# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56935166
_cell_length_b   14.90501539
_cell_length_c   47.45017698
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe108 C54'
_cell_volume   3231.653935
_cell_formula_units_Z   54
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  0.350693  0.549779  0.314385  1
  Fe  Fe2  1  0.350838  0.903593  0.297562  1
  Fe  Fe3  1  0.326347  0.257999  0.281526  1
  Fe  Fe4  1  0.649856  0.415506  0.299367  1
  Fe  Fe5  1  0.649113  0.769240  0.283049  1
  Fe  Fe6  1  0.648668  0.063637  0.316002  1
  Fe  Fe7  1  0.852652  0.592691  0.291271  1
  Fe  Fe8  1  0.854933  0.946189  0.275004  1
  Fe  Fe9  1  0.848836  0.239388  0.307381  1
  Fe  Fe10  1  0.147859  0.373086  0.322772  1
  Fe  Fe11  1  0.149516  0.725943  0.306097  1
  Fe  Fe12  1  0.152561  0.080276  0.289405  1
  Fe  Fe13  1  0.350782  0.492593  0.364331  1
  Fe  Fe14  1  0.351797  0.844550  0.347705  1
  Fe  Fe15  1  0.350747  0.196953  0.331245  1
  Fe  Fe16  1  0.649176  0.358994  0.349198  1
  Fe  Fe17  1  0.650923  0.710845  0.332323  1
  Fe  Fe18  1  0.649046  0.006710  0.366007  1
  Fe  Fe19  1  0.850159  0.534728  0.340622  1
  Fe  Fe20  1  0.849009  0.887100  0.324063  1
  Fe  Fe21  1  0.851768  0.183080  0.357778  1
  Fe  Fe22  1  0.149470  0.316529  0.372737  1
  Fe  Fe23  1  0.149895  0.668791  0.355975  1
  Fe  Fe24  1  0.148381  0.021039  0.339350  1
  Fe  Fe25  1  0.351099  0.435493  0.414381  1
  Fe  Fe26  1  0.351159  0.787748  0.397722  1
  Fe  Fe27  1  0.350829  0.140314  0.381074  1
  Fe  Fe28  1  0.648961  0.301988  0.399401  1
  Fe  Fe29  1  0.649118  0.654349  0.382606  1
  Fe  Fe30  1  0.649337  0.949403  0.415928  1
  Fe  Fe31  1  0.851580  0.478200  0.390997  1
  Fe  Fe32  1  0.850974  0.830499  0.374313  1
  Fe  Fe33  1  0.850716  0.125579  0.407620  1
  Fe  Fe34  1  0.149145  0.259233  0.422739  1
  Fe  Fe35  1  0.149429  0.611625  0.406039  1
  Fe  Fe36  1  0.148894  0.963900  0.389416  1
  Fe  Fe37  1  0.351313  0.378249  0.464395  1
  Fe  Fe38  1  0.350891  0.730613  0.447714  1
  Fe  Fe39  1  0.350952  0.082988  0.431083  1
  Fe  Fe40  1  0.649471  0.244692  0.449322  1
  Fe  Fe41  1  0.649176  0.597066  0.432576  1
  Fe  Fe42  1  0.649228  0.892327  0.465963  1
  Fe  Fe43  1  0.851203  0.420935  0.440992  1
  Fe  Fe44  1  0.850880  0.773197  0.424210  1
  Fe  Fe45  1  0.850967  0.068517  0.457655  1
  Fe  Fe46  1  0.149138  0.202048  0.472757  1
  Fe  Fe47  1  0.149238  0.554456  0.456037  1
  Fe  Fe48  1  0.149395  0.906809  0.439402  1
  Fe  Fe49  1  0.351170  0.321091  0.514430  1
  Fe  Fe50  1  0.350945  0.673482  0.497725  1
  Fe  Fe51  1  0.350971  0.025877  0.481088  1
  Fe  Fe52  1  0.649422  0.187531  0.499314  1
  Fe  Fe53  1  0.649078  0.539949  0.482643  1
  Fe  Fe54  1  0.649224  0.835148  0.515952  1
  Fe  Fe55  1  0.851056  0.363746  0.490989  1
  Fe  Fe56  1  0.851161  0.716131  0.474282  1
  Fe  Fe57  1  0.850854  0.011329  0.507634  1
  Fe  Fe58  1  0.149169  0.144903  0.522767  1
  Fe  Fe59  1  0.149143  0.497268  0.506059  1
  Fe  Fe60  1  0.149422  0.849681  0.489410  1
  Fe  Fe61  1  0.351008  0.263965  0.564472  1
  Fe  Fe62  1  0.351149  0.616257  0.547701  1
  Fe  Fe63  1  0.350988  0.968695  0.531070  1
  Fe  Fe64  1  0.649296  0.130426  0.549324  1
  Fe  Fe65  1  0.649156  0.482750  0.532656  1
  Fe  Fe66  1  0.649261  0.778014  0.565963  1
  Fe  Fe67  1  0.851047  0.306594  0.541002  1
  Fe  Fe68  1  0.851259  0.658956  0.524292  1
  Fe  Fe69  1  0.850739  0.954180  0.557640  1
  Fe  Fe70  1  0.149303  0.087833  0.572822  1
  Fe  Fe71  1  0.149046  0.440068  0.556069  1
  Fe  Fe72  1  0.149450  0.792507  0.539387  1
  Fe  Fe73  1  0.351054  0.206670  0.614425  1
  Fe  Fe74  1  0.351046  0.559209  0.597763  1
  Fe  Fe75  1  0.350888  0.911615  0.581099  1
  Fe  Fe76  1  0.648819  0.073381  0.599303  1
  Fe  Fe77  1  0.649443  0.425531  0.582684  1
  Fe  Fe78  1  0.649313  0.720778  0.615944  1
