# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21819927
_cell_length_b   14.25137457
_cell_length_c   47.97882701
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.10280596
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe120 C60'
_cell_volume   3554.99290253
_cell_formula_units_Z   60
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  0.839857  0.082517  0.300942  1
  Fe  Fe2  1  0.768326  0.408069  0.315923  1
  Fe  Fe3  1  0.917762  0.757903  0.285821  1
  Fe  Fe4  1  0.108666  0.927728  0.307366  1
  Fe  Fe5  1  0.260250  0.276749  0.277595  1
  Fe  Fe6  1  0.186840  0.602669  0.292392  1
  Fe  Fe7  1  0.342605  0.097463  0.301647  1
  Fe  Fe8  1  0.264845  0.422866  0.316641  1
  Fe  Fe9  1  0.413171  0.774152  0.286511  1
  Fe  Fe10  1  0.610316  0.913093  0.306705  1
  Fe  Fe11  1  0.763969  0.260725  0.276713  1
  Fe  Fe12  1  0.699167  0.592717  0.291992  1
  Fe  Fe13  1  0.614780  0.058770  0.346116  1
  Fe  Fe14  1  0.539396  0.384227  0.361202  1
  Fe  Fe15  1  0.692415  0.733117  0.331407  1
  Fe  Fe16  1  0.878797  0.904737  0.353103  1
  Fe  Fe17  1  0.034736  0.252678  0.322374  1
  Fe  Fe18  1  0.958474  0.578478  0.337524  1
  Fe  Fe19  1  0.111707  0.074163  0.347062  1
  Fe  Fe20  1  0.036163  0.399264  0.361949  1
  Fe  Fe21  1  0.186611  0.749087  0.331841  1
  Fe  Fe22  1  0.382397  0.887995  0.352345  1
  Fe  Fe23  1  0.537149  0.238680  0.321749  1
  Fe  Fe24  1  0.460670  0.563869  0.336925  1
  Fe  Fe25  1  0.388190  0.034397  0.391761  1
  Fe  Fe26  1  0.312539  0.359703  0.406815  1
  Fe  Fe27  1  0.463323  0.709193  0.376596  1
  Fe  Fe28  1  0.652179  0.880429  0.398584  1
  Fe  Fe29  1  0.803855  0.229736  0.368146  1
  Fe  Fe30  1  0.728562  0.554931  0.383195  1
  Fe  Fe31  1  0.884913  0.050047  0.392538  1
  Fe  Fe32  1  0.808687  0.375176  0.407524  1
  Fe  Fe33  1  0.960845  0.724627  0.377238  1
  Fe  Fe34  1  0.156815  0.864698  0.397786  1
  Fe  Fe35  1  0.307742  0.213556  0.367403  1
  Fe  Fe36  1  0.232436  0.539323  0.382465  1
  Fe  Fe37  1  0.161355  0.010253  0.437219  1
  Fe  Fe38  1  0.084883  0.335525  0.452273  1
  Fe  Fe39  1  0.236282  0.684927  0.422018  1
  Fe  Fe40  1  0.425958  0.855808  0.443927  1
  Fe  Fe41  1  0.577518  0.205273  0.413473  1
  Fe  Fe42  1  0.501734  0.530450  0.428611  1
  Fe  Fe43  1  0.656928  0.025862  0.437943  1
  Fe  Fe44  1  0.581292  0.351078  0.452999  1
  Fe  Fe45  1  0.733194  0.700394  0.422744  1
  Fe  Fe46  1  0.929115  0.840392  0.443192  1
  Fe  Fe47  1  0.081204  0.190097  0.412786  1
  Fe  Fe48  1  0.004780  0.515069  0.427926  1
  Fe  Fe49  1  0.933487  0.986162  0.482668  1
  Fe  Fe50  1  0.857575  0.311326  0.497776  1
  Fe  Fe51  1  0.008598  0.660847  0.467450  1
  Fe  Fe52  1  0.198482  0.831647  0.489330  1
  Fe  Fe53  1  0.349357  0.181392  0.459016  1
  Fe  Fe54  1  0.273707  0.506463  0.474116  1
  Fe  Fe55  1  0.429532  0.001661  0.483361  1
