# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79301605
_cell_length_b   20.67998524
_cell_length_c   50.11897190
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe200 C80'
_cell_volume   4967.76749749
_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  0.571010  0.533835  0.330180  1
  Fe  Fe2  1  0.589498  0.023120  0.283446  1
  Fe  Fe3  1  0.066966  0.368718  0.283109  1
  Fe  Fe4  1  0.078927  0.878527  0.329356  1
  Fe  Fe5  1  0.387371  0.434434  0.309909  1
  Fe  Fe6  1  0.395463  0.941753  0.355167  1
  Fe  Fe7  1  0.889405  0.469058  0.304135  1
  Fe  Fe8  1  0.893238  0.976970  0.349223  1
  Fe  Fe9  1  0.106549  0.476970  0.349223  1
  Fe  Fe10  1  0.110382  0.969058  0.304135  1
  Fe  Fe11  1  0.604324  0.441753  0.355167  1
  Fe  Fe12  1  0.612415  0.934434  0.309909  1
  Fe  Fe13  1  0.410289  0.523120  0.283446  1
  Fe  Fe14  1  0.428776  0.033835  0.330180  1
  Fe  Fe15  1  0.920860  0.378527  0.329356  1
  Fe  Fe16  1  0.932821  0.868718  0.283109  1
  Fe  Fe17  1  0.025558  0.582360  0.341032  1
  Fe  Fe18  1  0.035299  0.074832  0.295722  1
  Fe  Fe19  1  0.964487  0.574832  0.295722  1
  Fe  Fe20  1  0.974229  0.082360  0.341032  1
  Fe  Fe21  1  0.077545  0.286177  0.352936  1
  Fe  Fe22  1  0.069281  0.780532  0.307795  1
  Fe  Fe23  1  0.572655  0.123997  0.306449  1
  Fe  Fe24  1  0.576055  0.632164  0.352173  1
  Fe  Fe25  1  0.889357  0.188417  0.332600  1
  Fe  Fe26  1  0.890673  0.682037  0.287351  1
  Fe  Fe27  1  0.392707  0.223342  0.327080  1
  Fe  Fe28  1  0.388386  0.715319  0.281786  1
  Fe  Fe29  1  0.611401  0.215319  0.281786  1
  Fe  Fe30  1  0.607080  0.723342  0.327080  1
  Fe  Fe31  1  0.109114  0.182037  0.287351  1
  Fe  Fe32  1  0.110430  0.688417  0.332600  1
  Fe  Fe33  1  0.930506  0.280532  0.307795  1
  Fe  Fe34  1  0.922242  0.786177  0.352936  1
  Fe  Fe35  1  0.423731  0.132164  0.352173  1
  Fe  Fe36  1  0.427131  0.623997  0.306449  1
  Fe  Fe37  1  0.514887  0.324705  0.272874  1
  Fe  Fe38  1  0.526665  0.828712  0.318516  1
  Fe  Fe39  1  0.473122  0.328712  0.318516  1
  Fe  Fe40  1  0.484900  0.824705  0.272874  1
  Fe  Fe41  1  0.574030  0.547554  0.420883  1
  Fe  Fe42  1  0.577471  0.040036  0.375371  1
  Fe  Fe43  1  0.072815  0.384891  0.374723  1
  Fe  Fe44  1  0.077403  0.892880  0.420084  1
  Fe  Fe45  1  0.387667  0.448886  0.400536  1
  Fe  Fe46  1  0.393019  0.956165  0.445999  1
  Fe  Fe47  1  0.889305  0.484153  0.394948  1
  Fe  Fe48  1  0.892623  0.991345  0.440380  1
  Fe  Fe49  1  0.107164  0.491345  0.440380  1
  Fe  Fe50  1  0.110482  0.984153  0.394948  1
  Fe  Fe51  1  0.606768  0.456165  0.445999  1
  Fe  Fe52  1  0.612120  0.948886  0.400536  1
