# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.62651241
_cell_length_b   7.99813717
_cell_length_c   49.22513238
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.50279531
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe144 C48'
_cell_volume   4050.54596605
_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  0.437726  0.378165  0.342140  1
  Fe  Fe2  1  0.010745  0.507333  0.303794  1
  Fe  Fe3  1  0.764949  0.053136  0.295303  1
  Fe  Fe4  1  0.206100  0.906736  0.331941  1
  Fe  Fe5  1  0.568572  0.481638  0.309680  1
  Fe  Fe6  1  0.006593  0.355644  0.347124  1
  Fe  Fe7  1  0.776083  0.879232  0.337974  1
  Fe  Fe8  1  0.336763  0.029823  0.301581  1
  Fe  Fe9  1  0.695654  0.233766  0.333493  1
  Fe  Fe10  1  0.258644  0.368284  0.297744  1
  Fe  Fe11  1  0.501813  0.189524  0.305525  1
  Fe  Fe12  1  0.931102  0.049149  0.339830  1
  Fe  Fe13  1  0.776235  0.598043  0.332466  1
  Fe  Fe14  1  0.341640  0.732447  0.295230  1
  Fe  Fe15  1  0.538815  0.805502  0.312829  1
  Fe  Fe16  1  0.981567  0.656284  0.349545  1
  Fe  Fe17  1  0.518927  0.023413  0.346483  1
  Fe  Fe18  1  0.080201  0.163185  0.311778  1
  Fe  Fe19  1  0.838637  0.349337  0.304379  1
  Fe  Fe20  1  0.282427  0.209830  0.340335  1
  Fe  Fe21  1  0.447428  0.666744  0.346782  1
  Fe  Fe22  1  0.027667  0.809257  0.310820  1
  Fe  Fe23  1  0.795600  0.749992  0.292512  1
  Fe  Fe24  1  0.229454  0.607695  0.328294  1
  Fe  Fe25  1  0.308308  0.091940  0.412307  1
  Fe  Fe26  1  0.873992  0.236480  0.376771  1
  Fe  Fe27  1  0.640914  0.765061  0.367636  1
  Fe  Fe28  1  0.074218  0.621965  0.403358  1
  Fe  Fe29  1  0.441955  0.213467  0.382652  1
  Fe  Fe30  1  0.878704  0.069203  0.417833  1
  Fe  Fe31  1  0.643753  0.596949  0.408681  1
  Fe  Fe32  1  0.211850  0.741403  0.373310  1
  Fe  Fe33  1  0.564797  0.953751  0.403619  1
  Fe  Fe34  1  0.131180  0.094433  0.368162  1
  Fe  Fe35  1  0.370659  0.911624  0.373457  1
  Fe  Fe36  1  0.800775  0.765583  0.410668  1
  Fe  Fe37  1  0.642520  0.311983  0.402241  1
  Fe  Fe38  1  0.202729  0.454174  0.367251  1
  Fe  Fe39  1  0.419289  0.510847  0.386642  1
  Fe  Fe40  1  0.855400  0.364844  0.422444  1
  Fe  Fe41  1  0.386427  0.742197  0.416750  1
  Fe  Fe42  1  0.955200  0.879500  0.381927  1
  Fe  Fe43  1  0.716391  0.067781  0.375142  1
  Fe  Fe44  1  0.151619  0.924985  0.410681  1
  Fe  Fe45  1  0.309358  0.380362  0.418962  1
  Fe  Fe46  1  0.877687  0.522657  0.383152  1
  Fe  Fe47  1  0.659085  0.471063  0.361597  1
  Fe  Fe48  1  0.097737  0.324935  0.399272  1
  Fe  Fe49  1  0.175124  0.805201  0.482799  1
  Fe  Fe50  1  0.741456  0.950775  0.447456  1
  Fe  Fe51  1  0.508120  0.479072  0.438635  1
  Fe  Fe52  1  0.941167  0.334641  0.474281  1
  Fe  Fe53  1  0.313477  0.925690  0.453251  1
  Fe  Fe54  1  0.746645  0.782435  0.488806  1
  Fe  Fe55  1  0.512899  0.312066  0.480190  1
  Fe  Fe56  1  0.078329  0.457180  0.444707  1
  Fe  Fe57  1  0.435037  0.661474  0.475386  1
  Fe  Fe58  1  0.000281  0.808559  0.439472  1
  Fe  Fe59  1  0.240286  0.625079  0.445647  1
  Fe  Fe60  1  0.674066  0.482262  0.481067  1
