# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61124343
_cell_length_b   18.40596157
_cell_length_c   47.45967024
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.82693444
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe240 C96'
_cell_volume   5772.25569587
_cell_formula_units_Z   48
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  0.637669  0.670625  0.266412  1
  Fe  Fe2  1  0.483240  0.972439  0.285125  1
  Fe  Fe3  1  0.322320  0.272903  0.305082  1
  Fe  Fe4  1  0.832555  0.769229  0.285712  1
  Fe  Fe5  1  0.671481  0.068796  0.305419  1
  Fe  Fe6  1  0.511647  0.370430  0.324889  1
  Fe  Fe7  1  0.128462  0.579285  0.275384  1
  Fe  Fe8  1  0.976225  0.881235  0.295021  1
  Fe  Fe9  1  0.817454  0.181056  0.315059  1
  Fe  Fe10  1  0.783516  0.551906  0.292640  1
  Fe  Fe11  1  0.621031  0.852129  0.312338  1
  Fe  Fe12  1  0.950627  0.245296  0.273179  1
  Fe  Fe13  1  0.210002  0.793207  0.320166  1
  Fe  Fe14  1  0.554356  0.184690  0.280201  1
  Fe  Fe15  1  0.371852  0.491387  0.300022  1
  Fe  Fe16  1  0.478408  0.609683  0.306214  1
  Fe  Fe17  1  0.318535  0.910016  0.325663  1
  Fe  Fe18  1  0.648067  0.307671  0.285850  1
  Fe  Fe19  1  0.858580  0.650523  0.319391  1
  Fe  Fe20  1  0.181010  0.048091  0.279558  1
  Fe  Fe21  1  0.018912  0.349473  0.299792  1
  Fe  Fe22  1  0.515337  0.733902  0.306156  1
  Fe  Fe23  1  0.840350  0.113528  0.264877  1
  Fe  Fe24  1  0.685314  0.434072  0.286341  1
  Fe  Fe25  1  0.337699  0.862506  0.276594  1
  Fe  Fe26  1  0.177136  0.162365  0.297078  1
  Fe  Fe27  1  0.017013  0.463977  0.315788  1
  Fe  Fe28  1  0.133477  0.694052  0.293038  1
  Fe  Fe29  1  0.971110  0.993922  0.312929  1
  Fe  Fe30  1  0.324398  0.381422  0.275167  1
  Fe  Fe31  1  0.159294  0.574888  0.326285  1
  Fe  Fe32  1  0.999556  0.876445  0.345747  1
  Fe  Fe33  1  0.838970  0.177536  0.365294  1
  Fe  Fe34  1  0.350213  0.672043  0.344703  1
  Fe  Fe35  1  0.189468  0.973464  0.364399  1
  Fe  Fe36  1  0.028409  0.274391  0.383671  1
  Fe  Fe37  1  0.653870  0.481712  0.334830  1
  Fe  Fe38  1  0.493587  0.783470  0.354437  1
  Fe  Fe39  1  0.333677  0.084488  0.374048  1
  Fe  Fe40  1  0.301036  0.454377  0.351355  1
  Fe  Fe41  1  0.140195  0.755873  0.371035  1
  Fe  Fe42  1  0.464667  0.153618  0.331680  1
  Fe  Fe43  1  0.726207  0.696250  0.378363  1
  Fe  Fe44  1  0.050224  0.093630  0.339415  1
  Fe  Fe45  1  0.888962  0.394722  0.358789  1
  Fe  Fe46  1  0.995965  0.512079  0.364476  1
  Fe  Fe47  1  0.834797  0.813702  0.384182  1
  Fe  Fe48  1  0.160436  0.210796  0.344993  1
  Fe  Fe49  1  0.376423  0.554137  0.377762  1
  Fe  Fe50  1  0.698286  0.951843  0.338755  1
