# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.08326791
_cell_length_b   6.88093041
_cell_length_c   49.65695891
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.06699268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe210 C84'
_cell_volume   5089.34539051
_cell_formula_units_Z   42
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  0.821112  0.175189  0.298457  1
  Fe  Fe2  1  0.117625  0.040422  0.276439  1
  Fe  Fe3  1  0.527705  0.310683  0.321485  1
  Fe  Fe4  1  0.561817  0.424417  0.277091  1
  Fe  Fe5  1  0.977690  0.700755  0.322450  1
  Fe  Fe6  1  0.269422  0.563817  0.299572  1
  Fe  Fe7  1  0.680502  0.953480  0.301715  1
  Fe  Fe8  1  0.975982  0.816303  0.279187  1
  Fe  Fe9  1  0.388622  0.093370  0.324475  1
  Fe  Fe10  1  0.556446  0.778552  0.273182  1
  Fe  Fe11  1  0.971730  0.054043  0.318231  1
  Fe  Fe12  1  0.261185  0.921909  0.295143  1
  Fe  Fe13  1  0.825946  0.822518  0.303542  1
  Fe  Fe14  1  0.117299  0.685690  0.281263  1
  Fe  Fe15  1  0.534410  0.958603  0.325795  1
  Fe  Fe16  1  0.925603  0.360015  0.329226  1
  Fe  Fe17  1  0.217743  0.224901  0.307399  1
  Fe  Fe18  1  0.510259  0.083426  0.284421  1
  Fe  Fe19  1  0.711021  0.407137  0.306027  1
  Fe  Fe20  1  0.003858  0.267936  0.283043  1
  Fe  Fe21  1  0.419937  0.546044  0.328375  1
  Fe  Fe22  1  0.579307  0.647945  0.315204  1
  Fe  Fe23  1  0.871412  0.514046  0.291836  1
  Fe  Fe24  1  0.161836  0.378364  0.269188  1
  Fe  Fe25  1  0.707591  0.653827  0.274712  1
  Fe  Fe26  1  0.115403  0.920984  0.319502  1
  Fe  Fe27  1  0.408742  0.779978  0.296838  1
  Fe  Fe28  1  0.666486  0.196844  0.270245  1
  Fe  Fe29  1  0.085915  0.467829  0.315627  1
  Fe  Fe30  1  0.377881  0.328353  0.293015  1
  Fe  Fe31  1  0.942116  0.587378  0.365647  1
  Fe  Fe32  1  0.234968  0.451406  0.343184  1
  Fe  Fe33  1  0.650044  0.725626  0.388028  1
  Fe  Fe34  1  0.684935  0.837653  0.344549  1
  Fe  Fe35  1  0.100170  0.115166  0.389061  1
  Fe  Fe36  1  0.392210  0.975507  0.366600  1
  Fe  Fe37  1  0.803063  0.366897  0.368211  1
  Fe  Fe38  1  0.095525  0.229521  0.345844  1
  Fe  Fe39  1  0.511050  0.506293  0.390989  1
  Fe  Fe40  1  0.678416  0.189873  0.339579  1
  Fe  Fe41  1  0.093588  0.467568  0.384433  1
  Fe  Fe42  1  0.385509  0.329443  0.362275  1
  Fe  Fe43  1  0.948837  0.235115  0.370324  1
  Fe  Fe44  1  0.241206  0.098536  0.348142  1
  Fe  Fe45  1  0.656360  0.372402  0.392621  1
  Fe  Fe46  1  0.047965  0.774622  0.395806  1
  Fe  Fe47  1  0.340706  0.638786  0.373432  1
  Fe  Fe48  1  0.632933  0.496787  0.351339  1
  Fe  Fe49  1  0.834999  0.820344  0.372394  1
  Fe  Fe50  1  0.128086  0.683042  0.349997  1
  Fe  Fe51  1  0.542415  0.958612  0.394749  1
  Fe  Fe52  1  0.701705  0.065857  0.381231  1
  Fe  Fe53  1  0.994207  0.926383  0.358943  1
