# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.38415549
_cell_length_b   8.09524571
_cell_length_c   49.96764670
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.77778139
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe144 C48'
_cell_volume   4042.13867586
_cell_formula_units_Z   48
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  0.756154  0.311950  0.350035  1
  Fe  Fe2  1  0.179627  0.453441  0.312021  1
  Fe  Fe3  1  0.910659  0.864722  0.337427  1
  Fe  Fe4  1  0.326917  0.988567  0.299218  1
  Fe  Fe5  1  0.993442  0.336548  0.343469  1
  Fe  Fe6  1  0.415703  0.471673  0.304790  1
  Fe  Fe7  1  0.149345  0.893902  0.330728  1
  Fe  Fe8  1  0.567390  0.029702  0.292599  1
  Fe  Fe9  1  0.707863  0.326089  0.302190  1
  Fe  Fe10  1  0.284983  0.185739  0.334110  1
  Fe  Fe11  1  0.824220  0.111882  0.322330  1
  Fe  Fe12  1  0.397507  0.962969  0.356815  1
  Fe  Fe13  1  0.019971  0.628785  0.314689  1
  Fe  Fe14  1  0.597023  0.476792  0.349365  1
  Fe  Fe15  1  0.966189  0.883191  0.292235  1
  Fe  Fe16  1  0.547728  0.738923  0.326932  1
  Fe  Fe17  1  0.043891  0.166415  0.308234  1
  Fe  Fe18  1  0.620089  0.021874  0.343401  1
  Fe  Fe19  1  0.937916  0.376325  0.288214  1
  Fe  Fe20  1  0.505449  0.234403  0.322566  1
  Fe  Fe21  1  0.726100  0.867474  0.295162  1
  Fe  Fe22  1  0.307017  0.724513  0.330120  1
  Fe  Fe23  1  0.779217  0.608941  0.318939  1
  Fe  Fe24  1  0.359219  0.458985  0.352859  1
  Fe  Fe25  1  0.908013  0.009567  0.420758  1
  Fe  Fe26  1  0.330776  0.157939  0.384840  1
  Fe  Fe27  1  0.062732  0.563042  0.407383  1
  Fe  Fe28  1  0.487798  0.714073  0.372169  1
  Fe  Fe29  1  0.145158  0.035378  0.414289  1
  Fe  Fe30  1  0.567441  0.187219  0.378348  1
  Fe  Fe31  1  0.300496  0.589901  0.400916  1
  Fe  Fe32  1  0.724738  0.742007  0.365792  1
  Fe  Fe33  1  0.859879  0.033659  0.371529  1
  Fe  Fe34  1  0.435879  0.881194  0.406606  1
  Fe  Fe35  1  0.975016  0.812209  0.393269  1
  Fe  Fe36  1  0.550850  0.662154  0.428255  1
  Fe  Fe37  1  0.173389  0.325869  0.384752  1
  Fe  Fe38  1  0.749832  0.175649  0.420522  1
  Fe  Fe39  1  0.122830  0.594754  0.360854  1
  Fe  Fe40  1  0.698267  0.443425  0.396771  1
  Fe  Fe41  1  0.196491  0.865296  0.379853  1
  Fe  Fe42  1  0.772109  0.717994  0.415021  1
  Fe  Fe43  1  0.082810  0.090053  0.357847  1
  Fe  Fe44  1  0.657617  0.936622  0.393551  1
  Fe  Fe45  1  0.882418  0.574582  0.365823  1
  Fe  Fe46  1  0.457570  0.423334  0.401165  1
  Fe  Fe47  1  0.930828  0.307305  0.389709  1
  Fe  Fe48  1  0.510011  0.155959  0.424779  1
  Fe  Fe49  1  0.060417  0.707667  0.491625  1
  Fe  Fe50  1  0.483646  0.857409  0.456100  1
  Fe  Fe51  1  0.215704  0.262887  0.478356  1
  Fe  Fe52  1  0.640086  0.412275  0.443083  1
  Fe  Fe53  1  0.297099  0.733775  0.485053  1
  Fe  Fe54  1  0.720257  0.885885  0.449632  1
  Fe  Fe55  1  0.452910  0.289252  0.471904  1
  Fe  Fe56  1  0.876375  0.440742  0.436598  1
  Fe  Fe57  1  0.011322  0.732164  0.442273  1
  Fe  Fe58  1  0.588668  0.580279  0.477749  1
  Fe  Fe59  1  0.126842  0.510895  0.463769  1
