# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56418637
_cell_length_b   21.34087442
_cell_length_c   51.28605668
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.85287361
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe200 C80'
_cell_volume   4977.54550392
_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  0.194636  0.227423  0.321193  1
  Fe  Fe2  1  0.683579  0.702837  0.275958  1
  Fe  Fe3  1  0.703217  0.399194  0.352746  1
  Fe  Fe4  1  0.199250  0.873816  0.307959  1
  Fe  Fe5  1  0.958665  0.308815  0.295021  1
  Fe  Fe6  1  0.483558  0.833384  0.341700  1
  Fe  Fe7  1  0.920483  0.299188  0.344466  1
  Fe  Fe8  1  0.409440  0.774734  0.299381  1
  Fe  Fe9  1  0.400652  0.264321  0.273730  1
  Fe  Fe10  1  0.917598  0.785632  0.319269  1
  Fe  Fe11  1  0.469761  0.319588  0.316378  1
  Fe  Fe12  1  0.987301  0.844480  0.361641  1
  Fe  Fe13  1  0.690043  0.219101  0.307266  1
  Fe  Fe14  1  0.204181  0.744729  0.353173  1
  Fe  Fe15  1  0.195529  0.392396  0.339069  1
  Fe  Fe16  1  0.702169  0.863039  0.293688  1
  Fe  Fe17  1  0.318969  0.157555  0.279611  1
  Fe  Fe18  1  0.824785  0.680462  0.322104  1
  Fe  Fe19  1  0.830568  0.201357  0.361109  1
  Fe  Fe20  1  0.322871  0.676766  0.315752  1
  Fe  Fe21  1  0.453210  0.489424  0.343918  1
  Fe  Fe22  1  0.944363  0.962420  0.298846  1
  Fe  Fe23  1  0.947060  0.614257  0.284100  1
  Fe  Fe24  1  0.451498  0.135939  0.329911  1
  Fe  Fe25  1  0.234844  0.571705  0.318337  1
  Fe  Fe26  1  0.737878  0.096092  0.363990  1
  Fe  Fe27  1  0.173360  0.513816  0.276039  1
  Fe  Fe28  1  0.670832  0.035853  0.321606  1
  Fe  Fe29  1  0.663224  0.523626  0.296172  1
  Fe  Fe30  1  0.171919  0.047223  0.341515  1
  Fe  Fe31  1  0.734407  0.581939  0.338119  1
  Fe  Fe32  1  0.224583  0.055515  0.293321  1
  Fe  Fe33  1  0.948590  0.482576  0.329759  1
  Fe  Fe34  1  0.451971  0.959820  0.284582  1
  Fe  Fe35  1  0.459794  0.654136  0.361572  1
  Fe  Fe36  1  0.952308  0.129604  0.315762  1
  Fe  Fe37  1  0.562884  0.416964  0.299838  1
  Fe  Fe38  1  0.079428  0.942293  0.344667  1
  Fe  Fe39  1  0.064536  0.414111  0.293343  1
  Fe  Fe40  1  0.577584  0.938464  0.338632  1
  Fe  Fe41  1  0.215043  0.277746  0.412163  1
  Fe  Fe42  1  0.707236  0.752417  0.366915  1
  Fe  Fe43  1  0.723299  0.449673  0.443635  1
  Fe  Fe44  1  0.214634  0.924544  0.398420  1
  Fe  Fe45  1  0.990069  0.358644  0.386772  1
  Fe  Fe46  1  0.501699  0.884160  0.432464  1
  Fe  Fe47  1  0.940036  0.350000  0.435520  1
  Fe  Fe48  1  0.431877  0.824749  0.390175  1
  Fe  Fe49  1  0.424661  0.310029  0.364263  1
  Fe  Fe50  1  0.935970  0.835636  0.410016  1
  Fe  Fe51  1  0.495284  0.369811  0.406610  1