  Fe  Fe54  1  0.286592  0.790372  0.336453  1
  Fe  Fe55  1  0.823314  0.058311  0.341678  1
  Fe  Fe56  1  0.239467  0.334606  0.386190  1
  Fe  Fe57  1  0.531341  0.195821  0.364001  1
  Fe  Fe58  1  0.792449  0.605222  0.337748  1
  Fe  Fe59  1  0.207301  0.881445  0.382324  1
  Fe  Fe60  1  0.498706  0.744254  0.359880  1
  Fe  Fe61  1  0.064588  0.002044  0.432504  1
  Fe  Fe62  1  0.357154  0.863655  0.410297  1
  Fe  Fe63  1  0.772143  0.140154  0.454806  1
  Fe  Fe64  1  0.807422  0.252719  0.411247  1
  Fe  Fe65  1  0.222211  0.528851  0.455793  1
  Fe  Fe66  1  0.514737  0.390399  0.433599  1
  Fe  Fe67  1  0.925607  0.781975  0.435261  1
  Fe  Fe68  1  0.218159  0.643971  0.412956  1
  Fe  Fe69  1  0.633137  0.920132  0.457590  1
  Fe  Fe70  1  0.800737  0.605200  0.406635  1
  Fe  Fe71  1  0.215635  0.881661  0.451210  1
  Fe  Fe72  1  0.508310  0.743610  0.428944  1
  Fe  Fe73  1  0.071199  0.649203  0.437143  1
  Fe  Fe74  1  0.363861  0.511042  0.414865  1
  Fe  Fe75  1  0.778616  0.787228  0.459432  1
  Fe  Fe76  1  0.170308  0.189115  0.462575  1
  Fe  Fe77  1  0.462855  0.050738  0.440359  1
  Fe  Fe78  1  0.755517  0.912503  0.418019  1
  Fe  Fe79  1  0.957393  0.234865  0.439205  1
  Fe  Fe80  1  0.249862  0.096772  0.416992  1
  Fe  Fe81  1  0.664822  0.372905  0.461495  1
  Fe  Fe82  1  0.824010  0.480043  0.448048  1
  Fe  Fe83  1  0.116603  0.341828  0.425736  1
  Fe  Fe84  1  0.409099  0.203360  0.403506  1
  Fe  Fe85  1  0.946201  0.472574  0.408498  1
  Fe  Fe86  1  0.361195  0.748716  0.453055  1
  Fe  Fe87  1  0.653829  0.610584  0.430789  1
  Fe  Fe88  1  0.914669  0.019687  0.404563  1
  Fe  Fe89  1  0.329461  0.295994  0.449115  1
  Fe  Fe90  1  0.622105  0.157828  0.426874  1
  Fe  Fe91  1  0.186921  0.416397  0.499338  1
  Fe  Fe92  1  0.479536  0.278220  0.477079  1
  Fe  Fe93  1  0.894362  0.554465  0.521631  1
  Fe  Fe94  1  0.929642  0.666914  0.478089  1
  Fe  Fe95  1  0.344469  0.943159  0.522641  1
  Fe  Fe96  1  0.637083  0.804982  0.500381  1
  Fe  Fe97  1  0.047904  0.196381  0.502108  1
  Fe  Fe98  1  0.340524  0.058355  0.479865  1
  Fe  Fe99  1  0.755351  0.334524  0.524398  1
  Fe  Fe100  1  0.923095  0.019773  0.473457  1
  Fe  Fe101  1  0.337951  0.296098  0.518008  1
  Fe  Fe102  1  0.630552  0.157898  0.495763  1
  Fe  Fe103  1  0.193453  0.063480  0.503957  1
  Fe  Fe104  1  0.486053  0.925281  0.481711  1
  Fe  Fe105  1  0.900909  0.201606  0.526262  1
  Fe  Fe106  1  0.292592  0.603290  0.529422  1
  Fe  Fe107  1  0.585179  0.465144  0.507147  1
  Fe  Fe108  1  0.877749  0.326990  0.484857  1
  Fe  Fe109  1  0.079638  0.649196  0.506032  1
  Fe  Fe110  1  0.372190  0.511077  0.483783  1
  Fe  Fe111  1  0.787085  0.787306  0.528317  1
  Fe  Fe112  1  0.946255  0.894388  0.514862  1
  Fe  Fe113  1  0.238826  0.756235  0.492573  1