  Fe  Fe56  1  0.353936  0.326900  0.498506  1
  Fe  Fe57  1  0.505683  0.676264  0.468184  1
  Fe  Fe58  1  0.701637  0.816247  0.488614  1
  Fe  Fe59  1  0.853300  0.165764  0.458270  1
  Fe  Fe60  1  0.777310  0.490814  0.473423  1
  Fe  Fe61  1  0.705899  0.961985  0.528095  1
  Fe  Fe62  1  0.630168  0.287158  0.543260  1
  Fe  Fe63  1  0.781344  0.636665  0.512888  1
  Fe  Fe64  1  0.971024  0.807520  0.534772  1
  Fe  Fe65  1  0.122129  0.157168  0.504488  1
  Fe  Fe66  1  0.046173  0.482296  0.519571  1
  Fe  Fe67  1  0.202246  0.977588  0.528786  1
  Fe  Fe68  1  0.126587  0.302796  0.543990  1
  Fe  Fe69  1  0.278143  0.652133  0.513630  1
  Fe  Fe70  1  0.474166  0.792124  0.534058  1
  Fe  Fe71  1  0.625761  0.141639  0.503735  1
  Fe  Fe72  1  0.550091  0.466715  0.518877  1
  Fe  Fe73  1  0.477650  0.938081  0.573597  1
  Fe  Fe74  1  0.402227  0.263135  0.588775  1
  Fe  Fe75  1  0.553948  0.612505  0.558318  1
  Fe  Fe76  1  0.743076  0.783466  0.580182  1
  Fe  Fe77  1  0.894798  0.132955  0.549962  1
  Fe  Fe78  1  0.818425  0.458178  0.565059  1
  Fe  Fe79  1  0.974664  0.953320  0.574263  1
  Fe  Fe80  1  0.898657  0.278353  0.589487  1
  Fe  Fe81  1  0.050447  0.627882  0.559068  1
  Fe  Fe82  1  0.246603  0.768004  0.579464  1
  Fe  Fe83  1  0.398212  0.117399  0.549218  1
  Fe  Fe84  1  0.322928  0.442570  0.564321  1
  Fe  Fe85  1  0.250761  0.913607  0.618961  1
  Fe  Fe86  1  0.176088  0.238649  0.634069  1
  Fe  Fe87  1  0.328525  0.587624  0.603660  1
  Fe  Fe88  1  0.515988  0.759231  0.625627  1
  Fe  Fe89  1  0.667280  0.108751  0.595395  1
  Fe  Fe90  1  0.592510  0.433918  0.610563  1
  Fe  Fe91  1  0.748210  0.929663  0.619670  1
  Fe  Fe92  1  0.671977  0.254756  0.634875  1
  Fe  Fe93  1  0.822476  0.603530  0.604466  1
  Fe  Fe94  1  0.018497  0.743844  0.624981  1
  Fe  Fe95  1  0.170581  0.093212  0.594671  1
  Fe  Fe96  1  0.094914  0.418457  0.609806  1
  Fe  Fe97  1  0.021516  0.889716  0.664667  1
  Fe  Fe98  1  0.945210  0.215435  0.679894  1
  Fe  Fe99  1  0.100662  0.563913  0.649331  1
  Fe  Fe100  1  0.286471  0.734734  0.670870  1
  Fe  Fe101  1  0.440217  0.084147  0.641036  1
  Fe  Fe102  1  0.365319  0.409345  0.656188  1
  Fe  Fe103  1  0.518494  0.904186  0.665389  1
  Fe  Fe104  1  0.442898  0.229434  0.680542  1
  Fe  Fe105  1  0.595754  0.580022  0.649935  1
  Fe  Fe106  1  0.792170  0.719140  0.669985  1
  Fe  Fe107  1  0.943887  0.069058  0.640281  1
  Fe  Fe108  1  0.868646  0.393834  0.655106  1
  Fe  Fe109  1  0.792791  0.865239  0.709743  1
  Fe  Fe110  1  0.718888  0.191610  0.724652  1
  Fe  Fe111  1  0.868490  0.541011  0.695204  1
  Fe  Fe112  1  0.062389  0.711174  0.716533  1
  Fe  Fe113  1  0.211475  0.059944  0.686333  1
  Fe  Fe114  1  0.139911  0.385658  0.701311  1
  Fe  Fe115  1  0.280204  0.874908  0.710099  1
  Fe  Fe116  1  0.214891  0.206962  0.725499  1
  Fe  Fe117  1  0.365698  0.553894  0.695155  1