  Fe  Fe52  1  0.005547  0.895188  0.452342  1
  Fe  Fe53  1  0.711838  0.269976  0.398425  1
  Fe  Fe54  1  0.223331  0.795313  0.444128  1
  Fe  Fe55  1  0.220439  0.442181  0.429866  1
  Fe  Fe56  1  0.712795  0.917075  0.384605  1
  Fe  Fe57  1  0.331203  0.204724  0.367103  1
  Fe  Fe58  1  0.841544  0.730101  0.412831  1
  Fe  Fe59  1  0.849651  0.252240  0.452158  1
  Fe  Fe60  1  0.342196  0.726787  0.406746  1
  Fe  Fe61  1  0.471405  0.540155  0.434902  1
  Fe  Fe62  1  0.961252  0.014935  0.389549  1
  Fe  Fe63  1  0.961277  0.661555  0.375378  1
  Fe  Fe64  1  0.468967  0.186993  0.420850  1
  Fe  Fe65  1  0.248466  0.621416  0.409522  1
  Fe  Fe66  1  0.756662  0.146929  0.455034  1
  Fe  Fe67  1  0.179460  0.561939  0.367122  1
  Fe  Fe68  1  0.686725  0.087419  0.412771  1
  Fe  Fe69  1  0.681833  0.572730  0.386876  1
  Fe  Fe70  1  0.190208  0.098494  0.432591  1
  Fe  Fe71  1  0.751635  0.632241  0.429344  1
  Fe  Fe72  1  0.241395  0.107098  0.383693  1
  Fe  Fe73  1  0.969225  0.532814  0.421107  1
  Fe  Fe74  1  0.459362  0.007578  0.375766  1
  Fe  Fe75  1  0.476769  0.704615  0.452586  1
  Fe  Fe76  1  0.966716  0.179360  0.407084  1
  Fe  Fe77  1  0.588223  0.467565  0.389568  1
  Fe  Fe78  1  0.097226  0.993180  0.435494  1
  Fe  Fe79  1  0.085678  0.464204  0.383947  1
  Fe  Fe80  1  0.595183  0.989634  0.429524  1
  Fe  Fe81  1  0.234600  0.328445  0.503207  1
  Fe  Fe82  1  0.725514  0.803104  0.457866  1
  Fe  Fe83  1  0.742485  0.500358  0.534628  1
  Fe  Fe84  1  0.232822  0.975217  0.489236  1
  Fe  Fe85  1  0.010712  0.409436  0.477765  1
  Fe  Fe86  1  0.520185  0.935104  0.523390  1
  Fe  Fe87  1  0.959768  0.400716  0.526560  1
  Fe  Fe88  1  0.450521  0.875578  0.481043  1
  Fe  Fe89  1  0.444336  0.361006  0.455290  1
  Fe  Fe90  1  0.954068  0.886484  0.500885  1
  Fe  Fe91  1  0.514708  0.420472  0.497570  1
  Fe  Fe92  1  0.023745  0.946048  0.543199  1
  Fe  Fe93  1  0.731899  0.320840  0.489448  1
  Fe  Fe94  1  0.241437  0.846240  0.535026  1
  Fe  Fe95  1  0.240017  0.492820  0.520855  1
  Fe  Fe96  1  0.730596  0.967770  0.475464  1
  Fe  Fe97  1  0.351034  0.255655  0.458190  1
  Fe  Fe98  1  0.859805  0.780978  0.503700  1
  Fe  Fe99  1  0.869173  0.302983  0.543169  1
  Fe  Fe100  1  0.360403  0.777660  0.497658  1
  Fe  Fe101  1  0.489612  0.590869  0.525895  1
  Fe  Fe102  1  0.980191  0.065818  0.480504  1
  Fe  Fe103  1  0.978771  0.712398  0.466332  1
  Fe  Fe104  1  0.488309  0.237798  0.511910  1
  Fe  Fe105  1  0.266140  0.672154  0.500473  1
  Fe  Fe106  1  0.775872  0.197632  0.546068  1
  Fe  Fe107  1  0.196463  0.612590  0.458159  1
  Fe  Fe108  1  0.705500  0.138166  0.503789  1
