# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75875264
_cell_length_b   16.34533783
_cell_length_c   47.00060815
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.89135758
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe180 C72'
_cell_volume   4417.59877266
_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  0.393787  0.469708  0.273210  1
  Fe  Fe2  1  0.718740  0.082402  0.298935  1
  Fe  Fe3  1  0.023561  0.692958  0.325439  1
  Fe  Fe4  1  0.763668  0.591958  0.321495  1
  Fe  Fe5  1  0.072214  0.202154  0.346201  1
  Fe  Fe6  1  0.451820  0.978395  0.291954  1
  Fe  Fe7  1  0.452636  0.510822  0.322733  1
  Fe  Fe8  1  0.761801  0.121470  0.348247  1
  Fe  Fe9  1  0.144843  0.899175  0.297242  1
  Fe  Fe10  1  0.408306  0.642907  0.295481  1
  Fe  Fe11  1  0.723783  0.253173  0.321897  1
  Fe  Fe12  1  0.021878  0.865312  0.346799  1
  Fe  Fe13  1  0.759849  0.420603  0.298931  1
  Fe  Fe14  1  0.071647  0.030600  0.324544  1
  Fe  Fe15  1  0.450157  0.809260  0.273080  1
  Fe  Fe16  1  0.429191  0.354826  0.304582  1
  Fe  Fe17  1  0.731168  0.966122  0.330024  1
  Fe  Fe18  1  0.114917  0.745825  0.278797  1
  Fe  Fe19  1  0.086018  0.582802  0.279716  1
  Fe  Fe20  1  0.413151  0.188818  0.304581  1
  Fe  Fe21  1  0.706394  0.802667  0.330633  1
  Fe  Fe22  1  0.742712  0.709154  0.289193  1
  Fe  Fe23  1  0.046722  0.320950  0.314507  1
  Fe  Fe24  1  0.358094  0.929378  0.340809  1
  Fe  Fe25  1  0.706840  0.553751  0.272607  1
  Fe  Fe26  1  0.034289  0.160446  0.297280  1
  Fe  Fe27  1  0.332559  0.774288  0.322620  1
  Fe  Fe28  1  0.075924  0.483083  0.314910  1
  Fe  Fe29  1  0.385987  0.093269  0.340837  1
  Fe  Fe30  1  0.769533  0.871575  0.289521  1
  Fe  Fe31  1  0.330508  0.303478  0.350215  1
  Fe  Fe32  1  0.638345  0.915239  0.376601  1
  Fe  Fe33  1  0.944960  0.525690  0.401765  1
  Fe  Fe34  1  0.684207  0.424365  0.396993  1
  Fe  Fe35  1  0.991505  0.035353  0.422687  1
  Fe  Fe36  1  0.376413  0.813286  0.371211  1
  Fe  Fe37  1  0.374908  0.343560  0.399196  1
  Fe  Fe38  1  0.681374  0.954674  0.425095  1
  Fe  Fe39  1  0.066003  0.732861  0.373996  1
  Fe  Fe40  1  0.330029  0.475228  0.372148  1
  Fe  Fe41  1  0.637794  0.086505  0.397897  1
  Fe  Fe42  1  0.944189  0.697058  0.423255  1
  Fe  Fe43  1  0.686418  0.253482  0.375427  1
  Fe  Fe44  1  0.992006  0.863980  0.401201  1
  Fe  Fe45  1  0.378469  0.642667  0.349782  1
  Fe  Fe46  1  0.353946  0.187084  0.381541  1
  Fe  Fe47  1  0.658569  0.798143  0.407160  1
  Fe  Fe48  1  0.046998  0.575896  0.356062  1
  Fe  Fe49  1  0.017035  0.412375  0.356114  1
  Fe  Fe50  1  0.325084  0.023533  0.381804  1
  Fe  Fe51  1  0.630592  0.634581  0.407199  1
  Fe  Fe52  1  0.661555  0.541697  0.366118  1
  Fe  Fe53  1  0.970339  0.152248  0.391725  1
  Fe  Fe54  1  0.277669  0.763053  0.417344  1
  Fe  Fe55  1  0.640697  0.384207  0.348399  1
  Fe  Fe56  1  0.948192  0.995410  0.374035  1
  Fe  Fe57  1  0.255006  0.606688  0.399486  1
  Fe  Fe58  1  -0.001631  0.315566  0.391493  1
