# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79031714
_cell_length_b   15.53378430
_cell_length_c   50.71547608
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.86785565
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe150 C60'
_cell_volume   3728.71706748
_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  0.297910  0.206620  0.336561  1
  Fe  Fe2  1  0.567317  0.773192  0.274007  1
  Fe  Fe3  1  0.418908  0.487595  0.305398  1
  Fe  Fe4  1  0.784702  0.872395  0.305314  1
  Fe  Fe5  1  0.641929  0.594162  0.336088  1
  Fe  Fe6  1  0.508706  0.313577  0.366715  1
  Fe  Fe7  1  0.871532  0.984124  0.335345  1
  Fe  Fe8  1  0.736339  0.704707  0.364918  1
  Fe  Fe9  1  0.006747  0.263274  0.304262  1
  Fe  Fe10  1  0.719103  0.124043  0.320399  1
  Fe  Fe11  1  0.588984  0.845838  0.349989  1
  Fe  Fe12  1  0.864315  0.404159  0.289454  1
  Fe  Fe13  1  0.364836  0.953765  0.324441  1
  Fe  Fe14  1  0.220490  0.675327  0.352643  1
  Fe  Fe15  1  0.507268  0.233871  0.291885  1
  Fe  Fe16  1  0.379794  0.067010  0.352253  1
  Fe  Fe17  1  0.670663  0.626677  0.289815  1
  Fe  Fe18  1  0.515818  0.346349  0.322727  1
  Fe  Fe19  1  0.842566  0.190106  0.359197  1
  Fe  Fe20  1  0.112758  0.752899  0.297723  1
  Fe  Fe21  1  0.978520  0.468200  0.329200  1
  Fe  Fe22  1  0.714607  0.011146  0.289866  1
  Fe  Fe23  1  0.567929  0.734345  0.321304  1
  Fe  Fe24  1  0.430087  0.454182  0.350395  1
  Fe  Fe25  1  0.182740  0.099126  0.305671  1
  Fe  Fe26  1  0.076737  0.813218  0.338019  1
  Fe  Fe27  1  0.346073  0.369633  0.277257  1
  Fe  Fe28  1  0.286186  0.904676  0.283282  1
  Fe  Fe29  1  0.103906  0.607649  0.312939  1
  Fe  Fe30  1  0.964101  0.329860  0.344161  1
  Fe  Fe31  1  0.882404  0.368280  0.427501  1
  Fe  Fe32  1  0.158108  0.927207  0.367016  1
  Fe  Fe33  1  0.024099  0.647596  0.397270  1
  Fe  Fe34  1  0.367338  0.034021  0.397019  1
  Fe  Fe35  1  0.226989  0.753846  0.426812  1
  Fe  Fe36  1  0.086997  0.474316  0.457259  1
  Fe  Fe37  1  0.456323  0.146114  0.425835  1
  Fe  Fe38  1  0.316342  0.866312  0.456042  1
  Fe  Fe39  1  0.595725  0.425950  0.395556  1
  Fe  Fe40  1  0.308091  0.286071  0.410668  1
  Fe  Fe41  1  0.168097  0.006161  0.440969  1
  Fe  Fe42  1  0.447075  0.565162  0.380312  1
  Fe  Fe43  1  0.942641  0.116136  0.413521  1
  Fe  Fe44  1  0.802262  0.836200  0.443791  1
  Fe  Fe45  1  0.083762  0.395876  0.383261  1
  Fe  Fe46  1  0.963738  0.228193  0.442688  1
  Fe  Fe47  1  0.242222  0.787272  0.382292  1
  Fe  Fe48  1  0.102971  0.507886  0.412361  1
  Fe  Fe49  1  0.421841  0.351221  0.449956  1
  Fe  Fe50  1  0.702627  0.910215  0.389530  1
  Fe  Fe51  1  0.561089  0.631211  0.419595  1
  Fe  Fe52  1  0.286786  0.173758  0.381276  1
  Fe  Fe53  1  0.147158  0.894094  0.411582  1
  Fe  Fe54  1  0.005459  0.614117  0.442092  1
  Fe  Fe55  1  0.795342  0.255854  0.398418  1
  Fe  Fe56  1  0.653389  0.975960  0.428721  1
  Fe  Fe57  1  0.930150  0.536315  0.368116  1
  Fe  Fe58  1  0.826911  0.050529  0.374372  1
  Fe  Fe59  1  0.686660  0.770551  0.404499  1
  Fe  Fe60  1  0.548418  0.491215  0.434805  1
  Fe  Fe61  1  0.463180  0.528823  0.518300  1
  Fe  Fe62  1  0.742746  0.088332  0.457781  1
  Fe  Fe63  1  0.603142  0.808571  0.488046  1
  Fe  Fe64  1  0.947289  0.194505  0.487519  1
  Fe  Fe65  1  0.807327  0.914757  0.517773  1
  Fe  Fe66  1  0.667724  0.634996  0.548038  1