  Fe  Fe109  1  0.700023  0.623534  0.477968  1
  Fe  Fe110  1  0.209495  0.149202  0.523593  1
  Fe  Fe111  1  0.769687  0.683060  0.520316  1
  Fe  Fe112  1  0.260440  0.157922  0.474799  1
  Fe  Fe113  1  0.987386  0.583421  0.512123  1
  Fe  Fe114  1  0.477723  0.058280  0.466730  1
  Fe  Fe115  1  0.494694  0.755535  0.543492  1
  Fe  Fe116  1  0.985608  0.230193  0.498151  1
  Fe  Fe117  1  0.606297  0.518220  0.480825  1
  Fe  Fe118  1  0.115553  0.043854  0.526435  1
  Fe  Fe119  1  0.104655  0.514784  0.474924  1
  Fe  Fe120  1  0.613911  0.040418  0.520533  1
  Fe  Fe121  1  0.253491  0.379278  0.594275  1
  Fe  Fe122  1  0.743439  0.854023  0.548773  1
  Fe  Fe123  1  0.760846  0.551060  0.625592  1
  Fe  Fe124  1  0.250983  0.025824  0.580251  1
  Fe  Fe125  1  0.030000  0.460145  0.568767  1
  Fe  Fe126  1  0.538375  0.985908  0.614482  1
  Fe  Fe127  1  0.978813  0.451541  0.617665  1
  Fe  Fe128  1  0.468573  0.926397  0.572014  1
  Fe  Fe129  1  0.463546  0.411709  0.546324  1
  Fe  Fe130  1  0.971742  0.937222  0.591837  1
  Fe  Fe131  1  0.533483  0.471219  0.588587  1
  Fe  Fe132  1  0.040748  0.996699  0.634237  1
  Fe  Fe133  1  0.751240  0.371645  0.580508  1
  Fe  Fe134  1  0.258930  0.897083  0.625980  1
  Fe  Fe135  1  0.258956  0.543703  0.611809  1
  Fe  Fe136  1  0.748803  0.018484  0.566457  1
  Fe  Fe137  1  0.370557  0.306399  0.549200  1
  Fe  Fe138  1  0.878012  0.831851  0.594613  1
  Fe  Fe139  1  0.889005  0.353914  0.634255  1
  Fe  Fe140  1  0.378663  0.828537  0.588528  1
  Fe  Fe141  1  0.507413  0.641563  0.616753  1
  Fe  Fe142  1  -0.000231  0.116458  0.571492  1
  Fe  Fe143  1  0.996877  0.763325  0.557230  1
  Fe  Fe144  1  0.508369  0.288662  0.602934  1
  Fe  Fe145  1  0.284238  0.723002  0.591342  1
  Fe  Fe146  1  0.795547  0.248609  0.637096  1
  Fe  Fe147  1  0.214661  0.663450  0.549016  1
  Fe  Fe148  1  0.724924  0.188827  0.594748  1
  Fe  Fe149  1  0.718509  0.674478  0.568894  1
  Fe  Fe150  1  0.230139  0.199994  0.614586  1
  Fe  Fe151  1  0.788330  0.733890  0.611183  1
  Fe  Fe152  1  0.280172  0.208638  0.565839  1
  Fe  Fe153  1  0.005574  0.634095  0.602939  1
  Fe  Fe154  1  0.496909  0.108965  0.557724  1
  Fe  Fe155  1  0.512972  0.806221  0.634443  1
  Fe  Fe156  1  0.005165  0.280893  0.589196  1
  Fe  Fe157  1  0.625025  0.569004  0.571835  1
  Fe  Fe158  1  0.134530  0.094434  0.617411  1
  Fe  Fe159  1  0.122982  0.565459  0.565865  1
  Fe  Fe160  1  0.631985  0.091073  0.611790  1
  Fe  Fe161  1  0.267900  0.429035  0.685596  1
  Fe  Fe162  1  0.760413  0.904502  0.639786  1
  Fe  Fe163  1  0.768236  0.598818  0.716776  1
  Fe  Fe164  1  0.271617  0.076062  0.671599  1