  Fe  Fe53  1  0.422316  0.540036  0.375371  1
  Fe  Fe54  1  0.425757  0.047554  0.420883  1
  Fe  Fe55  1  0.922384  0.392880  0.420084  1
  Fe  Fe56  1  0.926972  0.884891  0.374723  1
  Fe  Fe57  1  0.025319  0.596874  0.431966  1
  Fe  Fe58  1  0.027774  0.089725  0.386457  1
  Fe  Fe59  1  0.972013  0.589725  0.386457  1
  Fe  Fe60  1  0.974468  0.096874  0.431966  1
  Fe  Fe61  1  0.076307  0.301091  0.443866  1
  Fe  Fe62  1  0.074119  0.794445  0.398450  1
  Fe  Fe63  1  0.576086  0.139062  0.397518  1
  Fe  Fe64  1  0.574511  0.646351  0.443018  1
  Fe  Fe65  1  0.891259  0.202509  0.423443  1
  Fe  Fe66  1  0.891823  0.695319  0.378105  1
  Fe  Fe67  1  0.391874  0.237694  0.417992  1
  Fe  Fe68  1  0.389604  0.730647  0.372419  1
  Fe  Fe69  1  0.610183  0.230647  0.372419  1
  Fe  Fe70  1  0.607913  0.737694  0.417992  1
  Fe  Fe71  1  0.107963  0.195319  0.378105  1
  Fe  Fe72  1  0.108527  0.702509  0.423443  1
  Fe  Fe73  1  0.925668  0.294445  0.398450  1
  Fe  Fe74  1  0.923480  0.801091  0.443866  1
  Fe  Fe75  1  0.425276  0.146351  0.443018  1
  Fe  Fe76  1  0.423700  0.639062  0.397518  1
  Fe  Fe77  1  0.525186  0.336031  0.363848  1
  Fe  Fe78  1  0.525225  0.843281  0.409296  1
  Fe  Fe79  1  0.474562  0.343281  0.409296  1
  Fe  Fe80  1  0.474601  0.836031  0.363848  1
  Fe  Fe81  1  0.573672  0.562085  0.511776  1
  Fe  Fe82  1  0.577224  0.054680  0.466348  1
  Fe  Fe83  1  0.073540  0.399545  0.465487  1
  Fe  Fe84  1  0.077275  0.907187  0.510951  1
  Fe  Fe85  1  0.388870  0.463228  0.491426  1
  Fe  Fe86  1  0.392902  0.970574  0.536837  1
  Fe  Fe87  1  0.889109  0.498527  0.485859  1
  Fe  Fe88  1  0.893206  0.005697  0.531287  1
  Fe  Fe89  1  0.106581  0.505697  0.531287  1
  Fe  Fe90  1  0.110678  0.998527  0.485859  1
  Fe  Fe91  1  0.606885  0.470574  0.536837  1
  Fe  Fe92  1  0.610917  0.963228  0.491426  1
  Fe  Fe93  1  0.422563  0.554680  0.466348  1
  Fe  Fe94  1  0.426115  0.062085  0.511776  1
  Fe  Fe95  1  0.922512  0.407187  0.510951  1
  Fe  Fe96  1  0.926246  0.899545  0.465487  1
  Fe  Fe97  1  0.024809  0.611349  0.522852  1
  Fe  Fe98  1  0.027908  0.104198  0.477383  1
  Fe  Fe99  1  0.971878  0.604198  0.477383  1
  Fe  Fe100  1  0.974978  0.111349  0.522852  1
  Fe  Fe101  1  0.076799  0.315411  0.534756  1
  Fe  Fe102  1  0.074268  0.808784  0.489349  1
  Fe  Fe103  1  0.576645  0.153536  0.488435  1
  Fe  Fe104  1  0.574299  0.660882  0.533913  1
  Fe  Fe105  1  0.891900  0.216990  0.514375  1
  Fe  Fe106  1  0.890044  0.709807  0.468946  1
  Fe  Fe107  1  0.392251  0.252228  0.508827  1
  Fe  Fe108  1  0.389579  0.745125  0.463384  1
  Fe  Fe109  1  0.610208  0.245125  0.463384  1