  Fe  Fe59  1  0.305758  0.926802  0.417358  1
  Fe  Fe60  1  0.690406  0.704917  0.365979  1
  Fe  Fe61  1  0.252592  0.137103  0.427463  1
  Fe  Fe62  1  0.559632  0.747834  0.453124  1
  Fe  Fe63  1  0.866813  0.358942  0.478683  1
  Fe  Fe64  1  0.606030  0.257387  0.473709  1
  Fe  Fe65  1  0.912728  0.868241  0.499343  1
  Fe  Fe66  1  0.298430  0.646239  0.448098  1
  Fe  Fe67  1  0.295963  0.176632  0.476052  1
  Fe  Fe68  1  0.602660  0.787594  0.501741  1
  Fe  Fe69  1  0.988412  0.565518  0.450452  1
  Fe  Fe70  1  0.252064  0.307999  0.448853  1
  Fe  Fe71  1  0.558955  0.919267  0.474557  1
  Fe  Fe72  1  0.865887  0.530142  0.500066  1
  Fe  Fe73  1  0.606878  0.086189  0.452326  1
  Fe  Fe74  1  0.913534  0.696878  0.477882  1
  Fe  Fe75  1  0.299040  0.474922  0.426719  1
  Fe  Fe76  1  0.273742  0.020069  0.458384  1
  Fe  Fe77  1  0.580794  0.631027  0.483886  1
  Fe  Fe78  1  0.966788  0.409048  0.432731  1
  Fe  Fe79  1  0.939075  0.245684  0.432788  1
  Fe  Fe80  1  0.245520  0.856428  0.458432  1
  Fe  Fe81  1  0.552748  0.467557  0.483996  1
  Fe  Fe82  1  0.584470  0.374065  0.442868  1
  Fe  Fe83  1  0.891975  0.985301  0.468512  1
  Fe  Fe84  1  0.198687  0.596031  0.494070  1
  Fe  Fe85  1  0.562781  0.217739  0.425116  1
  Fe  Fe86  1  0.869581  0.828572  0.450713  1
  Fe  Fe87  1  0.176722  0.439627  0.476306  1
  Fe  Fe88  1  0.919960  0.148775  0.468427  1
  Fe  Fe89  1  0.226861  0.759646  0.493984  1
  Fe  Fe90  1  0.612416  0.537592  0.442790  1
  Fe  Fe91  1  0.174245  0.970013  0.504236  1
  Fe  Fe92  1  0.480942  0.580867  0.529871  1
  Fe  Fe93  1  0.788542  0.192015  0.555481  1
  Fe  Fe94  1  0.527341  0.090419  0.550455  1
  Fe  Fe95  1  0.834380  0.701150  0.576117  1
  Fe  Fe96  1  0.220159  0.479312  0.524896  1
  Fe  Fe97  1  0.217392  0.009682  0.552866  1
  Fe  Fe98  1  0.524191  0.620515  0.578464  1
  Fe  Fe99  1  0.910250  0.398627  0.527274  1
  Fe  Fe100  1  0.173439  0.141376  0.525697  1
  Fe  Fe101  1  0.480094  0.752064  0.551254  1
  Fe  Fe102  1  0.787932  0.363331  0.576860  1
  Fe  Fe103  1  0.528017  0.918987  0.529022  1
  Fe  Fe104  1  0.834908  0.530254  0.554726  1
  Fe  Fe105  1  0.221085  0.308112  0.503514  1
  Fe  Fe106  1  0.194998  0.852953  0.535068  1
  Fe  Fe107  1  0.502502  0.464188  0.560711  1
  Fe  Fe108  1  0.888285  0.242222  0.509509  1
  Fe  Fe109  1  0.860111  0.078607  0.509595  1
  Fe  Fe110  1  0.167012  0.689479  0.535153  1
  Fe  Fe111  1  0.474556  0.300661  0.560790  1
  Fe  Fe112  1  0.506179  0.207227  0.519693  1
  Fe  Fe113  1  0.813230  0.818185  0.545195  1
  Fe  Fe114  1  0.120185  0.429206  0.570849  1
  Fe  Fe115  1  0.484312  0.050659  0.501839  1
  Fe  Fe116  1  0.791009  0.661622  0.527527  1
  Fe  Fe117  1  0.098560  0.272735  0.553127  1
  Fe  Fe118  1  0.841452  0.981825  0.545147  1
  Fe  Fe119  1  0.147897  0.592569  0.570792  1
  Fe  Fe120  1  0.534225  0.370697  0.519583  1
  Fe  Fe121  1  0.095467  0.802900  0.580892  1
  Fe  Fe122  1  0.402765  0.413889  0.606587  1
