Fe  Fe117  1  0.963871  0.867543  0.570053  1
  Fe  Fe118  1  0.367059  0.375706  0.576635  1
  Fe  Fe119  1  0.560209  0.608117  0.525261  1
  Fe  Fe120  1  0.463638  0.991973  0.550955  1
  Fe  Fe121  1  0.514836  0.174380  0.588012  1
  Fe  Fe122  1  0.418800  0.557971  0.613744  1
  Fe  Fe123  1  0.321920  0.941459  0.639398  1
  Fe  Fe124  1  0.105526  0.470417  0.595500  1
  Fe  Fe125  1  0.008389  0.854009  0.621178  1
  Fe  Fe126  1  0.911530  0.237825  0.646765  1
  Fe  Fe127  1  0.753120  0.393575  0.587729  1
  Fe  Fe128  1  0.655932  0.777264  0.613265  1
  Fe  Fe129  1  0.559126  0.160659  0.638997  1
  Fe  Fe130  1  0.594238  0.310072  0.630061  1
  Fe  Fe131  1  0.496746  0.693107  0.655729  1
  Fe  Fe132  1  0.690829  0.926364  0.604369  1
  Fe  Fe133  1  0.736990  0.486024  0.630387  1
  Fe  Fe134  1  0.929456  0.718073  0.578840  1
  Fe  Fe135  1  0.832423  0.102336  0.604790  1
  Fe  Fe136  1  0.366425  0.418849  0.627669  1
  Fe  Fe137  1  0.269677  0.801631  0.653054  1
  Fe  Fe138  1  0.462423  0.035342  0.602180  1
  Fe  Fe139  1  0.253284  0.269178  0.606826  1
  Fe  Fe140  1  0.157351  0.652792  0.632639  1
  Fe  Fe141  1  0.349657  0.885511  0.581194  1
  Fe  Fe142  1  0.964219  0.377090  0.632687  1
  Fe  Fe143  1  0.158140  0.609530  0.581378  1
  Fe  Fe144  1  0.061341  0.993516  0.607005  1
  Fe  Fe145  1  0.867430  0.251241  0.595816  1
  Fe  Fe146  1  0.770917  0.634849  0.621350  1
  Fe  Fe147  1  0.673664  0.018566  0.646996  1
  Fe  Fe148  1  0.078196  0.526863  0.653502  1
  Fe  Fe149  1  0.270673  0.759147  0.602077  1
  Fe  Fe150  1  0.172676  0.142570  0.627873  1
  Fe  Fe151  1  0.225474  0.325451  0.664675  1
  Fe  Fe152  1  0.131759  0.709047  0.691046  1
  Fe  Fe153  1  0.035195  0.092358  0.717670  1
  Fe  Fe154  1  0.815827  0.622043  0.672356  1
  Fe  Fe155  1  0.718775  0.005104  0.698084  1
  Fe  Fe156  1  0.634442  0.391101  0.724629  1
  Fe  Fe157  1  0.464127  0.544594  0.664776  1
  Fe  Fe158  1  0.364613  0.927989  0.691102  1
  Fe  Fe159  1  0.274483  0.311033  0.715600  1
  Fe  Fe160  1  0.307215  0.460837  0.706896  1
  Fe  Fe161  1  0.216169  0.841660  0.732015  1
  Fe  Fe162  1  0.398968  0.077206  0.681463  1
  Fe  Fe163  1  0.450654  0.637418  0.707636  1
  Fe  Fe164  1  0.638746  0.869530  0.655610  1
  Fe  Fe165  1  0.541815  0.253033  0.681118  1
  Fe  Fe166  1  0.076676  0.568142  0.704812  1
  Fe  Fe167  1  0.979502  0.950995  0.730368  1
  Fe  Fe168  1  0.173616  0.185644  0.678771  1
  Fe  Fe169  1  0.964219  0.420473  0.683741  1
  Fe  Fe170  1  0.860769  0.807710  0.708265  1
  Fe  Fe171  1  0.059744  0.036411  0.658313  1
  Fe  Fe172  1  0.679434  0.528314  0.709780  1
  Fe  Fe173  1  0.866656  0.760602  0.657985  1
  Fe  Fe174  1  0.771898  0.144833  0.684062  1
  Fe  Fe175  1  0.578473  0.402840  0.672359  1
  Fe  Fe176  1  0.480303  0.786354  0.697939  1
  Fe  Fe177  1  0.388578  0.170977  0.724226  1
  Fe  Fe178  1  0.853024  0.682855  0.726902  1
  Fe  Fe179  1  0.981584  0.911663  0.678841  1
  Fe  Fe180  1  0.883257  0.292457  0.704966  1
  C  C181  1  0.722536  0.683461  0.282355  1
  C  C182  1  0.620934  0.069703  0.307745  1
  C  C183  1  0.524122  0.452901  0.332958  1