  Fe  Fe60  1  0.703279  0.361107  0.499317  1
  Fe  Fe61  1  0.325638  0.024381  0.455698  1
  Fe  Fe62  1  0.902171  0.874776  0.491502  1
  Fe  Fe63  1  0.275981  0.290763  0.432356  1
  Fe  Fe64  1  0.850769  0.142882  0.467768  1
  Fe  Fe65  1  0.348587  0.565996  0.450304  1
  Fe  Fe66  1  0.924864  0.416695  0.485962  1
  Fe  Fe67  1  0.232937  0.787044  0.428635  1
  Fe  Fe68  1  0.809792  0.636314  0.464424  1
  Fe  Fe69  1  0.034592  0.273391  0.436730  1
  Fe  Fe70  1  0.610363  0.123070  0.472277  1
  Fe  Fe71  1  0.084720  0.007352  0.460263  1
  Fe  Fe72  1  0.660942  0.857305  0.495683  1
  Fe  Fe73  1  0.212732  0.405866  0.562485  1
  Fe  Fe74  1  0.636197  0.557356  0.527179  1
  Fe  Fe75  1  0.368850  0.960723  0.549450  1
  Fe  Fe76  1  0.792007  0.112834  0.514030  1
  Fe  Fe77  1  0.449021  0.434333  0.555999  1
  Fe  Fe78  1  0.873403  0.583721  0.520726  1
  Fe  Fe79  1  0.605460  0.989200  0.542983  1
  Fe  Fe80  1  0.028689  0.138941  0.507458  1
  Fe  Fe81  1  0.164242  0.429913  0.513121  1
  Fe  Fe82  1  0.740520  0.280612  0.548779  1
  Fe  Fe83  1  0.279314  0.210294  0.534658  1
  Fe  Fe84  1  0.856170  0.059564  0.570448  1
  Fe  Fe85  1  0.478744  0.723538  0.526806  1
  Fe  Fe86  1  0.054515  0.573217  0.562352  1
  Fe  Fe87  1  0.428164  0.989303  0.503400  1
  Fe  Fe88  1  0.004387  0.839257  0.538820  1
  Fe  Fe89  1  0.500439  0.266330  0.521333  1
  Fe  Fe90  1  0.077785  0.114444  0.556810  1
  Fe  Fe91  1  0.385828  0.485502  0.499766  1
  Fe  Fe92  1  0.962265  0.335713  0.535313  1
  Fe  Fe93  1  0.186935  0.971833  0.507580  1
  Fe  Fe94  1  0.763468  0.822227  0.543385  1
  Fe  Fe95  1  0.238338  0.703726  0.531314  1
  Fe  Fe96  1  0.813125  0.555845  0.566726  1
  Fe  Fe97  1  0.364368  0.104601  0.633290  1
  Fe  Fe98  1  0.788611  0.256708  0.598167  1
  Fe  Fe99  1  0.521666  0.659389  0.620734  1
  Fe  Fe100  1  0.943948  0.811230  0.584794  1
  Fe  Fe101  1  0.601308  0.132536  0.626913  1
  Fe  Fe102  1  0.026375  0.283566  0.591700  1
  Fe  Fe103  1  0.758330  0.688669  0.614242  1
  Fe  Fe104  1  0.181094  0.837042  0.578324  1
  Fe  Fe105  1  0.316997  0.128614  0.584062  1
  Fe  Fe106  1  0.892615  0.981312  0.619230  1
  Fe  Fe107  1  0.431490  0.909987  0.605532  1
  Fe  Fe108  1  0.006296  0.756556  0.641236  1
  Fe  Fe109  1  0.631536  0.423275  0.597917  1
  Fe  Fe110  1  0.206688  0.272027  0.633259  1
  Fe  Fe111  1  0.579096  0.690650  0.574303  1
  Fe  Fe112  1  0.158278  0.539304  0.609374  1
  Fe  Fe113  1  0.653227  0.965414  0.592476  1
  Fe  Fe114  1  0.229227  0.812949  0.627554  1
  Fe  Fe115  1  0.538256  0.184454  0.570828  1
  Fe  Fe116  1  0.114090  0.034399  0.605813  1
  Fe  Fe117  1  0.339274  0.670959  0.578561  1
  Fe  Fe118  1  0.915717  0.520739  0.614331  1
  Fe  Fe119  1  0.390839  0.403184  0.602311  1
  Fe  Fe120  1  0.966276  0.251854  0.638229  1
  Fe  Fe121  1  0.521717  0.816906  0.706484  1
  Fe  Fe122  1  0.939761  0.952706  0.668355  1
  Fe  Fe123  1  0.673403  0.374935  0.694292  1
  Fe  Fe124  1  0.095664  0.510060  0.655614  1
  Fe  Fe125  1  0.762189  0.858041  0.699865  1