  Fe  Fe123  1  0.710559  0.024968  0.632369  1
  Fe  Fe124  1  0.448627  0.923015  0.626978  1
  Fe  Fe125  1  0.756464  0.534775  0.653364  1
  Fe  Fe126  1  0.142013  0.312564  0.601814  1
  Fe  Fe127  1  0.138780  0.842843  0.629545  1
  Fe  Fe128  1  0.446275  0.454046  0.655180  1
  Fe  Fe129  1  0.831966  0.231565  0.604093  1
  Fe  Fe130  1  0.094967  0.974274  0.602379  1
  Fe  Fe131  1  0.400554  0.584772  0.628152  1
  Fe  Fe132  1  0.708503  0.195586  0.653798  1
  Fe  Fe133  1  0.449179  0.751748  0.605683  1
  Fe  Fe134  1  0.756943  0.363026  0.631431  1
  Fe  Fe135  1  0.142783  0.141196  0.580324  1
  Fe  Fe136  1  0.116633  0.686005  0.611854  1
  Fe  Fe137  1  0.425417  0.296557  0.637461  1
  Fe  Fe138  1  0.809303  0.075200  0.586236  1
  Fe  Fe139  1  0.781215  0.911452  0.586222  1
  Fe  Fe140  1  0.088603  0.522688  0.612087  1
  Fe  Fe141  1  0.396566  0.133337  0.637600  1
  Fe  Fe142  1  0.428403  0.040110  0.596419  1
  Fe  Fe143  1  0.733026  0.651170  0.622039  1
  Fe  Fe144  1  0.039975  0.262357  0.647518  1
  Fe  Fe145  1  0.405598  0.883580  0.578484  1
  Fe  Fe146  1  0.712065  0.494693  0.604383  1
  Fe  Fe147  1  0.020970  0.105393  0.629583  1
  Fe  Fe148  1  0.761889  0.814721  0.621776  1
  Fe  Fe149  1  0.069938  0.425878  0.647466  1
  Fe  Fe150  1  0.456379  0.203673  0.596381  1
  Fe  Fe151  1  0.014758  0.636099  0.657379  1
  Fe  Fe152  1  0.323305  0.246296  0.682084  1
  Fe  Fe153  1  0.635152  0.859859  0.711625  1
  Fe  Fe154  1  0.368232  0.755852  0.704644  1
  Fe  Fe155  1  0.693186  0.368545  0.730369  1
  Fe  Fe156  1  0.063412  0.145295  0.678141  1
  Fe  Fe157  1  0.052684  0.677808  0.706300  1
  Fe  Fe158  1  0.380132  0.284503  0.730972  1
  Fe  Fe159  1  0.754415  0.063966  0.680959  1
  Fe  Fe160  1  0.015326  0.807653  0.679036  1
  Fe  Fe161  1  0.327122  0.417650  0.704649  1
  Fe  Fe162  1  0.636816  0.028994  0.730499  1
  Fe  Fe163  1  0.363190  0.585081  0.681683  1
  Fe  Fe164  1  0.678665  0.195346  0.708099  1
  Fe  Fe165  1  0.065094  0.972942  0.656781  1
  Fe  Fe166  1  0.040250  0.517304  0.689072  1
  Fe  Fe167  1  0.344261  0.129100  0.714387  1
  Fe  Fe168  1  0.728879  0.908875  0.662770  1
  Fe  Fe169  1  0.700985  0.744984  0.662743  1
  Fe  Fe170  1  0.011049  0.355171  0.688669  1
  Fe  Fe171  1  0.317441  0.966679  0.714059  1
  Fe  Fe172  1  0.355805  0.872132  0.673556  1
  Fe  Fe173  1  0.657781  0.483427  0.698997  1
  Fe  Fe174  1  0.972054  0.092429  0.724783  1
  Fe  Fe175  1  0.325171  0.716784  0.655333  1
  Fe  Fe176  1  0.634338  0.327432  0.680847  1
  Fe  Fe177  1  0.942129  0.939078  0.706338  1
  Fe  Fe178  1  0.673822  0.649435  0.698999  1
  Fe  Fe179  1  0.000954  0.255452  0.723863  1
  Fe  Fe180  1  0.380576  0.035587  0.672946  1
  C  C181  1  0.312477  0.415092  0.337144  1
  C  C182  1  0.711448  0.194563  0.286532  1
  C  C183  1  0.003558  0.804178  0.312023  1
  C  C184  1  0.968689  0.475889  0.274558  1
  C  C185  1  0.293246  0.081813  0.300745  1
  C  C186  1  0.591692  0.695437  0.325236  1