  Fe  Fe110  1  0.607535  0.752228  0.508827  1
  Fe  Fe111  1  0.109743  0.209807  0.468946  1
  Fe  Fe112  1  0.107887  0.716990  0.514375  1
  Fe  Fe113  1  0.925519  0.308784  0.489349  1
  Fe  Fe114  1  0.922988  0.815411  0.534756  1
  Fe  Fe115  1  0.425488  0.160882  0.533913  1
  Fe  Fe116  1  0.423142  0.653536  0.488435  1
  Fe  Fe117  1  0.524281  0.350611  0.454632  1
  Fe  Fe118  1  0.524825  0.857668  0.500188  1
  Fe  Fe119  1  0.474962  0.357668  0.500188  1
  Fe  Fe120  1  0.475506  0.850611  0.454632  1
  Fe  Fe121  1  0.572599  0.576516  0.602577  1
  Fe  Fe122  1  0.577600  0.069077  0.557251  1
  Fe  Fe123  1  0.072650  0.413805  0.556299  1
  Fe  Fe124  1  0.078502  0.921525  0.601836  1
  Fe  Fe125  1  0.388118  0.477608  0.582264  1
  Fe  Fe126  1  0.394500  0.984892  0.627826  1
  Fe  Fe127  1  0.887668  0.512896  0.576757  1
  Fe  Fe128  1  0.896921  0.019999  0.622063  1
  Fe  Fe129  1  0.102866  0.519999  0.622063  1
  Fe  Fe130  1  0.112119  0.012896  0.576757  1
  Fe  Fe131  1  0.605287  0.484892  0.627826  1
  Fe  Fe132  1  0.611669  0.977608  0.582264  1
  Fe  Fe133  1  0.422187  0.569077  0.557251  1
  Fe  Fe134  1  0.427188  0.076516  0.602577  1
  Fe  Fe135  1  0.921285  0.421525  0.601836  1
  Fe  Fe136  1  0.927137  0.913805  0.556299  1
  Fe  Fe137  1  0.024540  0.625830  0.613741  1
  Fe  Fe138  1  0.028731  0.118690  0.568275  1
  Fe  Fe139  1  0.971055  0.618690  0.568275  1
  Fe  Fe140  1  0.975247  0.125830  0.613741  1
  Fe  Fe141  1  0.077213  0.329673  0.625652  1
  Fe  Fe142  1  0.073714  0.823316  0.580281  1
  Fe  Fe143  1  0.577532  0.167964  0.579379  1
  Fe  Fe144  1  0.572592  0.675567  0.624839  1
  Fe  Fe145  1  0.892529  0.231468  0.605247  1
  Fe  Fe146  1  0.889752  0.724142  0.559894  1
  Fe  Fe147  1  0.391923  0.266675  0.599767  1
  Fe  Fe148  1  0.389120  0.759508  0.554305  1
  Fe  Fe149  1  0.610667  0.259508  0.554305  1
  Fe  Fe150  1  0.607864  0.766675  0.599767  1
  Fe  Fe151  1  0.110035  0.224142  0.559894  1
  Fe  Fe152  1  0.107258  0.731468  0.605247  1
  Fe  Fe153  1  0.926073  0.323316  0.580281  1
  Fe  Fe154  1  0.922574  0.829673  0.625652  1
  Fe  Fe155  1  0.427195  0.175567  0.624839  1
  Fe  Fe156  1  0.422255  0.667964  0.579379  1
  Fe  Fe157  1  0.524201  0.365004  0.545512  1
  Fe  Fe158  1  0.524314  0.871945  0.591104  1
  Fe  Fe159  1  0.475472  0.371945  0.591104  1
  Fe  Fe160  1  0.475586  0.865004  0.545512  1
  Fe  Fe161  1  0.567804  0.590512  0.693825  1
  Fe  Fe162  1  0.579827  0.083556  0.648090  1
  Fe  Fe163  1  0.070686  0.428323  0.647074  1
  Fe  Fe164  1  0.080280  0.935640  0.692701  1
  Fe  Fe165  1  0.386578  0.492096  0.672725  1