  Fe  Fe114  1  0.531412  0.618088  0.470297  1
  Fe  Fe115  1  0.068653  0.886854  0.475322  1
  Fe  Fe116  1  0.483480  0.163024  0.519854  1
  Fe  Fe117  1  0.776100  0.024997  0.497612  1
  Fe  Fe118  1  0.036919  0.434072  0.471402  1
  Fe  Fe119  1  0.451815  0.710301  0.515937  1
  Fe  Fe120  1  0.744367  0.572182  0.493687  1
  Fe  Fe121  1  0.309268  0.830979  0.566121  1
  Fe  Fe122  1  0.601793  0.692528  0.543926  1
  Fe  Fe123  1  0.016583  0.968659  0.588472  1
  Fe  Fe124  1  0.051861  0.081225  0.544914  1
  Fe  Fe125  1  0.466851  0.357723  0.589423  1
  Fe  Fe126  1  0.759416  0.219335  0.567216  1
  Fe  Fe127  1  0.170175  0.610795  0.568930  1
  Fe  Fe128  1  0.462810  0.472662  0.546664  1
  Fe  Fe129  1  0.877803  0.748805  0.591221  1
  Fe  Fe130  1  0.045388  0.434150  0.540288  1
  Fe  Fe131  1  0.460143  0.710336  0.584855  1
  Fe  Fe132  1  0.752806  0.572175  0.562577  1
  Fe  Fe133  1  0.315694  0.477768  0.570776  1
  Fe  Fe134  1  0.608370  0.339718  0.548510  1
  Fe  Fe135  1  0.023267  0.616178  0.593084  1
  Fe  Fe136  1  0.414905  0.018019  0.596214  1
  Fe  Fe137  1  0.707401  0.879551  0.573984  1
  Fe  Fe138  1  0.999994  0.741335  0.551672  1
  Fe  Fe139  1  0.201899  0.063550  0.572846  1
  Fe  Fe140  1  0.494544  0.925385  0.550605  1
  Fe  Fe141  1  0.909336  0.201691  0.595157  1
  Fe  Fe142  1  0.068487  0.308876  0.581701  1
  Fe  Fe143  1  0.361149  0.170640  0.559361  1
  Fe  Fe144  1  0.653697  0.032263  0.537145  1
  Fe  Fe145  1  0.190868  0.301247  0.542130  1
  Fe  Fe146  1  0.605845  0.577408  0.586763  1
  Fe  Fe147  1  0.898398  0.439404  0.564458  1
  Fe  Fe148  1  0.159183  0.848474  0.538224  1
  Fe  Fe149  1  0.574142  0.124607  0.582727  1
  Fe  Fe150  1  0.866611  0.986514  0.560515  1
  Fe  Fe151  1  0.431795  0.245872  0.633120  1
  Fe  Fe152  1  0.723834  0.106213  0.610659  1
  Fe  Fe153  1  0.139070  0.383726  0.655170  1
  Fe  Fe154  1  0.173960  0.495752  0.611691  1
  Fe  Fe155  1  0.589037  0.769972  0.656535  1
  Fe  Fe156  1  0.881888  0.634000  0.634072  1
  Fe  Fe157  1  0.292663  0.025557  0.635719  1
  Fe  Fe158  1  0.584538  0.886773  0.613530  1
  Fe  Fe159  1  0.000690  0.163068  0.658041  1
  Fe  Fe160  1  0.167645  0.848976  0.607099  1
  Fe  Fe161  1  0.582799  0.122842  0.651577  1
  Fe  Fe162  1  0.875167  0.986263  0.629395  1
  Fe  Fe163  1  0.438495  0.891935  0.637445  1
  Fe  Fe164  1  0.730416  0.753810  0.615287  1
  Fe  Fe165  1  0.145588  0.031506  0.660141  1
  Fe  Fe166  1  0.537412  0.431007  0.663267  1
  Fe  Fe167  1  0.829798  0.294996  0.640777  1
  Fe  Fe168  1  0.122299  0.155522  0.618488  1
  Fe  Fe169  1  0.325299  0.477124  0.639839  1
  Fe  Fe170  1  0.616703  0.339933  0.617395  1
  Fe  Fe171  1  0.031555  0.616157  0.661972  1
  Fe  Fe172  1  0.191072  0.724591  0.648380  1