  Fe  Fe51  1  0.538292  0.252852  0.357846  1
  Fe  Fe52  1  0.031106  0.638418  0.365084  1
  Fe  Fe53  1  0.354543  0.035788  0.326070  1
  Fe  Fe54  1  0.194066  0.337356  0.345419  1
  Fe  Fe55  1  0.855896  0.765452  0.336298  1
  Fe  Fe56  1  0.694814  0.066573  0.355913  1
  Fe  Fe57  1  0.533738  0.367683  0.375309  1
  Fe  Fe58  1  0.649774  0.596956  0.351916  1
  Fe  Fe59  1  0.490630  0.897976  0.371727  1
  Fe  Fe60  1  0.810137  0.295477  0.332168  1
  Fe  Fe61  1  0.676868  0.478718  0.385099  1
  Fe  Fe62  1  0.515829  0.780115  0.404723  1
  Fe  Fe63  1  0.354961  0.081450  0.424265  1
  Fe  Fe64  1  0.866784  0.575599  0.403349  1
  Fe  Fe65  1  0.705933  0.876957  0.423079  1
  Fe  Fe66  1  0.544752  0.178328  0.442592  1
  Fe  Fe67  1  0.171662  0.385417  0.393557  1
  Fe  Fe68  1  0.010630  0.686792  0.413165  1
  Fe  Fe69  1  0.849737  0.988195  0.432830  1
  Fe  Fe70  1  0.818053  0.358230  0.410123  1
  Fe  Fe71  1  0.656780  0.659606  0.429752  1
  Fe  Fe72  1  0.979593  0.057152  0.390624  1
  Fe  Fe73  1  0.242191  0.600041  0.437027  1
  Fe  Fe74  1  0.565705  0.997563  0.398064  1
  Fe  Fe75  1  0.403924  0.298716  0.417417  1
  Fe  Fe76  1  0.512928  0.416067  0.423263  1
  Fe  Fe77  1  0.352056  0.717439  0.442932  1
  Fe  Fe78  1  0.674175  0.114865  0.403699  1
  Fe  Fe79  1  0.892960  0.457994  0.436480  1
  Fe  Fe80  1  0.215336  0.855577  0.397517  1
  Fe  Fe81  1  0.054371  0.156772  0.416927  1
  Fe  Fe82  1  0.547227  0.542228  0.423898  1
  Fe  Fe83  1  0.870343  0.939572  0.384784  1
  Fe  Fe84  1  0.709061  0.241009  0.404281  1
  Fe  Fe85  1  0.371974  0.668976  0.394947  1
  Fe  Fe86  1  0.211133  0.970323  0.414617  1
  Fe  Fe87  1  0.049885  0.271589  0.434001  1
  Fe  Fe88  1  0.167430  0.500346  0.410718  1
  Fe  Fe89  1  0.006187  0.801653  0.430387  1
  Fe  Fe90  1  0.329400  0.199143  0.391150  1
  Fe  Fe91  1  0.193459  0.382648  0.443845  1
  Fe  Fe92  1  0.032253  0.683969  0.463474  1
  Fe  Fe93  1  0.871224  0.985322  0.483093  1
  Fe  Fe94  1  0.383267  0.479507  0.462122  1
  Fe  Fe95  1  0.222244  0.780827  0.481776  1
  Fe  Fe96  1  0.061021  0.082165  0.501379  1
  Fe  Fe97  1  0.688337  0.289321  0.452354  1
  Fe  Fe98  1  0.527119  0.590637  0.471925  1
  Fe  Fe99  1  0.366082  0.892017  0.491594  1
  Fe  Fe100  1  0.334368  0.262208  0.468943  1
  Fe  Fe101  1  0.172965  0.563458  0.488505  1
  Fe  Fe102  1  0.496050  0.961058  0.449404  1
  Fe  Fe103  1  0.758636  0.503912  0.495819  1
  Fe  Fe104  1  0.081567  0.901368  0.456756  1
  Fe  Fe105  1  0.920051  0.202621  0.476233  1
  Fe  Fe106  1  0.029410  0.319901  0.482045  1
  Fe  Fe107  1  0.868335  0.621330  0.501672  1