  Fe  Fe118  1  0.566423  0.693530  0.715678  1
  Fe  Fe119  1  0.715173  0.045285  0.685579  1
  Fe  Fe120  1  0.636879  0.370903  0.700754  1
  C  C121  1  0.589501  0.017085  0.281071  1
  C  C122  1  0.515258  0.343250  0.296316  1
  C  C123  1  0.437975  0.669140  0.311760  1
  C  C124  1  0.124701  0.855265  0.273536  1
  C  C125  1  0.052867  0.178329  0.288897  1
  C  C126  1  0.977684  0.504990  0.303882  1
  C  C127  1  0.360518  0.992903  0.327056  1
  C  C128  1  0.286139  0.318214  0.342023  1
  C  C129  1  0.210315  0.644028  0.357093  1
  C  C130  1  0.898053  0.831266  0.319473  1
  C  C131  1  0.823882  0.156327  0.334507  1
  C  C132  1  0.748403  0.481715  0.349516  1
  C  C133  1  0.134112  0.969358  0.372395  1
  C  C134  1  0.058634  0.294758  0.387394  1
  C  C135  1  0.982683  0.619859  0.402585  1
  C  C136  1  0.671980  0.806859  0.364975  1
  C  C137  1  0.596675  0.131740  0.379849  1
  C  C138  1  0.520670  0.457190  0.394935  1
  C  C139  1  0.907005  0.945274  0.417885  1
  C  C140  1  0.830953  0.270460  0.432894  1
  C  C141  1  0.755097  0.595566  0.448069  1
  C  C142  1  0.444823  0.782461  0.410269  1
  C  C143  1  0.368954  0.107949  0.425379  1
  C  C144  1  0.293061  0.433089  0.440464  1
  C  C145  1  0.679571  0.921085  0.463291  1
  C  C146  1  0.603590  0.246371  0.478372  1
  C  C147  1  0.527630  0.571459  0.493518  1
  C  C148  1  0.217364  0.758284  0.455675  1
  C  C149  1  0.141431  0.083774  0.470841  1
  C  C150  1  0.065733  0.408851  0.485934  1
  C  C151  1  0.452013  0.896903  0.508714  1
  C  C152  1  0.376141  0.222176  0.523872  1
  C  C153  1  0.300169  0.547304  0.538957  1
  C  C154  1  0.989886  0.734170  0.501114  1
  C  C155  1  0.913876  0.059631  0.516301  1
  C  C156  1  0.838280  0.384708  0.531426  1
  C  C157  1  0.224532  0.872837  0.554140  1
  C  C158  1  0.148711  0.198031  0.569340  1
  C  C159  1  0.072857  0.523078  0.584405  1
  C  C160  1  0.762432  0.710025  0.546543  1
  C  C161  1  0.686491  0.035389  0.561740  1
  C  C162  1  0.610831  0.360508  0.576916  1
  C  C163  1  0.996838  0.848507  0.599596  1
  C  C164  1  0.921068  0.173631  0.614859  1
  C  C165  1  0.845940  0.499182  0.629971  1
  C  C166  1  0.534794  0.685900  0.591967  1
  C  C167  1  0.458842  0.011352  0.607272  1
  C  C168  1  0.383352  0.336669  0.622399  1
  C  C169  1  0.768963  0.824843  0.644988  1
  C  C170  1  0.693765  0.150001  0.660220  1
  C  C171  1  0.620320  0.475020  0.675192  1
  C  C172  1  0.307292  0.661513  0.637203  1
  C  C173  1  0.231553  0.986525  0.652697  1
  C  C174  1  0.156193  0.311753  0.667766  1
  C  C175  1  0.541996  0.798507  0.690410  1
  C  C176  1  0.464621  0.124748  0.705933  1
  C  C177  1  0.389369  0.451252  0.721264  1
  C  C178  1  0.078995  0.637330  0.682974  1
  C  C179  1  0.002009  0.963014  0.698345  1
  C  C180  1  0.926863  0.289862  0.713355  1