  Fe  Fe67  1  0.037097  0.306763  0.516610  1
  Fe  Fe68  1  0.896409  0.027073  0.546905  1
  Fe  Fe69  1  0.176643  0.586543  0.486316  1
  Fe  Fe70  1  0.888491  0.446659  0.501476  1
  Fe  Fe71  1  0.749088  0.166880  0.531775  1
  Fe  Fe72  1  0.028487  0.726459  0.471155  1
  Fe  Fe73  1  0.521979  0.276670  0.504344  1
  Fe  Fe74  1  0.381983  0.996869  0.534665  1
  Fe  Fe75  1  0.661382  0.556448  0.474044  1
  Fe  Fe76  1  0.544199  0.388899  0.533491  1
  Fe  Fe77  1  0.823944  0.948429  0.472973  1
  Fe  Fe78  1  0.683985  0.668692  0.503202  1
  Fe  Fe79  1  0.002221  0.511965  0.540742  1
  Fe  Fe80  1  0.282063  0.071468  0.480232  1
  Fe  Fe81  1  0.142107  0.791709  0.510468  1
  Fe  Fe82  1  0.866271  0.334429  0.472329  1
  Fe  Fe83  1  0.726484  0.054636  0.502618  1
  Fe  Fe84  1  0.586526  0.774899  0.532846  1
  Fe  Fe85  1  0.373372  0.416565  0.489209  1
  Fe  Fe86  1  0.233826  0.136785  0.519503  1
  Fe  Fe87  1  0.514060  0.696255  0.458914  1
  Fe  Fe88  1  0.408248  0.211363  0.465077  1
  Fe  Fe89  1  0.268362  0.931619  0.495352  1
  Fe  Fe90  1  0.128406  0.651860  0.525587  1
  Fe  Fe91  1  0.043131  0.689307  0.608801  1
  Fe  Fe92  1  0.323472  0.249012  0.548561  1
  Fe  Fe93  1  0.183480  0.969482  0.579008  1
  Fe  Fe94  1  0.528066  0.355048  0.578318  1
  Fe  Fe95  1  0.386371  0.075732  0.608549  1
  Fe  Fe96  1  0.252361  0.796121  0.638804  1
  Fe  Fe97  1  0.615128  0.467474  0.607402  1
  Fe  Fe98  1  0.480319  0.187013  0.637703  1
  Fe  Fe99  1  0.757080  0.747368  0.577099  1
  Fe  Fe100  1  0.467828  0.607192  0.592299  1
  Fe  Fe101  1  0.326708  0.327453  0.622558  1
  Fe  Fe102  1  0.608207  0.887128  0.562028  1
  Fe  Fe103  1  0.102378  0.437257  0.595152  1
  Fe  Fe104  1  0.963394  0.158166  0.625507  1
  Fe  Fe105  1  0.242372  0.717167  0.564850  1
  Fe  Fe106  1  0.123684  0.549570  0.624544  1
  Fe  Fe107  1  0.405010  0.109211  0.563727  1
  Fe  Fe108  1  0.263311  0.829235  0.594238  1
  Fe  Fe109  1  0.583559  0.672799  0.631447  1
  Fe  Fe110  1  0.862052  0.232114  0.571015  1
  Fe  Fe111  1  0.723809  0.952777  0.601320  1
  Fe  Fe112  1  0.446732  0.495135  0.563132  1
  Fe  Fe113  1  0.307498  0.215443  0.593459  1
  Fe  Fe114  1  0.168247  0.936057  0.623528  1
  Fe  Fe115  1  0.954147  0.577214  0.579984  1
  Fe  Fe116  1  0.814744  0.297378  0.610264  1
  Fe  Fe117  1  0.094128  0.857016  0.549778  1
  Fe  Fe118  1  0.988628  0.372107  0.555864  1
  Fe  Fe119  1  0.849380  0.092117  0.586225  1
  Fe  Fe120  1  0.707842  0.813113  0.616289  1
  Fe  Fe121  1  0.625767  0.850933  0.700506  1
  Fe  Fe122  1  0.901763  0.409751  0.639104  1
  Fe  Fe123  1  0.768540  0.129166  0.669732  1
  Fe  Fe124  1  0.112559  0.516708  0.669258  1
  Fe  Fe125  1  0.991562  0.235733  0.700422  1
  Fe  Fe126  1  0.843152  0.950136  0.731813  1
  Fe  Fe127  1  0.227729  0.624202  0.700149  1
  Fe  Fe128  1  0.064397  0.353695  0.728563  1
  Fe  Fe129  1  0.333732  0.910110  0.667801  1
  Fe  Fe130  1  0.045633  0.769563  0.681379  1
  Fe  Fe131  1  0.903201  0.489457  0.713935  1
  Fe  Fe132  1  0.189980  0.048001  0.653176  1
  Fe  Fe133  1  0.691366  0.599285  0.685420  1
  Fe  Fe134  1  0.546154  0.319169  0.716365  1
  Fe  Fe135  1  0.821485  0.877490  0.655831  1
  Fe  Fe136  1  0.695863  0.712182  0.715954  1
  Fe  Fe137  1  0.980382  0.269146  0.655425  1
