# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68711123
_cell_length_b   19.88789095
_cell_length_c   54.66341742
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe180 C60'
_cell_volume   5095.54649895
_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  0.184113  0.516541  0.317306  1
  Fe  Fe2  1  0.188388  0.102552  0.287030  1
  Fe  Fe3  1  0.182471  0.932950  0.347440  1
  Fe  Fe4  1  0.672004  0.297127  0.340137  1
  Fe  Fe5  1  0.686239  0.880237  0.309876  1
  Fe  Fe6  1  0.660552  0.465793  0.279219  1
  Fe  Fe7  1  0.391896  0.300432  0.306799  1
  Fe  Fe8  1  0.405939  0.883788  0.276319  1
  Fe  Fe9  1  0.400126  0.715568  0.336859  1
  Fe  Fe10  1  0.449756  0.593113  0.350748  1
  Fe  Fe11  1  0.449272  0.177401  0.320266  1
  Fe  Fe12  1  0.447996  0.760237  0.290424  1
  Fe  Fe13  1  0.712490  0.138449  0.274687  1
  Fe  Fe14  1  0.708429  0.970596  0.334945  1
  Fe  Fe15  1  0.710269  0.554835  0.304990  1
  Fe  Fe16  1  0.190771  0.426403  0.293110  1
  Fe  Fe17  1  0.212237  0.010610  0.262912  1
  Fe  Fe18  1  0.205924  0.842280  0.322723  1
  Fe  Fe19  1  0.952489  0.219187  0.306304  1
  Fe  Fe20  1  0.964467  0.801563  0.277435  1
  Fe  Fe21  1  0.949372  0.636007  0.336468  1
  Fe  Fe22  1  0.904073  0.331602  0.292987  1
  Fe  Fe23  1  0.922172  0.914581  0.262493  1
  Fe  Fe24  1  0.923177  0.748905  0.322827  1
  Fe  Fe25  1  0.429887  0.231846  0.274666  1
  Fe  Fe26  1  0.427463  0.063171  0.334401  1
  Fe  Fe27  1  0.430283  0.647067  0.303939  1
  Fe  Fe28  1  0.654442  0.425805  0.320753  1
  Fe  Fe29  1  0.673982  0.012701  0.289157  1
  Fe  Fe30  1  0.630156  0.590465  0.261885  1
  Fe  Fe31  1  0.902207  0.513976  0.350738  1
  Fe  Fe32  1  0.907263  0.098655  0.320431  1
  Fe  Fe33  1  0.913382  0.679026  0.287925  1
  Fe  Fe34  1  0.151588  0.386373  0.336441  1
  Fe  Fe35  1  0.164937  0.970935  0.306131  1
  Fe  Fe36  1  0.155517  0.552923  0.275879  1
  Fe  Fe37  1  0.181465  0.764369  0.407800  1
  Fe  Fe38  1  0.181103  0.348505  0.377569  1
  Fe  Fe39  1  0.181222  0.180506  0.438203  1
  Fe  Fe40  1  0.681501  0.544231  0.431126  1
  Fe  Fe41  1  0.679445  0.128448  0.400784  1
  Fe  Fe42  1  0.680866  0.712549  0.370490  1
  Fe  Fe43  1  0.400969  0.547551  0.397556  1
  Fe  Fe44  1  0.398787  0.131655  0.367243  1
  Fe  Fe45  1  0.400375  0.963373  0.427840  1
  Fe  Fe46  1  0.449404  0.840983  0.441643  1
  Fe  Fe47  1  0.448708  0.424969  0.411373  1
  Fe  Fe48  1  0.449667  0.009138  0.380990  1
  Fe  Fe49  1  0.705023  0.386815  0.365321  1
  Fe  Fe50  1  0.705284  0.218703  0.425833  1
  Fe  Fe51  1  0.706810  0.802885  0.395549  1
  Fe  Fe52  1  0.206023  0.674057  0.382681  1
  Fe  Fe53  1  0.201976  0.257966  0.352521  1
  Fe  Fe54  1  0.205608  0.089923  0.413226  1
  Fe  Fe55  1  0.948594  0.467923  0.397423  1
  Fe  Fe56  1  0.950481  0.051841  0.366964  1
