# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74518390
_cell_length_b   14.07059978
_cell_length_c   46.17690478
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.62596573
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe150 C60'
_cell_volume   3731.78374367
_cell_formula_units_Z   30
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  0.031205  0.998249  0.301542  1
  Fe  Fe2  1  0.299216  0.584273  0.362765  1
  Fe  Fe3  1  0.668139  0.291002  0.332468  1
  Fe  Fe4  1  0.399206  0.173390  0.337877  1
  Fe  Fe5  1  0.756259  0.877199  0.304543  1
  Fe  Fe6  1  0.132509  0.588253  0.275538  1
  Fe  Fe7  1  0.079945  0.084107  0.346634  1
  Fe  Fe8  1  0.443453  0.790970  0.316160  1
  Fe  Fe9  1  0.820282  0.494267  0.285719  1
  Fe  Fe10  1  0.055910  0.209597  0.308725  1
  Fe  Fe11  1  0.389591  0.931268  0.277121  1
  Fe  Fe12  1  0.682667  0.501120  0.338121  1
  Fe  Fe13  1  0.380506  0.962493  0.331496  1
  Fe  Fe14  1  0.744049  0.669620  0.300745  1
  Fe  Fe15  1  0.016662  0.255759  0.361081  1
  Fe  Fe16  1  0.035795  0.893944  0.342843  1
  Fe  Fe17  1  0.407022  0.602201  0.312532  1
  Fe  Fe18  1  0.790042  0.313070  0.282222  1
  Fe  Fe19  1  0.743317  0.121612  0.297009  1
  Fe  Fe20  1  0.994159  0.710307  0.357932  1
  Fe  Fe21  1  0.361818  0.417985  0.327979  1
  Fe  Fe22  1  0.387167  0.279224  0.295089  1
  Fe  Fe23  1  0.655649  0.862307  0.356489  1
  Fe  Fe24  1  0.020273  0.571103  0.326151  1
  Fe  Fe25  1  0.355605  0.089137  0.293683  1
  Fe  Fe26  1  0.618572  0.673124  0.352684  1
  Fe  Fe27  1  0.987600  0.380381  0.322277  1
  Fe  Fe28  1  0.700170  0.046424  0.341529  1
  Fe  Fe29  1  0.065749  0.754131  0.310970  1
  Fe  Fe30  1  0.429427  0.457481  0.280412  1
  Fe  Fe31  1  0.932781  0.877239  0.393001  1
  Fe  Fe32  1  0.198426  0.462417  0.453316  1
  Fe  Fe33  1  0.565344  0.169634  0.422935  1
  Fe  Fe34  1  0.294621  0.050835  0.427683  1
  Fe  Fe35  1  0.661214  0.757395  0.397002  1
  Fe  Fe36  1  0.028152  0.465181  0.366712  1
  Fe  Fe37  1  0.977109  0.962345  0.437158  1
  Fe  Fe38  1  0.343239  0.669648  0.406884  1
  Fe  Fe39  1  0.711073  0.376953  0.376606  1
  Fe  Fe40  1  0.947517  0.087306  0.398519  1
  Fe  Fe41  1  0.313588  0.794641  0.368183  1
  Fe  Fe42  1  0.580062  0.379469  0.428555  1
  Fe  Fe43  1  0.280216  0.840457  0.421939  1
  Fe  Fe44  1  0.646741  0.547561  0.391672  1
  Fe  Fe45  1  0.913173  0.133203  0.452140  1
  Fe  Fe46  1  0.938486  0.772133  0.433606  1
  Fe  Fe47  1  0.305902  0.479322  0.403449  1
  Fe  Fe48  1  0.676820  0.186369  0.373330  1
  Fe  Fe49  1  0.630073  0.002342  0.388533  1
  Fe  Fe50  1  0.894609  0.587870  0.448713  1
  Fe  Fe51  1  0.262203  0.295347  0.418396  1
  Fe  Fe52  1  0.287215  0.155973  0.386603  1
  Fe  Fe53  1  0.553997  0.740875  0.447115  1
  Fe  Fe54  1  0.920882  0.448099  0.416835  1
  Fe  Fe55  1  0.250033  0.964935  0.383420  1
  Fe  Fe56  1  0.516169  0.550717  0.443684  1
  Fe  Fe57  1  0.883824  0.258390  0.413366  1
  Fe  Fe58  1  0.598049  0.925168  0.432072  1
  Fe  Fe59  1  0.964735  0.632255  0.401809  1
  Fe  Fe60  1  0.332051  0.339517  0.371392  1
  Fe  Fe61  1  0.831226  0.755133  0.483529  1
  Fe  Fe62  1  0.096581  0.340598  0.544037  1
  Fe  Fe63  1  0.464179  0.048036  0.513753  1
  Fe  Fe64  1  0.192856  0.928626  0.518130  1
  Fe  Fe65  1  0.559903  0.635722  0.487905  1