  Fe  Fe166  1  0.390671  0.998573  0.718618  1
  Fe  Fe167  1  0.883358  0.526969  0.667513  1
  Fe  Fe168  1  0.892494  0.033000  0.712932  1
  Fe  Fe169  1  0.107293  0.533000  0.712932  1
  Fe  Fe170  1  0.116429  0.026969  0.667513  1
  Fe  Fe171  1  0.609116  0.498573  0.718618  1
  Fe  Fe172  1  0.613209  0.992096  0.672725  1
  Fe  Fe173  1  0.419960  0.583556  0.648090  1
  Fe  Fe174  1  0.431982  0.090512  0.693825  1
  Fe  Fe175  1  0.919507  0.435640  0.692701  1
  Fe  Fe176  1  0.929101  0.928323  0.647074  1
  Fe  Fe177  1  0.029539  0.639887  0.704498  1
  Fe  Fe178  1  0.028978  0.132881  0.659168  1
  Fe  Fe179  1  0.970808  0.632881  0.659168  1
  Fe  Fe180  1  0.970248  0.139887  0.704498  1
  Fe  Fe181  1  0.075702  0.346752  0.716829  1
  Fe  Fe182  1  0.074489  0.837472  0.671034  1
  Fe  Fe183  1  0.577500  0.181106  0.670127  1
  Fe  Fe184  1  0.583915  0.691166  0.716787  1
  Fe  Fe185  1  0.896792  0.245918  0.696193  1
  Fe  Fe186  1  0.888373  0.738371  0.651172  1
  Fe  Fe187  1  0.397272  0.279978  0.690110  1
  Fe  Fe188  1  0.390936  0.773912  0.645198  1
  Fe  Fe189  1  0.608851  0.273912  0.645198  1
  Fe  Fe190  1  0.602515  0.779978  0.690110  1
  Fe  Fe191  1  0.111413  0.238371  0.651172  1
  Fe  Fe192  1  0.102995  0.745918  0.696193  1
  Fe  Fe193  1  0.925298  0.337472  0.671034  1
  Fe  Fe194  1  0.924085  0.846752  0.716829  1
  Fe  Fe195  1  0.415872  0.191166  0.716787  1
  Fe  Fe196  1  0.422287  0.681106  0.670127  1
  Fe  Fe197  1  0.525239  0.379558  0.636216  1
  Fe  Fe198  1  0.523847  0.887052  0.682885  1
  Fe  Fe199  1  0.475940  0.387052  0.682885  1
  Fe  Fe200  1  0.474547  0.879558  0.636216  1
  C  C201  1  0.292015  0.391825  0.342739  1
  C  C202  1  0.298087  0.885402  0.297369  1
  C  C203  1  0.793013  0.526015  0.361960  1
  C  C204  1  0.796799  0.018980  0.316255  1
  C  C205  1  0.202987  0.518980  0.316255  1
  C  C206  1  0.206774  0.026015  0.361960  1
  C  C207  1  0.701700  0.385402  0.297369  1
  C  C208  1  0.707772  0.891825  0.342739  1
  C  C209  1  0.800035  0.130907  0.274997  1
  C  C210  1  0.795402  0.639425  0.320206  1
  C  C211  1  0.299242  0.265471  0.294077  1
  C  C212  1  0.293027  0.772709  0.339476  1
  C  C213  1  0.706759  0.272709  0.339476  1
  C  C214  1  0.700544  0.765471  0.294077  1
  C  C215  1  0.204385  0.139425  0.320206  1
  C  C216  1  0.199752  0.630907  0.274997  1
  C  C217  1  0.292973  0.406826  0.433523  1
  C  C218  1  0.296888  0.899978  0.388116  1
  C  C219  1  0.792945  0.540492  0.452890  1
  C  C220  1  0.796026  0.033277  0.407412  1
  C  C221  1  0.203761  0.533277  0.407412  1
  C  C222  1  0.206841  0.040492  0.452890  1