  Fe  Fe57  1  0.949447  0.883705  0.427651  1
  Fe  Fe58  1  0.925645  0.581808  0.383715  1
  Fe  Fe59  1  0.921215  0.165578  0.353542  1
  Fe  Fe60  1  0.924768  -0.002516  0.414016  1
  Fe  Fe61  1  0.424276  0.479253  0.364601  1
  Fe  Fe62  1  0.424495  0.311143  0.425120  1
  Fe  Fe63  1  0.426083  0.895300  0.394754  1
  Fe  Fe64  1  0.657748  0.673927  0.411771  1
  Fe  Fe65  1  0.656068  0.257919  0.381382  1
  Fe  Fe66  1  0.658425  0.841864  0.351292  1
  Fe  Fe67  1  0.900545  0.761519  0.441455  1
  Fe  Fe68  1  0.900044  0.345561  0.411233  1
  Fe  Fe69  1  0.901969  0.929640  0.380912  1
  Fe  Fe70  1  0.157218  0.635100  0.427204  1
  Fe  Fe71  1  0.155885  0.218935  0.396901  1
  Fe  Fe72  1  0.156601  0.802759  0.366648  1
  Fe  Fe73  1  0.180484  0.012190  0.498828  1
  Fe  Fe74  1  0.181182  0.596507  0.468471  1
  Fe  Fe75  1  0.181906  0.428288  0.529012  1
  Fe  Fe76  1  0.680850  0.792015  0.522067  1
  Fe  Fe77  1  0.681165  0.375893  0.491698  1
  Fe  Fe78  1  0.680997  0.960133  0.461431  1
  Fe  Fe79  1  0.400058  0.795140  0.488445  1
  Fe  Fe80  1  0.400656  0.379226  0.458139  1
  Fe  Fe81  1  0.400760  0.210876  0.518727  1
  Fe  Fe82  1  0.448875  0.088574  0.532589  1
  Fe  Fe83  1  0.448861  0.672789  0.502250  1
  Fe  Fe84  1  0.448752  0.256779  0.471921  1
  Fe  Fe85  1  0.705921  0.634816  0.456119  1
  Fe  Fe86  1  0.706169  0.466554  0.516658  1
  Fe  Fe87  1  0.705553  0.050529  0.486468  1
  Fe  Fe88  1  0.205502  0.921809  0.473818  1
  Fe  Fe89  1  0.205987  0.505927  0.443491  1
  Fe  Fe90  1  0.206096  0.337568  0.504045  1
  Fe  Fe91  1  0.948797  0.715644  0.488259  1
  Fe  Fe92  1  0.948892  0.299650  0.457960  1
  Fe  Fe93  1  0.948747  0.131290  0.518579  1
  Fe  Fe94  1  0.924775  0.829417  0.474603  1
  Fe  Fe95  1  0.925276  0.413533  0.444301  1
  Fe  Fe96  1  0.925419  0.245202  0.504887  1
  Fe  Fe97  1  0.425196  0.727208  0.455308  1
  Fe  Fe98  1  0.425423  0.558962  0.515894  1
  Fe  Fe99  1  0.424877  0.142905  0.485625  1
  Fe  Fe100  1  0.656784  0.921473  0.502736  1
  Fe  Fe101  1  0.657232  0.505723  0.472389  1
  Fe  Fe102  1  0.657348  0.089685  0.442066  1
  Fe  Fe103  1  0.899845  0.009094  0.532415  1
  Fe  Fe104  1  0.900553  0.593314  0.502054  1
  Fe  Fe105  1  0.900568  0.177255  0.471791  1
  Fe  Fe106  1  0.156518  0.882668  0.518204  1
  Fe  Fe107  1  0.157142  0.466783  0.487778  1
  Fe  Fe108  1  0.157358  0.050780  0.457526  1
  Fe  Fe109  1  0.183421  0.260046  0.589599  1
  Fe  Fe110  1  0.178892  0.843985  0.559455  1
  Fe  Fe111  1  0.177809  0.675863  0.619908  1
  Fe  Fe112  1  0.681064  0.039194  0.612937  1
  Fe  Fe113  1  0.680486  0.624051  0.582627  1
  Fe  Fe114  1  0.681239  0.207587  0.552287  1
  Fe  Fe115  1  0.400760  0.042670  0.579406  1
  Fe  Fe116  1  0.399535  0.626914  0.548980  1
  Fe  Fe117  1  0.399314  0.458834  0.609419  1