  Fe  Fe66  1  0.927501  0.343160  0.457621  1
  Fe  Fe67  1  0.874968  0.840457  0.527739  1
  Fe  Fe68  1  0.242111  0.547597  0.497522  1
  Fe  Fe69  1  0.609588  0.254772  0.467179  1
  Fe  Fe70  1  0.845703  0.965247  0.489128  1
  Fe  Fe71  1  0.212362  0.672697  0.458844  1
  Fe  Fe72  1  0.478050  0.258028  0.519320  1
  Fe  Fe73  1  0.178379  0.718512  0.512530  1
  Fe  Fe74  1  0.546032  0.425731  0.482339  1
  Fe  Fe75  1  0.811720  0.011061  0.542814  1
  Fe  Fe76  1  0.837464  0.650101  0.524294  1
  Fe  Fe77  1  0.205124  0.357444  0.494072  1
  Fe  Fe78  1  0.572207  0.064682  0.463956  1
  Fe  Fe79  1  0.528022  0.880532  0.478981  1
  Fe  Fe80  1  0.793570  0.465965  0.539410  1
  Fe  Fe81  1  0.160733  0.173402  0.509200  1
  Fe  Fe82  1  0.186618  0.033657  0.477364  1
  Fe  Fe83  1  0.451875  0.619077  0.537703  1
  Fe  Fe84  1  0.818958  0.326315  0.507586  1
  Fe  Fe85  1  0.149114  0.843301  0.473920  1
  Fe  Fe86  1  0.414494  0.428987  0.534479  1
  Fe  Fe87  1  0.781971  0.136161  0.504136  1
  Fe  Fe88  1  0.496060  0.803227  0.522677  1
  Fe  Fe89  1  0.863349  0.510357  0.492458  1
  Fe  Fe90  1  0.230512  0.217794  0.462249  1
  Fe  Fe91  1  0.729461  0.632923  0.573975  1
  Fe  Fe92  1  0.995930  0.218578  0.634946  1
  Fe  Fe93  1  0.362868  0.926363  0.604656  1
  Fe  Fe94  1  0.091301  0.806519  0.608657  1
  Fe  Fe95  1  0.458738  0.514125  0.578724  1
  Fe  Fe96  1  0.825656  0.221341  0.548342  1
  Fe  Fe97  1  0.774049  0.718823  0.618239  1
  Fe  Fe98  1  0.140258  0.425368  0.588292  1
  Fe  Fe99  1  0.507913  0.133042  0.557974  1
  Fe  Fe100  1  0.743866  0.843301  0.579719  1
  Fe  Fe101  1  0.110909  0.550555  0.549518  1
  Fe  Fe102  1  0.377341  0.136198  0.609986  1
  Fe  Fe103  1  0.076565  0.596453  0.603139  1
  Fe  Fe104  1  0.444020  0.304290  0.573103  1
  Fe  Fe105  1  0.710494  0.889118  0.633475  1
  Fe  Fe106  1  0.736867  0.527786  0.615056  1
  Fe  Fe107  1  0.103200  0.235660  0.584823  1
  Fe  Fe108  1  0.470085  0.942883  0.554543  1
  Fe  Fe109  1  0.426033  0.758590  0.569586  1
  Fe  Fe110  1  0.692031  0.344242  0.630266  1
  Fe  Fe111  1  0.059347  0.051503  0.599850  1
  Fe  Fe112  1  0.085596  0.911625  0.568052  1
  Fe  Fe113  1  0.347262  0.497390  0.628328  1
  Fe  Fe114  1  0.718180  0.204437  0.598209  1
  Fe  Fe115  1  0.046973  0.721413  0.564500  1
  Fe  Fe116  1  0.313009  0.306806  0.625052  1
  Fe  Fe117  1  0.680843  0.014111  0.594774  1
  Fe  Fe118  1  0.394009  0.681417  0.613126  1
  Fe  Fe119  1  0.761879  0.388412  0.583263  1
  Fe  Fe120  1  0.129473  0.095889  0.552945  1
  Fe  Fe121  1  0.624876  0.510369  0.663782  1
  Fe  Fe122  1  0.891573  0.095506  0.726120  1
  Fe  Fe123  1  0.267823  0.806559  0.697115  1
  Fe  Fe124  1  0.992877  0.685509  0.700116  1
  Fe  Fe125  1  0.355943  0.392757  0.669190  1
  Fe  Fe126  1  0.724866  0.099485  0.638894  1
  Fe  Fe127  1  0.668477  0.594622  0.707975  1
  Fe  Fe128  1  0.036482  0.303377  0.679381  1
  Fe  Fe129  1  0.405510  0.010635  0.648974  1
  Fe  Fe130  1  0.643576  0.721265  0.670162  1
  Fe  Fe131  1  0.007420  0.428000  0.640577  1
  Fe  Fe132  1  0.280033  0.014139  0.700913  1
  Fe  Fe133  1  0.968173  0.474161  0.692933  1
  Fe  Fe134  1  0.341415  0.182639  0.663538  1
  Fe  Fe135  1  0.634490  0.752491  0.724537  1
  Fe  Fe136  1  0.636915  0.404535  0.706569  1
  Fe  Fe137  1  0.003809  0.112655  0.675507  1