  Fe  Fe173  1  0.483299  0.582593  0.626287  1
  Fe  Fe174  1  0.776040  0.446757  0.603913  1
  Fe  Fe175  1  0.312955  0.715086  0.608731  1
  Fe  Fe176  1  0.728479  0.991857  0.653876  1
  Fe  Fe177  1  0.020942  0.854481  0.631509  1
  Fe  Fe178  1  0.281590  0.262766  0.604971  1
  Fe  Fe179  1  0.695918  0.538337  0.649722  1
  Fe  Fe180  1  0.989005  0.401035  0.627325  1
  Fe  Fe181  1  0.554582  0.657561  0.700147  1
  Fe  Fe182  1  0.846314  0.520623  0.677269  1
  Fe  Fe183  1  0.262187  0.796961  0.722629  1
  Fe  Fe184  1  0.296300  0.910695  0.678234  1
  Fe  Fe185  1  0.706380  0.180956  0.723280  1
  Fe  Fe186  1  0.002893  0.046189  0.701262  1
  Fe  Fe187  1  0.415263  0.441401  0.702882  1
  Fe  Fe188  1  0.708601  0.300395  0.680217  1
  Fe  Fe189  1  0.116413  0.567552  0.725007  1
  Fe  Fe190  1  0.289594  0.262775  0.673924  1
  Fe  Fe191  1  0.706705  0.535688  0.718456  1
  Fe  Fe192  1  0.998058  0.398861  0.696177  1
  Fe  Fe193  1  0.562820  0.299469  0.704576  1
  Fe  Fe194  1  0.852275  0.167336  0.681488  1
  Fe  Fe195  1  0.267558  0.442826  0.726537  1
  Fe  Fe196  1  0.662168  0.843015  0.730532  1
  Fe  Fe197  1  0.952592  0.707332  0.707884  1
  Fe  Fe198  1  0.244697  0.573434  0.684516  1
  Fe  Fe199  1  0.446123  0.893026  0.706704  1
  Fe  Fe200  1  0.738089  0.753549  0.684093  1
  Fe  Fe201  1  0.157519  0.024534  0.729475  1
  Fe  Fe202  1  0.313745  0.137952  0.715298  1
  Fe  Fe203  1  0.606261  0.996477  0.692320  1
  Fe  Fe204  1  0.898402  0.861363  0.670494  1
  Fe  Fe205  1  0.435382  0.128009  0.675245  1
  Fe  Fe206  1  0.848022  0.405075  0.720532  1
  Fe  Fe207  1  0.143503  0.267899  0.698005  1
  Fe  Fe208  1  0.404068  0.675335  0.671344  1
  Fe  Fe209  1  0.820146  0.953442  0.716676  1
  Fe  Fe210  1  0.112983  0.814241  0.693692  1
  C  C211  1  0.796616  0.319428  0.330047  1
  C  C212  1  0.088775  0.183784  0.307633  1
  C  C213  1  0.381451  0.042473  0.286428  1
  C  C214  1  0.765524  0.425743  0.270927  1
  C  C215  1  0.181874  0.706920  0.314786  1
  C  C216  1  0.475076  0.564623  0.293359  1
  C  C217  1  0.615354  0.170256  0.305787  1
  C  C218  1  0.909520  0.029721  0.284340  1
  C  C219  1  0.324019  0.311277  0.328234  1
  C  C220  1  0.708124  0.690792  0.313094  1
  C  C221  1  0.000379  0.551314  0.291214  1
  C  C222  1  0.290653  0.407601  0.268853  1
  C  C223  1  0.919006  0.734255  0.397112  1
  C  C224  1  0.211753  0.596584  0.374796  1
  C  C225  1  0.504008  0.457804  0.352873  1
  C  C226  1  0.889392  0.843360  0.337268  1
  C  C227  1  0.304471  0.117746  0.381893  1
  C  C228  1  0.597016  0.980166  0.359651  1
  C  C229  1  0.737764  0.582921  0.372839  1
  C  C230  1  0.030658  0.446128  0.350636  1
  C  C231  1  0.445326  0.722058  0.395148  1
  C  C232  1  0.830641  0.105509  0.379828  1