  Fe  Fe108  1  0.190996  0.018694  0.462534  1
  Fe  Fe109  1  0.409289  0.361873  0.495242  1
  Fe  Fe110  1  0.731921  0.759365  0.456129  1
  Fe  Fe111  1  0.570744  0.060665  0.475722  1
  Fe  Fe112  1  0.063504  0.446114  0.482673  1
  Fe  Fe113  1  0.386239  0.843568  0.443585  1
  Fe  Fe114  1  0.225159  0.144964  0.463138  1
  Fe  Fe115  1  0.888418  0.572840  0.453642  1
  Fe  Fe116  1  0.727418  0.874184  0.473335  1
  Fe  Fe117  1  0.566142  0.175488  0.492834  1
  Fe  Fe118  1  0.683765  0.404182  0.469490  1
  Fe  Fe119  1  0.522507  0.705485  0.489130  1
  Fe  Fe120  1  0.845434  0.103022  0.449969  1
  Fe  Fe121  1  0.709757  0.286579  0.502624  1
  Fe  Fe122  1  0.548534  0.587918  0.522226  1
  Fe  Fe123  1  0.387511  0.889237  0.541881  1
  Fe  Fe124  1  0.899554  0.383422  0.520909  1
  Fe  Fe125  1  0.738525  0.684776  0.540528  1
  Fe  Fe126  1  0.577319  0.986096  0.560157  1
  Fe  Fe127  1  0.204635  0.193256  0.511169  1
  Fe  Fe128  1  0.043360  0.494560  0.530668  1
  Fe  Fe129  1  0.882360  0.795905  0.550361  1
  Fe  Fe130  1  0.850726  0.166124  0.527770  1
  Fe  Fe131  1  0.689211  0.467376  0.547247  1
  Fe  Fe132  1  0.012142  0.864833  0.508183  1
  Fe  Fe133  1  0.274728  0.407687  0.554599  1
  Fe  Fe134  1  0.597813  0.805287  0.515498  1
  Fe  Fe135  1  0.436409  0.106537  0.535059  1
  Fe  Fe136  1  0.545618  0.223780  0.540865  1
  Fe  Fe137  1  0.384539  0.525176  0.560418  1
  Fe  Fe138  1  0.707274  0.922630  0.521329  1
  Fe  Fe139  1  0.925344  0.265722  0.554033  1
  Fe  Fe140  1  0.248271  0.663259  0.514873  1
  Fe  Fe141  1  0.087013  0.964562  0.534513  1
  Fe  Fe142  1  0.579781  0.350051  0.541469  1
  Fe  Fe143  1  0.902443  0.747414  0.502330  1
  Fe  Fe144  1  0.741368  0.048844  0.521958  1
  Fe  Fe145  1  0.404696  0.476727  0.512409  1
  Fe  Fe146  1  0.243659  0.778107  0.532078  1
  Fe  Fe147  1  0.082441  0.079424  0.551649  1
  Fe  Fe148  1  0.200034  0.308080  0.528281  1
  Fe  Fe149  1  0.038857  0.609380  0.547874  1
  Fe  Fe150  1  0.361488  0.006872  0.508761  1
  Fe  Fe151  1  0.226026  0.190417  0.561410  1
  Fe  Fe152  1  0.064844  0.491787  0.580924  1
  Fe  Fe153  1  0.903993  0.793145  0.600654  1
  Fe  Fe154  1  0.415817  0.287294  0.579737  1
  Fe  Fe155  1  0.254949  0.588630  0.599280  1
  Fe  Fe156  1  0.093910  0.890027  0.618903  1
  Fe  Fe157  1  0.720893  0.097155  0.570001  1
  Fe  Fe158  1  0.559645  0.398421  0.589386  1
  Fe  Fe159  1  0.398804  0.699768  0.609056  1
  Fe  Fe160  1  0.366854  0.070028  0.586586  1
  Fe  Fe161  1  0.205073  0.371181  0.605939  1
  Fe  Fe162  1  0.528587  0.768703  0.566975  1
  Fe  Fe163  1  0.791185  0.311592  0.613378  1
  Fe  Fe164  1  0.113998  0.709138  0.574250  1