  Fe  Fe61  1  0.512963  0.024929  0.472966  1
  Fe  Fe62  1  0.074983  0.168483  0.437697  1
  Fe  Fe63  1  0.290378  0.220162  0.458528  1
  Fe  Fe64  1  0.723097  0.076226  0.494177  1
  Fe  Fe65  1  0.252270  0.456552  0.487503  1
  Fe  Fe66  1  0.820969  0.596366  0.452760  1
  Fe  Fe67  1  0.581274  0.779504  0.446183  1
  Fe  Fe68  1  0.014238  0.635995  0.481833  1
  Fe  Fe69  1  0.176062  0.092463  0.489925  1
  Fe  Fe70  1  0.741873  0.237172  0.454362  1
  Fe  Fe71  1  0.533057  0.182511  0.434129  1
  Fe  Fe72  1  0.966440  0.038969  0.469623  1
  Fe  Fe73  1  0.042057  0.516147  0.553814  1
  Fe  Fe74  1  0.607487  0.661260  0.518331  1
  Fe  Fe75  1  0.373742  0.190891  0.509715  1
  Fe  Fe76  1  0.806910  0.047636  0.545270  1
  Fe  Fe77  1  0.179220  0.638685  0.524240  1
  Fe  Fe78  1  0.612266  0.494254  0.559885  1
  Fe  Fe79  1  0.378931  0.022551  0.551065  1
  Fe  Fe80  1  0.945263  0.168125  0.515721  1
  Fe  Fe81  1  0.299417  0.376960  0.545761  1
  Fe  Fe82  1  0.868116  0.516774  0.511018  1
  Fe  Fe83  1  0.106149  0.337331  0.516688  1
  Fe  Fe84  1  0.539113  0.193822  0.552338  1
  Fe  Fe85  1  0.378514  0.736154  0.544159  1
  Fe  Fe86  1  0.944325  0.880864  0.508596  1
  Fe  Fe87  1  0.153946  0.934358  0.528898  1
  Fe  Fe88  1  0.587329  0.790815  0.564392  1
  Fe  Fe89  1  0.120106  0.164767  0.559049  1
  Fe  Fe90  1  0.685349  0.311852  0.523135  1
  Fe  Fe91  1  0.446320  0.491064  0.517454  1
  Fe  Fe92  1  0.880101  0.348247  0.552874  1
  Fe  Fe93  1  0.045404  0.804843  0.560824  1
  Fe  Fe94  1  0.607423  0.948397  0.525555  1
  Fe  Fe95  1  0.397289  0.897100  0.504344  1
  Fe  Fe96  1  0.830008  0.753164  0.539993  1
  Fe  Fe97  1  0.908536  0.231923  0.625211  1
  Fe  Fe98  1  0.476634  0.376377  0.589840  1
  Fe  Fe99  1  0.241682  0.904123  0.580688  1
  Fe  Fe100  1  0.678431  0.759859  0.615868  1
  Fe  Fe101  1  0.046169  0.351361  0.595163  1
  Fe  Fe102  1  0.479473  0.208265  0.630885  1
  Fe  Fe103  1  0.246395  0.736846  0.621750  1
  Fe  Fe104  1  0.812078  0.881386  0.586214  1
  Fe  Fe105  1  0.165186  0.093826  0.616594  1
  Fe  Fe106  1  0.733959  0.231129  0.581770  1
  Fe  Fe107  1  0.968767  0.048341  0.587839  1
  Fe  Fe108  1  0.403995  0.905545  0.623378  1
  Fe  Fe109  1  0.242699  0.450670  0.615369  1
  Fe  Fe110  1  0.811028  0.592964  0.579559  1
  Fe  Fe111  1  0.022649  0.648391  0.599249  1
  Fe  Fe112  1  0.461301  0.502263  0.636924  1
  Fe  Fe113  1  0.989206  0.878894  0.630359  1
  Fe  Fe114  1  0.555590  0.019575  0.594901  1
  Fe  Fe115  1  0.319612  0.207743  0.587853  1
  Fe  Fe116  1  0.749728  0.061702  0.625064  1
  Fe  Fe117  1  0.917658  0.519152  0.631270  1
  Fe  Fe118  1  0.477867  0.661343  0.596280  1
  Fe  Fe119  1  0.264986  0.608482  0.576077  1
  Fe  Fe120  1  0.701098  0.462480  0.611879  1
  Fe  Fe121  1  0.783623  0.943503  0.696940  1
  Fe  Fe122  1  0.344303  0.094094  0.660547  1
  Fe  Fe123  1  0.113793  0.617682  0.651397  1
  Fe  Fe124  1  0.551814  0.491688  0.688840  1
  Fe  Fe125  1  0.914286  0.066590  0.666580  1