  Fe  Fe138  1  0.842540  0.988983  0.684516  1
  Fe  Fe139  1  0.124283  0.818652  0.722538  1
  Fe  Fe140  1  0.446368  0.393468  0.661659  1
  Fe  Fe141  1  0.306563  0.115679  0.692881  1
  Fe  Fe142  1  0.030675  0.656318  0.653567  1
  Fe  Fe143  1  0.894652  0.376979  0.683093  1
  Fe  Fe144  1  0.739806  0.096651  0.716004  1
  Fe  Fe145  1  0.538937  0.739204  0.670474  1
  Fe  Fe146  1  0.403722  0.460054  0.701558  1
  Fe  Fe147  1  0.674131  0.018621  0.640902  1
  Fe  Fe148  1  0.567903  0.533222  0.646622  1
  Fe  Fe149  1  0.431950  0.255128  0.676620  1
  Fe  Fe150  1  0.297711  0.970429  0.708096  1
  C  C151  1  0.028315  0.103345  0.342442  1
  C  C152  1  0.319447  0.667804  0.282896  1
  C  C153  1  0.164748  0.381719  0.312347  1
  C  C154  1  0.533969  0.112832  0.286685  1
  C  C155  1  0.395477  0.836057  0.314641  1
  C  C156  1  0.253411  0.555951  0.345231  1
  C  C157  1  0.548369  0.964099  0.358250  1
  C  C158  1  0.814632  0.521183  0.298333  1
  C  C159  1  0.687745  0.243618  0.327685  1
  C  C160  1  0.059432  0.975979  0.302155  1
  C  C161  1  0.919266  0.695114  0.329474  1
  C  C162  1  0.778317  0.416861  0.360785  1
  C  C163  1  0.611856  0.265146  0.433368  1
  C  C164  1  0.889711  0.823598  0.372865  1
  C  C165  1  0.751131  0.544987  0.403095  1
  C  C166  1  0.118532  0.276832  0.375531  1
  C  C167  1  0.977604  0.996987  0.405969  1
  C  C168  1  0.837991  0.717193  0.436121  1
  C  C169  1  0.131895  0.125189  0.448563  1
  C  C170  1  0.412355  0.684414  0.387719  1
  C  C171  1  0.271729  0.405042  0.418336  1
  C  C172  1  0.638025  0.136948  0.390912  1
  C  C173  1  0.498174  0.856949  0.421109  1
  C  C174  1  0.357869  0.577322  0.451306  1
  C  C175  1  0.192182  0.425804  0.524193  1
  C  C176  1  0.471861  0.985284  0.463675  1
  C  C177  1  0.331952  0.705567  0.493895  1
  C  C178  1  0.697916  0.437418  0.466493  1
  C  C179  1  0.558238  0.157636  0.496770  1
  C  C180  1  0.418226  0.877892  0.527006  1
  C  C181  1  0.712554  0.285910  0.539326  1
  C  C182  1  0.992244  0.845436  0.478814  1
  C  C183  1  0.852232  0.565692  0.509050  1
  C  C184  1  0.218287  0.297524  0.481626  1
  C  C185  1  0.078518  0.017761  0.511925  1
  C  C186  1  0.938608  0.738044  0.542145  1
  C  C187  1  0.772445  0.586380  0.614907  1
  C  C188  1  0.052600  0.146006  0.554514  1
  C  C189  1  0.912295  0.866379  0.584710  1
  C  C190  1  0.278574  0.598139  0.557256  1
  C  C191  1  0.138740  0.318286  0.587483  1
  C  C192  1  0.998115  0.038914  0.618100  1
  C  C193  1  0.291937  0.446496  0.630288  1
  C  C194  1  0.572478  0.006135  0.569699  1
  C  C195  1  0.432865  0.726341  0.599851  1
  C  C196  1  0.798614  0.458182  0.572452  1
  C  C197  1  0.659338  0.178342  0.602725  1
  C  C198  1  0.520759  0.899730  0.632955  1
  C  C199  1  0.351037  0.747349  0.703664  1
  C  C200  1  0.632152  0.306467  0.645034  1
  C  C201  1  0.491203  0.028214  0.676346  1
  C  C202  1  0.862100  0.759229  0.647569  1
  C  C203  1  0.722724  0.479711  0.678135  1
  C  C204  1  0.595837  0.202145  0.707486  1
  C  C205  1  0.876501  0.610497  0.719134  1
  C  C206  1  0.157058  0.167377  0.660588  1
  C  C207  1  0.014992  0.887271  0.691179  1
  C  C208  1  0.382155  0.619984  0.663377  1
  C  C209  1  0.245721  0.341609  0.693472  1
  C  C210  1  0.091022  0.055524  0.722924  1