  Fe  Fe165  1  0.048289  0.511416  0.659844  1
  Fe  Fe166  1  0.556984  0.035012  0.705186  1
  Fe  Fe167  1  0.995625  0.503123  0.708037  1
  Fe  Fe168  1  0.485801  0.976699  0.663240  1
  Fe  Fe169  1  0.482330  0.462546  0.637368  1
  Fe  Fe170  1  0.985363  0.986933  0.683022  1
  Fe  Fe171  1  0.549376  0.522785  0.679752  1
  Fe  Fe172  1  0.046848  0.044823  0.725319  1
  Fe  Fe173  1  0.768710  0.422699  0.671447  1
  Fe  Fe174  1  0.273148  0.944381  0.717258  1
  Fe  Fe175  1  0.275845  0.596218  0.702512  1
  Fe  Fe176  1  0.766998  0.069214  0.657440  1
  Fe  Fe177  1  0.389640  0.357281  0.640249  1
  Fe  Fe178  1  0.897337  0.881872  0.685606  1
  Fe  Fe179  1  0.901239  0.401084  0.721747  1
  Fe  Fe180  1  0.395423  0.878176  0.679255  1
  Fe  Fe181  1  0.518039  0.695600  0.707671  1
  Fe  Fe182  1  0.024679  0.166242  0.662289  1
  Fe  Fe183  1  0.016027  0.813909  0.648186  1
  Fe  Fe184  1  0.530165  0.339537  0.694092  1
  Fe  Fe185  1  0.302610  0.773007  0.682090  1
  Fe  Fe186  1  0.819556  0.294318  0.727629  1
  Fe  Fe187  1  0.232906  0.714159  0.639717  1
  Fe  Fe188  1  0.750447  0.239050  0.684980  1
  Fe  Fe189  1  0.736649  0.725255  0.659658  1
  Fe  Fe190  1  0.261543  0.249823  0.706337  1
  Fe  Fe191  1  0.810768  0.783905  0.701978  1
  Fe  Fe192  1  0.299725  0.259451  0.656892  1
  Fe  Fe193  1  0.020958  0.684822  0.693399  1
  Fe  Fe194  1  0.516991  0.159444  0.648612  1
  Fe  Fe195  1  0.536629  0.855801  0.725401  1
  Fe  Fe196  1  0.025571  0.331215  0.680166  1
  Fe  Fe197  1  0.642624  0.620174  0.662726  1
  Fe  Fe198  1  0.155671  0.144527  0.708016  1
  Fe  Fe199  1  0.140780  0.616345  0.656691  1
  Fe  Fe200  1  0.657324  0.141675  0.701520  1
  C  C201  1  0.329768  0.348616  0.283536  1
  C  C202  1  0.848290  0.873108  0.328713  1
  C  C203  1  0.552969  0.249339  0.340007  1
  C  C204  1  0.041646  0.725157  0.294744  1
  C  C205  1  0.040251  0.221685  0.286330  1
  C  C206  1  0.552675  0.745593  0.332080  1
  C  C207  1  0.840218  0.368735  0.320064  1
  C  C208  1  0.339524  0.845970  0.274964  1
  C  C209  1  0.598620  0.611852  0.305280  1
  C  C210  1  0.101692  0.135811  0.350793  1
  C  C211  1  0.811573  0.512291  0.362586  1
  C  C212  1  0.302056  0.986297  0.317460  1
  C  C213  1  0.299686  0.483008  0.309041  1
  C  C214  1  0.807686  0.007653  0.354689  1
  C  C215  1  0.102235  0.631536  0.342750  1
  C  C216  1  0.593321  0.105046  0.297470  1
  C  C217  1  0.354351  0.398548  0.373765  1
  C  C218  1  0.866032  0.924093  0.419475  1
  C  C219  1  0.572265  0.300252  0.431057  1
  C  C220  1  0.064396  0.774823  0.385830  1
  C  C221  1  0.060252  0.270354  0.377345  1