  Fe  Fe165  1  0.952725  0.010514  0.593879  1
  Fe  Fe166  1  0.061717  0.127735  0.599721  1
  Fe  Fe167  1  0.900435  0.429172  0.619218  1
  Fe  Fe168  1  0.223551  0.826517  0.580105  1
  Fe  Fe169  1  0.441378  0.169602  0.612852  1
  Fe  Fe170  1  0.764591  0.567091  0.573615  1
  Fe  Fe171  1  0.603348  0.868399  0.593284  1
  Fe  Fe172  1  0.096603  0.253880  0.600304  1
  Fe  Fe173  1  0.418722  0.651305  0.561070  1
  Fe  Fe174  1  0.257850  0.952677  0.580739  1
  Fe  Fe175  1  0.921041  0.380549  0.571173  1
  Fe  Fe176  1  0.760148  0.681952  0.590838  1
  Fe  Fe177  1  0.599115  0.983327  0.610446  1
  Fe  Fe178  1  0.716407  0.211972  0.587075  1
  Fe  Fe179  1  0.555442  0.513168  0.606485  1
  Fe  Fe180  1  0.877818  0.910750  0.567522  1
  Fe  Fe181  1  0.742369  0.094353  0.620332  1
  Fe  Fe182  1  0.581310  0.395281  0.639603  1
  Fe  Fe183  1  0.420565  0.696702  0.659300  1
  Fe  Fe184  1  0.931808  0.191209  0.638708  1
  Fe  Fe185  1  0.771222  0.492299  0.658256  1
  Fe  Fe186  1  0.611484  0.793856  0.677718  1
  Fe  Fe187  1  0.237040  0.001061  0.628693  1
  Fe  Fe188  1  0.075964  0.302172  0.648089  1
  Fe  Fe189  1  0.914882  0.603292  0.667705  1
  Fe  Fe190  1  0.881816  0.974022  0.645214  1
  Fe  Fe191  1  0.720554  0.275115  0.664588  1
  Fe  Fe192  1  0.044570  0.672494  0.625639  1
  Fe  Fe193  1  0.306111  0.215126  0.672322  1
  Fe  Fe194  1  0.630583  0.612871  0.632968  1
  Fe  Fe195  1  0.469742  0.914367  0.652648  1
  Fe  Fe196  1  0.576712  0.031388  0.658583  1
  Fe  Fe197  1  0.416235  0.332956  0.677933  1
  Fe  Fe198  1  0.739672  0.730326  0.638918  1
  Fe  Fe199  1  0.960641  0.073267  0.671835  1
  Fe  Fe200  1  0.280148  0.470768  0.632276  1
  Fe  Fe201  1  0.121004  0.771788  0.652086  1
  Fe  Fe202  1  0.610342  0.157949  0.659010  1
  Fe  Fe203  1  0.935981  0.555042  0.619820  1
  Fe  Fe204  1  0.774813  0.856666  0.639527  1
  Fe  Fe205  1  0.437101  0.284257  0.629955  1
  Fe  Fe206  1  0.277191  0.585274  0.649566  1
  Fe  Fe207  1  0.116908  0.887032  0.669173  1
  Fe  Fe208  1  0.232486  0.115893  0.646157  1
  Fe  Fe209  1  0.072492  0.416901  0.665248  1
  Fe  Fe210  1  0.394355  0.814607  0.626240  1
  Fe  Fe211  1  0.259131  -0.001686  0.679114  1
  Fe  Fe212  1  0.099297  0.299948  0.698584  1
  Fe  Fe213  1  0.938222  0.599515  0.718290  1
  Fe  Fe214  1  0.448457  0.095841  0.698921  1
  Fe  Fe215  1  0.287538  0.396305  0.718877  1
  Fe  Fe216  1  0.133108  0.698120  0.737591  1
  Fe  Fe217  1  0.753765  0.904767  0.688215  1
  Fe  Fe218  1  0.593642  0.206379  0.706924  1
  Fe  Fe219  1  0.433079  0.506238  0.727408  1
  Fe  Fe220  1  0.398925  0.877357  0.703980  1