  C  C223  1  0.702898  0.399978  0.388116  1
  C  C224  1  0.706814  0.906826  0.433523  1
  C  C225  1  0.794902  0.145918  0.365498  1
  C  C226  1  0.793752  0.653406  0.411033  1
  C  C227  1  0.295599  0.279551  0.385005  1
  C  C228  1  0.293857  0.787051  0.430393  1
  C  C229  1  0.705930  0.287051  0.430393  1
  C  C230  1  0.704188  0.779551  0.385005  1
  C  C231  1  0.206034  0.153406  0.411033  1
  C  C232  1  0.204885  0.645918  0.365498  1
  C  C233  1  0.292995  0.421221  0.524395  1
  C  C234  1  0.296259  0.914189  0.478950  1
  C  C235  1  0.792567  0.554945  0.543778  1
  C  C236  1  0.796422  0.047695  0.498339  1
  C  C237  1  0.203365  0.547695  0.498339  1
  C  C238  1  0.207220  0.054945  0.543778  1
  C  C239  1  0.703527  0.414189  0.478950  1
  C  C240  1  0.706792  0.921221  0.524395  1
  C  C241  1  0.795749  0.160585  0.456440  1
  C  C242  1  0.793336  0.667890  0.501912  1
  C  C243  1  0.295435  0.294129  0.475860  1
  C  C244  1  0.293589  0.801487  0.521321  1
  C  C245  1  0.706198  0.301487  0.521321  1
  C  C246  1  0.704352  0.794129  0.475860  1
  C  C247  1  0.206451  0.167890  0.501912  1
  C  C248  1  0.204038  0.660585  0.456440  1
  C  C249  1  0.291968  0.435575  0.615218  1
  C  C250  1  0.296908  0.928580  0.569804  1
  C  C251  1  0.790636  0.569740  0.634641  1
  C  C252  1  0.797591  0.062030  0.589192  1
  C  C253  1  0.202195  0.562030  0.589192  1
  C  C254  1  0.209151  0.069740  0.634641  1
  C  C255  1  0.702879  0.428580  0.569804  1
  C  C256  1  0.707818  0.935575  0.615218  1
  C  C257  1  0.796025  0.174987  0.547345  1
  C  C258  1  0.792348  0.682364  0.592874  1
  C  C259  1  0.295752  0.308489  0.566763  1
  C  C260  1  0.293193  0.815717  0.612233  1
  C  C261  1  0.706593  0.315717  0.612233  1
  C  C262  1  0.704034  0.808489  0.566763  1
  C  C263  1  0.207438  0.182364  0.592874  1
  C  C264  1  0.203762  0.674987  0.547345  1
  C  C265  1  0.288804  0.451833  0.705996  1
  C  C266  1  0.299102  0.942263  0.660681  1
  C  C267  1  0.795878  0.583456  0.725226  1
  C  C268  1  0.800154  0.075466  0.679968  1
  C  C269  1  0.199632  0.575466  0.679968  1
  C  C270  1  0.203909  0.083456  0.725226  1
  C  C271  1  0.700685  0.442263  0.660681  1
  C  C272  1  0.710983  0.951833  0.705996  1
  C  C273  1  0.797801  0.189604  0.638274  1
  C  C274  1  0.790818  0.695687  0.683965  1
  C  C275  1  0.296277  0.323678  0.657681  1
  C  C276  1  0.291130  0.829328  0.703129  1
  C  C277  1  0.708657  0.329328  0.703129  1
  C  C278  1  0.703510  0.823678  0.657681  1
  C  C279  1  0.208969  0.195687  0.683965  1
  C  C280  1  0.201986  0.689604  0.638274  1