  C  C222  1  0.571593  0.795765  0.423023  1
  C  C223  1  0.863218  0.419546  0.410992  1
  C  C224  1  0.355187  0.894336  0.365818  1
  C  C225  1  0.612807  0.661175  0.396455  1
  C  C226  1  0.120614  0.186799  0.441932  1
  C  C227  1  0.828715  0.562806  0.453758  1
  C  C228  1  0.318622  0.037776  0.408367  1
  C  C229  1  0.317745  0.533057  0.400041  1
  C  C230  1  0.826168  0.058588  0.445657  1
  C  C231  1  0.119290  0.682060  0.433744  1
  C  C232  1  0.609280  0.156748  0.388238  1
  C  C233  1  0.374810  0.449320  0.464703  1
  C  C234  1  0.884413  0.974903  0.510315  1
  C  C235  1  0.591888  0.351025  0.522080  1
  C  C236  1  0.082927  0.825693  0.476712  1
  C  C237  1  0.080307  0.321128  0.468371  1
  C  C238  1  0.589710  0.846669  0.513923  1
  C  C239  1  0.882662  0.470160  0.502006  1
  C  C240  1  0.373305  0.945039  0.456620  1
  C  C241  1  0.630498  0.711969  0.487436  1
  C  C242  1  0.139901  0.237510  0.532988  1
  C  C243  1  0.846902  0.613600  0.544738  1
  C  C244  1  0.337546  0.088478  0.499353  1
  C  C245  1  0.335795  0.583735  0.491043  1
  C  C246  1  0.845398  0.109318  0.536656  1
  C  C247  1  0.137281  0.732945  0.524646  1
  C  C248  1  0.628319  0.207613  0.479278  1
  C  C249  1  0.394040  0.500050  0.555701  1
  C  C250  1  0.902463  0.025582  0.601317  1
  C  C251  1  0.610928  0.401890  0.613121  1
  C  C252  1  0.100918  0.876578  0.567614  1
  C  C253  1  0.099594  0.371839  0.559426  1
  C  C254  1  0.607401  0.897464  0.604904  1
  C  C255  1  0.901586  0.520862  0.592991  1
  C  C256  1  0.391493  0.995832  0.547601  1
  C  C257  1  0.648615  0.762874  0.578335  1
  C  C258  1  0.159956  0.288284  0.624014  1
  C  C259  1  0.865021  0.664303  0.635540  1
  C  C260  1  0.356990  0.139092  0.590366  1
  C  C261  1  0.354176  0.634545  0.581883  1
  C  C262  1  0.865857  0.160090  0.627593  1
  C  C263  1  0.155811  0.783815  0.615528  1
  C  C264  1  0.647942  0.258387  0.570301  1
  C  C265  1  0.412522  0.550986  0.646670  1
  C  C266  1  0.920522  0.075630  0.692317  1
  C  C267  1  0.626887  0.453593  0.703888  1
  C  C268  1  0.117973  0.927103  0.658608  1
  C  C269  1  0.118516  0.422827  0.650566  1
  C  C270  1  0.621588  0.946786  0.696078  1
  C  C271  1  0.918152  0.572341  0.683899  1
  C  C272  1  0.408635  0.046347  0.638773  1
  C  C273  1  0.667533  0.813046  0.669278  1
  C  C274  1  0.179957  0.336954  0.715028  1
  C  C275  1  0.880683  0.712668  0.726394  1
  C  C276  1  0.379990  0.189903  0.681294  1
  C  C277  1  0.371918  0.685531  0.672646  1
  C  C278  1  0.890440  0.210022  0.717822  1
  C  C279  1  0.178562  0.833482  0.706614  1
  C  C280  1  0.667239  0.309299  0.661352  1