  C  C187  1  0.194315  0.589938  0.319819  1
  C  C188  1  0.503117  0.200449  0.345377  1
  C  C189  1  0.887291  0.978541  0.294267  1
  C  C190  1  0.781348  0.479905  0.334056  1
  C  C191  1  0.176682  0.256566  0.283610  1
  C  C192  1  0.471530  0.869913  0.307921  1
  C  C193  1  0.234499  0.248118  0.413793  1
  C  C194  1  0.620920  0.026222  0.362920  1
  C  C195  1  0.926273  0.636875  0.388261  1
  C  C196  1  0.900294  0.305439  0.350742  1
  C  C197  1  0.207217  0.916587  0.376897  1
  C  C198  1  0.513306  0.527539  0.402290  1
  C  C199  1  0.115959  0.422491  0.396570  1
  C  C200  1  0.423133  0.033835  0.422259  1
  C  C201  1  0.807626  0.811922  0.371010  1
  C  C202  1  0.703080  0.313218  0.410526  1
  C  C203  1  0.089372  0.090812  0.359536  1
  C  C204  1  0.394708  0.702303  0.384902  1
  C  C205  1  0.155949  0.081171  0.490707  1
  C  C206  1  0.541530  0.858976  0.439585  1
  C  C207  1  0.848415  0.470000  0.465061  1
  C  C208  1  0.821373  0.138704  0.427894  1
  C  C209  1  0.127970  0.749450  0.453462  1
  C  C210  1  0.435290  0.360566  0.479027  1
  C  C211  1  0.037540  0.255760  0.473358  1
  C  C212  1  0.344194  0.866670  0.498926  1
  C  C213  1  0.729884  0.644595  0.447725  1
  C  C214  1  0.624165  0.146331  0.487331  1
  C  C215  1  0.009715  0.924171  0.436192  1
  C  C216  1  0.316647  0.535162  0.461701  1
  C  C217  1  0.077257  0.914083  0.567388  1
  C  C218  1  0.462808  0.691923  0.516248  1
  C  C219  1  0.770325  0.303092  0.541879  1
  C  C220  1  0.742778  0.971584  0.504653  1
  C  C221  1  0.049432  0.582493  0.530221  1
  C  C222  1  0.357088  0.193659  0.555854  1
  C  C223  1  0.959002  0.088804  0.550118  1
  C  C224  1  0.265600  0.699550  0.575686  1
  C  C225  1  0.651683  0.477688  0.524553  1
  C  C226  1  0.545442  0.979278  0.563994  1
  C  C227  1  0.931024  0.757082  0.512872  1
  C  C228  1  0.238557  0.368253  0.538519  1
  C  C229  1  0.997601  0.747442  0.644043  1
  C  C230  1  0.383893  0.525035  0.593054  1
  C  C231  1  0.692264  0.135950  0.618677  1
  C  C232  1  0.663839  0.804419  0.581320  1
  C  C233  1  0.971013  0.415762  0.607009  1
  C  C234  1  0.279347  0.026332  0.632570  1
  C  C235  1  0.879755  0.921666  0.626683  1
  C  C236  1  0.186679  0.532814  0.652837  1
  C  C237  1  0.573666  0.310715  0.601290  1
  C  C238  1  0.466052  0.812032  0.640659  1
  C  C239  1  0.852474  0.590136  0.589786  1
  C  C240  1  0.160699  0.201378  0.615318  1
  C  C241  1  0.910291  0.581688  0.719970  1
  C  C242  1  0.305623  0.358349  0.669524  1
  C  C243  1  0.615443  0.968341  0.695659  1
  C  C244  1  0.583855  0.637804  0.658202  1
  C  C245  1  0.892658  0.248316  0.683761  1
  C  C246  1  0.199681  0.859712  0.709313  1
  C  C247  1  0.793727  0.756441  0.702834  1
  C  C248  1  0.118282  0.362364  0.729021  1
  C  C249  1  0.495282  0.142816  0.678343  1
  C  C250  1  0.375524  0.643690  0.717047  1
  C  C251  1  0.774496  0.423162  0.666435  1
  C  C252  1  0.083413  0.034075  0.691557  1