  Fe  Fe138  1  0.368433  0.821451  0.645169  1
  Fe  Fe139  1  0.323913  0.637335  0.660130  1
  Fe  Fe140  1  0.594655  0.226277  0.721246  1
  Fe  Fe141  1  0.958333  0.929627  0.690688  1
  Fe  Fe142  1  0.988287  0.789814  0.658815  1
  Fe  Fe143  1  0.234040  0.370689  0.719436  1
  Fe  Fe144  1  0.617060  0.081558  0.689126  1
  Fe  Fe145  1  0.944137  0.599651  0.655025  1
  Fe  Fe146  1  0.203800  0.189491  0.715940  1
  Fe  Fe147  1  0.580629  0.892789  0.685499  1
  Fe  Fe148  1  0.280765  0.562147  0.704650  1
  Fe  Fe149  1  0.662264  0.265773  0.673679  1
  Fe  Fe150  1  0.029923  0.973451  0.643726  1
  C  C151  1  0.045970  0.113302  0.279262  1
  C  C152  1  0.292424  0.697013  0.339261  1
  C  C153  1  0.658989  0.403979  0.309082  1
  C  C154  1  0.603770  1.000231  0.302962  1
  C  C155  1  0.867845  0.586023  0.362974  1
  C  C156  1  0.237428  0.293018  0.332160  1
  C  C157  1  0.828459  0.170319  0.336486  1
  C  C158  1  0.193384  0.878294  0.306383  1
  C  C159  1  0.566059  0.580210  0.276433  1
  C  C160  1  0.403857  0.059140  0.360705  1
  C  C161  1  0.766943  0.767716  0.329500  1
  C  C162  1  0.134235  0.476278  0.299427  1
  C  C163  1  0.926994  0.989997  0.369489  1
  C  C164  1  0.192217  0.575270  0.429843  1
  C  C165  1  0.559389  0.282431  0.399434  1
  C  C166  1  0.501611  0.878315  0.393192  1
  C  C167  1  0.766861  0.463771  0.453547  1
  C  C168  1  0.134023  0.171383  0.423370  1
  C  C169  1  0.726320  0.049183  0.427252  1
  C  C170  1  0.092361  0.756338  0.396891  1
  C  C171  1  0.459910  0.463659  0.366740  1
  C  C172  1  0.300703  0.937656  0.451012  1
  C  C173  1  0.667114  0.644980  0.420670  1
  C  C174  1  0.034674  0.352574  0.390304  1
  C  C175  1  0.825469  0.868009  0.460067  1
  C  C176  1  0.090904  0.453255  0.520476  1
  C  C177  1  0.458012  0.160822  0.490246  1
  C  C178  1  0.399973  0.756493  0.483825  1
  C  C179  1  0.665199  0.342013  0.544313  1
  C  C180  1  0.032757  0.049365  0.514082  1
  C  C181  1  0.624109  0.927266  0.517833  1
  C  C182  1  0.991325  0.634394  0.487576  1
  C  C183  1  0.358883  0.341746  0.457345  1
  C  C184  1  0.198613  0.815750  0.541591  1
  C  C185  1  0.566070  0.522937  0.511412  1
  C  C186  1  0.933178  0.230504  0.481182  1
  C  C187  1  0.723379  0.746102  0.550646  1
  C  C188  1  0.989409  0.331184  0.611355  1
  C  C189  1  0.356968  0.038778  0.580988  1
  C  C190  1  0.297762  0.634576  0.574406  1
  C  C191  1  0.564172  0.220099  0.634918  1
  C  C192  1  0.931721  0.927421  0.604767  1
  C  C193  1  0.522471  0.805443  0.608466  1
  C  C194  1  0.890059  0.512376  0.578289  1
  C  C195  1  0.257221  0.219988  0.548111  1
  C  C196  1  0.097088  0.693761  0.632170  1
  C  C197  1  0.464693  0.401327  0.602224  1
  C  C198  1  0.831865  0.108489  0.571815  1
  C  C199  1  0.620225  0.624619  0.640953  1
  C  C200  1  0.889847  0.207481  0.702231  1
  C  C201  1  0.257139  0.916043  0.672158  1
  C  C202  1  0.195623  0.513440  0.665172  1
  C  C203  1  0.458023  0.103549  0.725225  1
  C  C204  1  0.830698  0.805465  0.695275  1
  C  C205  1  0.420312  0.683528  0.698696  1
  C  C206  1  0.786654  0.390740  0.669498  1
  C  C207  1  0.156237  0.097736  0.638684  1
  C  C208  1  0.978112  0.570457  0.722396  1
  C  C209  1  0.365093  0.279779  0.692576  1
  C  C210  1  0.731658  0.986745  0.662397  1