  Fe  Fe221  1  0.216422  0.184054  0.723801  1
  Fe  Fe222  1  0.560776  0.575537  0.683836  1
  Fe  Fe223  1  0.820151  0.123448  0.730824  1
  Fe  Fe224  1  0.149747  0.516615  0.691664  1
  Fe  Fe225  1  0.987262  0.816839  0.711363  1
  Fe  Fe226  1  0.085463  0.934673  0.717661  1
  Fe  Fe227  1  0.930428  0.255216  0.739125  1
  Fe  Fe228  1  0.255441  0.634843  0.697847  1
  Fe  Fe229  1  0.446380  0.987323  0.728836  1
  Fe  Fe230  1  0.799667  0.374823  0.691074  1
  Fe  Fe231  1  0.637301  0.674692  0.710965  1
  Fe  Fe232  1  0.122710  0.061074  0.718153  1
  Fe  Fe233  1  0.452242  0.458728  0.678340  1
  Fe  Fe234  1  0.292370  0.759061  0.697789  1
  Fe  Fe235  1  0.953324  0.187688  0.688944  1
  Fe  Fe236  1  0.794553  0.487509  0.708981  1
  Fe  Fe237  1  0.642316  0.789460  0.728618  1
  Fe  Fe238  1  0.751866  0.019271  0.704211  1
  Fe  Fe239  1  0.589768  0.320654  0.724444  1
  Fe  Fe240  1  0.912198  0.718222  0.684612  1
  C  C241  1  0.356052  0.646619  0.272629  1
  C  C242  1  0.201947  0.949305  0.292092  1
  C  C243  1  0.040447  0.250151  0.311675  1
  C  C244  1  0.568105  0.801501  0.275974  1
  C  C245  1  0.408151  0.101699  0.295362  1
  C  C246  1  0.248481  0.403384  0.314757  1
  C  C247  1  0.900936  0.641364  0.278288  1
  C  C248  1  0.742432  0.940360  0.297499  1
  C  C249  1  0.585083  0.241187  0.316085  1
  C  C250  1  0.115627  0.794040  0.281876  1
  C  C251  1  0.954425  0.093520  0.301189  1
  C  C252  1  0.794514  0.395228  0.320497  1
  C  C253  1  0.876311  0.550816  0.331010  1
  C  C254  1  0.716659  0.852329  0.350584  1
  C  C255  1  0.555936  0.153665  0.370136  1
  C  C256  1  0.086867  0.704771  0.334570  1
  C  C257  1  0.925820  0.005905  0.354261  1
  C  C258  1  0.764676  0.306980  0.373643  1
  C  C259  1  0.422964  0.542443  0.336434  1
  C  C260  1  0.262516  0.844089  0.356299  1
  C  C261  1  0.102245  0.144974  0.375591  1
  C  C262  1  0.633025  0.696483  0.340004  1
  C  C263  1  0.472601  0.997353  0.359702  1
  C  C264  1  0.311509  0.298435  0.379017  1
  C  C265  1  0.393725  0.454705  0.389744  1
  C  C266  1  0.232741  0.756094  0.409427  1
  C  C267  1  0.071920  0.057441  0.429027  1
  C  C268  1  0.603255  0.608426  0.393348  1
  C  C269  1  0.442469  0.909795  0.413052  1
  C  C270  1  0.281172  0.211020  0.432540  1
  C  C271  1  0.940610  0.446090  0.395114  1
  C  C272  1  0.779504  0.747425  0.414730  1
  C  C273  1  0.618618  0.048844  0.434326  1
  C  C274  1  0.149791  0.599682  0.398625  1
  C  C275  1  0.988939  0.901062  0.418368  1
  C  C276  1  0.827790  0.202316  0.437825  1
  C  C277  1  0.910369  0.358617  0.448528  1