  Fe  Fe79  1  0.850740  0.249417  0.591004  1
  Fe  Fe80  1  0.851612  0.601832  0.574322  1
  Fe  Fe81  1  0.850921  0.897076  0.607611  1
  Fe  Fe82  1  0.148794  0.030461  0.622706  1
  Fe  Fe83  1  0.148801  0.382884  0.606108  1
  Fe  Fe84  1  0.149999  0.735480  0.589422  1
  Fe  Fe85  1  0.349221  0.150031  0.664730  1
  Fe  Fe86  1  0.351152  0.501947  0.647740  1
  Fe  Fe87  1  0.351437  0.854279  0.630958  1
  Fe  Fe88  1  0.648526  0.016223  0.649356  1
  Fe  Fe89  1  0.649333  0.368313  0.632738  1
  Fe  Fe90  1  0.650875  0.663527  0.665978  1
  Fe  Fe91  1  0.850416  0.192168  0.641073  1
  Fe  Fe92  1  0.851946  0.544498  0.624368  1
  Fe  Fe93  1  0.851564  0.840428  0.657597  1
  Fe  Fe94  1  0.150146  0.973772  0.673023  1
  Fe  Fe95  1  0.149873  0.326062  0.656438  1
  Fe  Fe96  1  0.148900  0.677792  0.639097  1
  Fe  Fe97  1  0.350880  0.091650  0.714039  1
  Fe  Fe98  1  0.350265  0.445090  0.697794  1
  Fe  Fe99  1  0.351956  0.797280  0.681198  1
  Fe  Fe100  1  0.648805  0.957623  0.699404  1
  Fe  Fe101  1  0.649116  0.311096  0.682682  1
  Fe  Fe102  1  0.655073  0.607612  0.715559  1
  Fe  Fe103  1  0.850669  0.134894  0.690956  1
  Fe  Fe104  1  0.849895  0.487474  0.674311  1
  Fe  Fe105  1  0.849604  0.781180  0.707441  1
  Fe  Fe106  1  0.147568  0.915096  0.722161  1
  Fe  Fe107  1  0.147513  0.268134  0.705783  1
  Fe  Fe108  1  0.148201  0.621320  0.689296  1
  C  C109  1  0.001396  0.482407  0.306585  1
  C  C110  1  0.002604  0.835392  0.290034  1
  C  C111  1  0.999042  0.130642  0.323614  1
  C  C112  1  0.498730  0.306279  0.315199  1
  C  C113  1  0.499306  0.658914  0.298243  1
  C  C114  1  0.501467  0.012753  0.281595  1
  C  C115  1  0.999658  0.425859  0.356850  1
  C  C116  1  0.999912  0.778245  0.340186  1
  C  C117  1  0.000304  0.073357  0.373510  1
  C  C118  1  0.500524  0.249760  0.365251  1
  C  C119  1  0.500791  0.601942  0.348478  1
  C  C120  1  0.499589  0.954279  0.331926  1
  C  C121  1  0.000187  0.368691  0.406864  1
  C  C122  1  0.000427  0.720975  0.390097  1
  C  C123  1  1.000018  0.016226  0.423536  1
  C  C124  1  0.500052  0.192432  0.415213  1
  C  C125  1  0.500197  0.544838  0.398443  1
  C  C126  1  0.499809  0.897194  0.381813  1
  C  C127  1  0.000306  0.311502  0.456871  1
  C  C128  1  0.999984  0.663857  0.440151  1
  C  C129  1  0.000167  0.959075  0.473518  1
  C  C130  1  0.500059  0.135295  0.465198  1
  C  C131  1  0.500216  0.487698  0.448511  1
  C  C132  1  0.500255  0.840021  0.431842  1
  C  C133  1  0.000216  0.254342  0.506881  1
  C  C134  1  0.000118  0.606684  0.490163  1
  C  C135  1  0.000063  0.901927  0.523525  1
  C  C136  1  0.500094  0.078150  0.515208  1
  C  C137  1  0.500116  0.430510  0.498529  1
  C  C138  1  0.500186  0.782871  0.481829  1
  C  C139  1  0.000190  0.197185  0.556891  1
  C  C140  1  0.000117  0.549514  0.540186  1
  C  C141  1  0.000219  0.844771  0.573503  1
  C  C142  1  0.499935  0.021009  0.565190  1
  C  C143  1  0.500124  0.373345  0.548559  1
  C  C144  1  0.500315  0.725708  0.531842  1
  C  C145  1  0.999733  0.140051  0.606935  1
  C  C146  1  0.000325  0.492352  0.590201  1
  C  C147  1  0.999944  0.787674  0.623518  1
  C  C148  1  0.500254  0.963920  0.615206  1
  C  C149  1  0.499976  0.316204  0.598603  1
  C  C150  1  0.500409  0.668513  0.581816  1
  C  C151  1  0.000184  0.082674  0.656852  1
  C  C152  1  0.000374  0.435024  0.640274  1
  C  C153  1  0.001691  0.730725  0.673181  1
  C  C154  1  0.499457  0.906614  0.665111  1
  C  C155  1  0.499377  0.258932  0.648575  1
  C  C156  1  0.501049  0.611306  0.631874  1
  C  C157  1  0.997335  0.025504  0.707080  1
  C  C158  1  0.998575  0.378395  0.690470  1
  C  C159  1  0.006620  0.673402  0.723751  1
  C  C160  1  0.500626  0.848369  0.715516  1
  C  C161  1  0.500865  0.201909  0.698816  1
  C  C162  1  0.499263  0.554438  0.681864  1