  Fe  Fe126  1  0.355437  0.920191  0.703218  1
  Fe  Fe127  1  0.109641  0.465993  0.694727  1
  Fe  Fe128  1  0.682661  0.595161  0.656381  1
  Fe  Fe129  1  0.040186  0.810141  0.686743  1
  Fe  Fe130  1  0.601459  0.949914  0.652038  1
  Fe  Fe131  1  0.837960  0.763496  0.658185  1
  Fe  Fe132  1  0.281749  0.623990  0.694142  1
  Fe  Fe133  1  0.092719  0.164069  0.687700  1
  Fe  Fe134  1  0.672958  0.306583  0.651739  1
  Fe  Fe135  1  0.890932  0.365631  0.670227  1
  Fe  Fe136  1  0.324786  0.223334  0.706009  1
  Fe  Fe137  1  0.861742  0.605042  0.700777  1
  Fe  Fe138  1  0.424732  0.739560  0.665027  1
  Fe  Fe139  1  0.189285  0.924177  0.658691  1
  Fe  Fe140  1  0.618573  0.783802  0.692996  1
  Fe  Fe141  1  0.778747  0.240879  0.703291  1
  Fe  Fe142  1  0.344152  0.375283  0.666054  1
  Fe  Fe143  1  0.138819  0.317042  0.648976  1
  Fe  Fe144  1  0.581571  0.167825  0.685692  1
  C  C145  1  0.713185  0.563334  0.296876  1
  C  C146  1  0.148386  0.418213  0.329216  1
  C  C147  1  0.387419  0.901482  0.334530  1
  C  C148  1  0.945574  0.043547  0.300882  1
  C  C149  1  0.825987  0.359763  0.343331  1
  C  C150  1  0.384980  0.499571  0.308708  1
  C  C151  1  0.630949  0.983400  0.315211  1
  C  C152  1  0.066087  0.842424  0.350468  1
  C  C153  1  0.583923  0.276909  0.364777  1
  C  C154  1  0.019448  0.132798  0.399484  1
  C  C155  1  0.255080  0.615672  0.406710  1
  C  C156  1  0.821582  0.759728  0.371831  1
  C  C157  1  0.697660  0.075744  0.414014  1
  C  C158  1  0.261046  0.218508  0.379132  1
  C  C159  1  0.499488  0.701141  0.385649  1
  C  C160  1  0.933505  0.557173  0.421555  1
  C  C161  1  0.453885  0.991229  0.435072  1
  C  C162  1  0.886332  0.848570  0.470447  1
  C  C163  1  0.122376  0.328021  0.477771  1
  C  C164  1  0.689309  0.472671  0.442133  1
  C  C165  1  0.565474  0.789287  0.485108  1
  C  C166  1  0.132282  0.932643  0.449547  1
  C  C167  1  0.368567  0.412212  0.456931  1
  C  C168  1  0.801025  0.268476  0.492453  1
  C  C169  1  0.319362  0.704851  0.506068  1
  C  C170  1  0.751819  0.561114  0.541590  1
  C  C171  1  0.988105  0.040683  0.548974  1
  C  C172  1  0.554912  0.184040  0.513413  1
  C  C173  1  0.431077  0.500655  0.556388  1
  C  C174  1  0.998011  0.645305  0.520750  1
  C  C175  1  0.234054  0.124756  0.528074  1
  C  C176  1  0.666501  0.982097  0.563449  1
  C  C177  1  0.186882  0.416153  0.576966  1
  C  C178  1  0.620898  0.272185  0.612872  1
  C  C179  1  0.859341  0.754819  0.619389  1
  C  C180  1  0.422726  0.897582  0.584507  1
  C  C181  1  0.298804  0.213598  0.626690  1
  C  C182  1  0.865306  0.357654  0.591811  1
  C  C183  1  0.100939  0.840528  0.599037  1
  C  C184  1  0.536463  0.696417  0.633744  1
  C  C185  1  0.054299  0.130902  0.648053  1
  C  C186  1  0.489438  0.989926  0.683310  1
  C  C187  1  0.735407  0.473755  0.689813  1
  C  C188  1  0.294399  0.613563  0.655190  1
  C  C189  1  0.174812  0.929779  0.697639  1
  C  C190  1  0.732967  0.071844  0.663991  1
  C  C191  1  0.972001  0.555113  0.669305  1
  C  C192  1  0.407201  0.409992  0.701645  1