  C  C233  1  0.123209  0.967718  0.357656  1
  C  C234  1  0.415523  0.830930  0.334923  1
  C  C235  1  0.041362  0.148966  0.463952  1
  C  C236  1  0.333907  0.010865  0.441713  1
  C  C237  1  0.626582  0.872781  0.419433  1
  C  C238  1  0.011937  0.257048  0.404097  1
  C  C239  1  0.426753  0.532867  0.448678  1
  C  C240  1  0.719435  0.394826  0.426396  1
  C  C241  1  0.860086  0.997862  0.439667  1
  C  C242  1  0.152643  0.859820  0.417417  1
  C  C243  1  0.567524  0.135884  0.461976  1
  C  C244  1  0.952949  0.519944  0.446653  1
  C  C245  1  0.245556  0.381973  0.424353  1
  C  C246  1  0.538043  0.243596  0.402146  1
  C  C247  1  0.163643  0.563385  0.530775  1
  C  C248  1  0.456234  0.425240  0.508510  1
  C  C249  1  0.748807  0.287079  0.486243  1
  C  C250  1  0.134224  0.671033  0.470930  1
  C  C251  1  0.549088  0.947233  0.515497  1
  C  C252  1  0.841668  0.809181  0.493214  1
  C  C253  1  0.982336  0.412198  0.506505  1
  C  C254  1  0.274916  0.274146  0.484222  1
  C  C255  1  0.689780  0.550346  0.528790  1
  C  C256  1  0.075197  0.934299  0.513477  1
  C  C257  1  0.367771  0.796138  0.491210  1
  C  C258  1  0.660361  0.657994  0.468945  1
  C  C259  1  0.285962  0.977782  0.597573  1
  C  C260  1  0.578449  0.839405  0.575367  1
  C  C261  1  0.871055  0.701434  0.553066  1
  C  C262  1  0.256481  0.085494  0.537743  1
  C  C263  1  0.671361  0.361559  0.582303  1
  C  C264  1  0.963918  0.223516  0.560053  1
  C  C265  1  0.104570  0.826552  0.573323  1
  C  C266  1  0.397251  0.688511  0.551042  1
  C  C267  1  0.812067  0.964331  0.595622  1
  C  C268  1  0.197423  0.348597  0.580286  1
  C  C269  1  0.490097  0.210513  0.558006  1
  C  C270  1  0.782642  0.072412  0.535768  1
  C  C271  1  0.408482  0.390448  0.664797  1
  C  C272  1  0.700795  0.253660  0.642063  1
  C  C273  1  0.993363  0.115869  0.619891  1
  C  C274  1  0.378679  0.499320  0.604571  1
  C  C275  1  0.793346  0.775251  0.649084  1
  C  C276  1  0.086240  0.638457  0.626880  1
  C  C277  1  0.226988  0.241212  0.640069  1
  C  C278  1  0.519533  0.103632  0.617827  1
  C  C279  1  0.934612  0.378018  0.662452  1
  C  C280  1  0.319996  0.763574  0.646847  1
  C  C281  1  0.612252  0.624795  0.624923  1
  C  C282  1  0.904998  0.487124  0.602607  1
  C  C283  1  0.533351  0.813777  0.730867  1
  C  C284  1  0.823625  0.670064  0.708506  1
  C  C285  1  0.115880  0.530587  0.686626  1
  C  C286  1  0.499985  0.910101  0.671486  1
  C  C287  1  0.914485  0.191658  0.715379  1
  C  C288  1  0.208650  0.051123  0.693933  1
  C  C289  1  0.348929  0.656756  0.706360  1
  C  C290  1  0.642131  0.514458  0.684934  1
  C  C291  1  0.058481  0.795636  0.728792  1
  C  C292  1  0.442553  0.178905  0.713292  1
  C  C293  1  0.735229  0.037595  0.692086  1
  C  C294  1  0.027389  0.901950  0.669672  1