  Fe  Fe126  1  0.178448  0.981886  0.661656  1
  Fe  Fe127  1  0.909480  0.393167  0.687061  1
  Fe  Fe128  1  0.332953  0.534658  0.649048  1
  Fe  Fe129  1  0.469018  0.824734  0.655682  1
  Fe  Fe130  1  0.045215  0.680194  0.690849  1
  Fe  Fe131  1  0.583658  0.612205  0.676517  1
  Fe  Fe132  1  0.151191  0.470283  0.710868  1
  Fe  Fe133  1  0.782089  0.122095  0.668962  1
  Fe  Fe134  1  0.363006  0.979134  0.703920  1
  Fe  Fe135  1  0.729887  0.387623  0.646224  1
  Fe  Fe136  1  0.309890  0.237668  0.680144  1
  Fe  Fe137  1  0.804123  0.660869  0.664973  1
  Fe  Fe138  1  0.381244  0.520519  0.696893  1
  Fe  Fe139  1  0.691600  0.883639  0.642267  1
  Fe  Fe140  1  0.264886  0.734726  0.676752  1
  Fe  Fe141  1  0.492083  0.369816  0.649717  1
  Fe  Fe142  1  0.069135  0.217823  0.684393  1
  Fe  Fe143  1  0.541379  0.107685  0.672151  1
  Fe  Fe144  1  0.122917  0.963417  0.706848  1
  C  C145  1  0.177535  0.332914  0.345226  1
  C  C146  1  0.599536  0.477160  0.310903  1
  C  C147  1  0.872705  0.063320  0.286655  1
  C  C148  1  0.454053  0.919657  0.321496  1
  C  C149  1  0.874977  0.429702  0.322443  1
  C  C150  1  0.448902  0.282273  0.357651  1
  C  C151  1  0.728326  0.872902  0.333607  1
  C  C152  1  0.148541  0.014744  0.297675  1
  C  C153  1  0.328339  0.029289  0.417236  1
  C  C154  1  0.749763  0.178780  0.382061  1
  C  C155  1  0.030359  0.769961  0.357817  1
  C  C156  1  0.605650  0.617843  0.392850  1
  C  C157  1  0.027083  0.129893  0.393388  1
  C  C158  1  0.601967  0.980995  0.428881  1
  C  C159  1  0.879904  0.570436  0.404285  1
  C  C160  1  0.304759  0.719557  0.368578  1
  C  C161  1  0.479978  0.727027  0.488343  1
  C  C162  1  0.903100  0.879149  0.453042  1
  C  C163  1  0.181341  0.469094  0.428226  1
  C  C164  1  0.758367  0.317558  0.463897  1
  C  C165  1  0.178956  0.828625  0.464230  1
  C  C166  1  0.755374  0.678980  0.499935  1
  C  C167  1  0.032660  0.269229  0.475191  1
  C  C168  1  0.457399  0.419567  0.439627  1
  C  C169  1  0.631707  0.427041  0.559455  1
  C  C170  1  0.056446  0.577380  0.523891  1
  C  C171  1  0.333732  0.167628  0.499148  1
  C  C172  1  0.910150  0.017984  0.534853  1
  C  C173  1  0.330739  0.529050  0.535186  1
  C  C174  1  0.907766  0.377514  0.570856  1
  C  C175  1  0.186006  0.967459  0.546040  1
  C  C176  1  0.609128  0.119582  0.510739  1
  C  C177  1  0.784348  0.127051  0.630504  1
  C  C178  1  0.209203  0.276172  0.594798  1
  C  C179  1  0.487139  0.865613  0.570201  1
  C  C180  1  0.062023  0.716715  0.605695  1
  C  C181  1  0.483456  0.228765  0.606233  1
  C  C182  1  0.058747  0.076647  0.641265  1
  C  C183  1  0.339344  0.667829  0.617022  1
  C  C184  1  0.760767  0.817319  0.581846  1
  C  C185  1  0.940565  0.831864  0.701408  1
  C  C186  1  0.360780  0.973706  0.665476  1
  C  C187  1  0.640204  0.564336  0.641432  1
  C  C188  1  0.214129  0.416906  0.676640  1
  C  C189  1  0.635053  0.926951  0.677587  1
  C  C190  1  0.216401  0.783288  0.712427  1
  C  C191  1  0.489570  0.369448  0.688179  1
  C  C192  1  0.911571  0.513694  0.653857  1