  C  C278  1  0.749146  0.659962  0.468153  1
  C  C279  1  0.588148  0.961324  0.487817  1
  C  C280  1  0.119666  0.512262  0.452112  1
  C  C281  1  0.958629  0.813592  0.471781  1
  C  C282  1  0.797422  0.114917  0.491368  1
  C  C283  1  0.457123  0.349921  0.453837  1
  C  C284  1  0.295893  0.651221  0.473469  1
  C  C285  1  0.134843  0.952601  0.493114  1
  C  C286  1  0.666335  0.503537  0.457415  1
  C  C287  1  0.505322  0.804888  0.477103  1
  C  C288  1  0.344068  0.106205  0.496656  1
  C  C289  1  0.426709  0.262539  0.507346  1
  C  C290  1  0.265456  0.563856  0.526900  1
  C  C291  1  0.104443  0.865207  0.546588  1
  C  C292  1  0.635935  0.416143  0.510889  1
  C  C293  1  0.474885  0.717523  0.530534  1
  C  C294  1  0.313655  0.018824  0.550166  1
  C  C295  1  0.973356  0.253828  0.512635  1
  C  C296  1  0.812148  0.555152  0.532222  1
  C  C297  1  0.651112  0.856483  0.551891  1
  C  C298  1  0.182630  0.407421  0.516186  1
  C  C299  1  0.021632  0.708782  0.535849  1
  C  C300  1  0.860409  0.010127  0.555474  1
  C  C301  1  0.942988  0.166429  0.566177  1
  C  C302  1  0.781839  0.467682  0.585635  1
  C  C303  1  0.620987  0.769063  0.605377  1
  C  C304  1  0.152160  0.319900  0.569677  1
  C  C305  1  0.991274  0.621320  0.589272  1
  C  C306  1  0.830168  0.922654  0.608889  1
  C  C307  1  0.489606  0.157724  0.571463  1
  C  C308  1  0.328309  0.458949  0.590951  1
  C  C309  1  0.167523  0.760318  0.610655  1
  C  C310  1  0.698858  0.311303  0.574976  1
  C  C311  1  0.538037  0.612651  0.594576  1
  C  C312  1  0.377053  0.914039  0.614258  1
  C  C313  1  0.459269  0.070309  0.624986  1
  C  C314  1  0.298177  0.371392  0.644301  1
  C  C315  1  0.137753  0.672262  0.663999  1
  C  C316  1  0.668533  0.223770  0.628411  1
  C  C317  1  0.508262  0.524655  0.647704  1
  C  C318  1  0.347814  0.826301  0.667569  1
  C  C319  1  0.006102  0.061765  0.630360  1
  C  C320  1  0.844958  0.362839  0.649742  1
  C  C321  1  0.683910  0.663974  0.669432  1
  C  C322  1  0.214842  0.215080  0.633866  1
  C  C323  1  0.054119  0.516415  0.653419  1
  C  C324  1  0.894467  0.817928  0.672993  1
  C  C325  1  0.976264  0.973516  0.683506  1
  C  C326  1  0.816353  0.275224  0.702814  1
  C  C327  1  0.655151  0.574704  0.722127  1
  C  C328  1  0.185695  0.127557  0.687917  1
  C  C329  1  0.028345  0.428385  0.706503  1
  C  C330  1  0.869842  0.727380  0.725715  1
  C  C331  1  0.522296  0.965360  0.689246  1
  C  C332  1  0.362627  0.267046  0.708640  1
  C  C333  1  0.202673  0.567244  0.728029  1
  C  C334  1  0.730331  0.118593  0.692328  1
  C  C335  1  0.568831  0.419439  0.711911  1
  C  C336  1  0.414726  0.722125  0.731374  1