  Fe  Fe118  1  0.449834  0.336393  0.623324  1
  Fe  Fe119  1  0.448316  0.920409  0.593319  1
  Fe  Fe120  1  0.448724  0.504539  0.562742  1
  Fe  Fe121  1  0.704680  0.882441  0.547125  1
  Fe  Fe122  1  0.702960  0.714415  0.607716  1
  Fe  Fe123  1  0.707313  0.298249  0.577221  1
  Fe  Fe124  1  0.206129  0.169360  0.564659  1
  Fe  Fe125  1  0.204775  0.753713  0.534425  1
  Fe  Fe126  1  0.204964  0.585452  0.594904  1
  Fe  Fe127  1  0.948217  0.963283  0.579254  1
  Fe  Fe128  1  0.949031  0.547494  0.548809  1
  Fe  Fe129  1  0.949641  0.378948  0.609345  1
  Fe  Fe130  1  0.925541  0.077040  0.565550  1
  Fe  Fe131  1  0.923965  0.661265  0.535145  1
  Fe  Fe132  1  0.924121  0.492978  0.595618  1
  Fe  Fe133  1  0.423992  0.974807  0.546230  1
  Fe  Fe134  1  0.422209  0.806807  0.606865  1
  Fe  Fe135  1  0.426589  0.390661  0.576456  1
  Fe  Fe136  1  0.658842  0.169187  0.593587  1
  Fe  Fe137  1  0.655175  0.753422  0.563347  1
  Fe  Fe138  1  0.657543  0.337396  0.532946  1
  Fe  Fe139  1  0.902447  0.256973  0.623247  1
  Fe  Fe140  1  0.898225  0.841081  0.593025  1
  Fe  Fe141  1  0.901337  0.424945  0.562587  1
  Fe  Fe142  1  0.158614  0.130355  0.609006  1
  Fe  Fe143  1  0.154417  0.714603  0.578837  1
  Fe  Fe144  1  0.158126  0.298459  0.548299  1
  Fe  Fe145  1  0.186876  0.507916  0.680118  1
  Fe  Fe146  1  0.190072  0.092591  0.650270  1
  Fe  Fe147  1  0.236936  0.927948  0.709992  1
  Fe  Fe148  1  0.691514  0.298071  0.704488  1
  Fe  Fe149  1  0.678718  0.870162  0.673763  1
  Fe  Fe150  1  0.680193  0.456480  0.643022  1
  Fe  Fe151  1  0.406147  0.291062  0.670196  1
  Fe  Fe152  1  0.398033  0.874675  0.640189  1
  Fe  Fe153  1  0.401372  0.705208  0.701143  1
  Fe  Fe154  1  0.446401  0.582981  0.714078  1
  Fe  Fe155  1  0.472484  0.171454  0.683022  1
  Fe  Fe156  1  0.444275  0.751862  0.653975  1
  Fe  Fe157  1  0.711147  0.130261  0.637717  1
  Fe  Fe158  1  0.714907  0.962386  0.697739  1
  Fe  Fe159  1  0.705137  0.545987  0.668246  1
  Fe  Fe160  1  0.204994  0.417399  0.655432  1
  Fe  Fe161  1  0.205684  0.001418  0.625380  1
  Fe  Fe162  1  0.200128  0.831575  0.685592  1
  Fe  Fe163  1  0.947725  0.211521  0.669857  1
  Fe  Fe164  1  0.945153  0.795690  0.639801  1
  Fe  Fe165  1  0.938102  0.627419  0.699836  1
  Fe  Fe166  1  0.924475  0.325116  0.656569  1
  Fe  Fe167  1  0.924421  0.909075  0.626043  1
  Fe  Fe168  1  0.921598  0.740019  0.685835  1
  Fe  Fe169  1  0.429554  0.222854  0.637151  1
  Fe  Fe170  1  0.426606  0.058020  0.697928  1
  Fe  Fe171  1  0.424244  0.638131  0.667458  1
  Fe  Fe172  1  0.667209  0.416634  0.684283  1
  Fe  Fe173  1  0.658575  0.001253  0.654261  1
  Fe  Fe174  1  0.654449  0.585340  0.623826  1
  Fe  Fe175  1  0.903919  0.504820  0.714054  1
  Fe  Fe176  1  0.908942  0.089549  0.683974  1
  Fe  Fe177  1  0.897691  0.672394  0.653371  1