  C  C184  1  0.240420  0.572928  0.281148  1
  C  C185  1  0.148235  0.955150  0.305767  1
  C  C186  1  0.050223  0.339451  0.331536  1
  C  C187  1  0.696550  0.864548  0.287699  1
  C  C188  1  0.598051  0.247453  0.313293  1
  C  C189  1  0.502184  0.631759  0.338824  1
  C  C190  1  0.219521  0.750511  0.286796  1
  C  C191  1  0.128281  0.133913  0.312780  1
  C  C192  1  0.027353  0.517488  0.337897  1
  C  C193  1  0.429416  0.837112  0.358518  1
  C  C194  1  0.332060  0.220896  0.384508  1
  C  C195  1  0.235257  0.604515  0.409842  1
  C  C196  1  0.954662  0.722855  0.357809  1
  C  C197  1  0.857992  0.106378  0.383394  1
  C  C198  1  0.760419  0.489988  0.408867  1
  C  C199  1  0.405989  0.015422  0.364595  1
  C  C200  1  0.308685  0.399185  0.390143  1
  C  C201  1  0.213057  0.783028  0.415779  1
  C  C202  1  0.931870  0.901474  0.363354  1
  C  C203  1  0.834645  0.284948  0.389119  1
  C  C204  1  0.738048  0.668535  0.414744  1
  C  C205  1  0.138696  0.988231  0.435531  1
  C  C206  1  0.042030  0.371922  0.461192  1
  C  C207  1  0.945227  0.755623  0.486726  1
  C  C208  1  0.664385  0.873840  0.434419  1
  C  C209  1  0.568021  0.257537  0.460186  1
  C  C210  1  0.470625  0.641161  0.485708  1
  C  C211  1  0.116297  0.166667  0.441472  1
  C  C212  1  0.019243  0.550330  0.467034  1
  C  C213  1  0.922716  0.934069  0.492678  1
  C  C214  1  0.641891  0.052215  0.440433  1
  C  C215  1  0.544887  0.435906  0.466025  1
  C  C216  1  0.448245  0.819605  0.491625  1
  C  C217  1  0.848731  0.139318  0.512440  1
  C  C218  1  0.752089  0.523018  0.538039  1
  C  C219  1  0.655085  0.906708  0.563632  1
  C  C220  1  0.374260  0.024855  0.511387  1
  C  C221  1  0.277734  0.408593  0.537030  1
  C  C222  1  0.180679  0.792256  0.562593  1
  C  C223  1  0.826351  0.317762  0.518356  1
  C  C224  1  0.728955  0.701386  0.543878  1
  C  C225  1  0.632591  0.085083  0.569645  1
  C  C226  1  0.351749  0.203301  0.517339  1
  C  C227  1  0.254947  0.587001  0.542872  1
  C  C228  1  0.158281  0.970693  0.568533  1
  C  C229  1  0.558928  0.290388  0.589320  1
  C  C230  1  0.462331  0.673976  0.614945  1
  C  C231  1  0.365106  0.057449  0.640710  1
  C  C232  1  0.083920  0.175895  0.588285  1
  C  C233  1  0.988292  0.559739  0.613922  1
  C  C234  1  0.890987  0.943502  0.639469  1
  C  C235  1  0.536557  0.468936  0.595198  1
  C  C236  1  0.438985  0.852546  0.620670  1
  C  C237  1  0.342315  0.236068  0.646256  1
  C  C238  1  0.061719  0.354409  0.594222  1
  C  C239  1  0.964917  0.738027  0.619557  1
  C  C240  1  0.867560  0.121811  0.645546  1
  C  C241  1  0.269623  0.441435  0.666167  1
  C  C242  1  0.168695  0.825011  0.691284  1
  C  C243  1  0.077456  0.208412  0.717269  1
  C  C244  1  0.794792  0.327164  0.665240  1
  C  C245  1  0.698926  0.711470  0.690771  1
  C  C246  1  0.600426  0.094376  0.716365  1
  C  C247  1  0.246754  0.619472  0.672528  1
  C  C248  1  0.148741  0.003774  0.698297  1
  C  C249  1  0.056557  0.385996  0.722916  1
  C  C250  1  0.772854  0.506022  0.671106  1
  C  C251  1  0.676042  0.889221  0.696319  1
  C  C252  1  0.574440  0.275462  0.721709  1