  Fe  Fe178  1  0.150660  0.378695  0.699853  1
  Fe  Fe179  1  0.156710  0.962761  0.669467  1
  Fe  Fe180  1  0.154473  0.546448  0.639054  1
  C  C181  1  0.064811  0.187939  0.274457  1
  C  C182  1  0.062929  0.019170  0.335316  1
  C  C183  1  0.066456  0.602718  0.305030  1
  C  C184  1  0.546370  0.512401  0.333279  1
  C  C185  1  0.550491  0.096450  0.303131  1
  C  C186  1  0.545398  0.680423  0.272443  1
  C  C187  1  0.547695  0.379104  0.291362  1
  C  C188  1  0.565344  0.961865  0.260748  1
  C  C189  1  0.561541  0.794249  0.321853  1
  C  C190  1  1.035899  0.299949  0.324234  1
  C  C191  1  1.051238  0.884320  0.293985  1
  C  C192  1  1.031115  0.466593  0.264218  1
  C  C193  1  0.060401  0.435010  0.365796  1
  C  C194  1  0.060676  0.266897  0.426310  1
  C  C195  1  0.062406  0.850998  0.396025  1
  C  C196  1  0.544943  0.760572  0.423949  1
  C  C197  1  0.544288  0.344437  0.393753  1
  C  C198  1  0.546379  0.928622  0.363405  1
  C  C199  1  0.561850  0.626026  0.382365  1
  C  C200  1  0.558348  0.210176  0.351982  1
  C  C201  1  0.561274  0.041848  0.412650  1
  C  C202  1  1.045360  0.548349  0.415060  1
  C  C203  1  1.043615  0.132152  0.384815  1
  C  C204  1  1.043931  0.716300  0.354274  1
  C  C205  1  0.061363  0.682991  0.456614  1
  C  C206  1  0.061548  0.514753  0.517176  1
  C  C207  1  0.061102  0.098662  0.486927  1
  C  C208  1  0.544377  0.008173  0.514889  1
  C  C209  1  0.544974  0.592434  0.484544  1
  C  C210  1  0.544978  0.176320  0.454283  1
  C  C211  1  0.561036  0.873677  0.473305  1
  C  C212  1  0.561469  0.457769  0.442991  1
  C  C213  1  0.561561  0.289399  0.503562  1
  C  C214  1  1.044513  0.796032  0.505960  1
  C  C215  1  1.045031  0.380042  0.475642  1
  C  C216  1  1.044866  0.964097  0.445362  1
  C  C217  1  0.060258  0.930564  0.547604  1
  C  C218  1  0.058459  0.762566  0.608234  1
  C  C219  1  0.062761  0.346423  0.577702  1
  C  C220  1  0.547099  0.255979  0.605699  1
  C  C221  1  0.542666  0.840103  0.575514  1
  C  C222  1  0.545647  0.424140  0.545095  1
  C  C223  1  0.561584  0.121184  0.564235  1
  C  C224  1  0.560279  0.705570  0.533906  1
  C  C225  1  0.560773  0.537438  0.594365  1
  C  C226  1  1.045155  0.043668  0.596912  1
  C  C227  1  1.044039  0.627945  0.566501  1
  C  C228  1  1.045128  0.211715  0.536230  1
  C  C229  1  0.065874  0.178712  0.638387  1
  C  C230  1  0.069275  0.010824  0.699033  1
  C  C231  1  0.060586  0.594152  0.668549  1
  C  C232  1  0.547907  0.502608  0.696624  1
  C  C233  1  0.553650  0.088479  0.666399  1
  C  C234  1  0.540870  0.671877  0.636062  1
  C  C235  1  0.561923  0.369879  0.654864  1
  C  C236  1  0.560490  0.952968  0.624988  1
  C  C237  1  0.556772  0.783937  0.685702  1
  C  C238  1  1.050384  0.291199  0.687678  1
  C  C239  1  1.041308  0.876038  0.657524  1
  C  C240  1  1.043964  0.459549  0.626965  1
