# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57550647
_cell_length_b   19.55834711
_cell_length_c   48.22442460
_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   'Fe144 C48'
_cell_volume   4315.57211007
_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  0.506847  0.084577  0.304872  1
  Fe  Fe2  1  0.504414  0.692517  0.324195  1
  Fe  Fe3  1  0.502946  0.481984  0.287417  1
  Fe  Fe4  1  1.003065  0.279605  0.284887  1
  Fe  Fe5  1  0.005809  0.885533  0.302720  1
  Fe  Fe6  1  0.003824  0.491010  0.320975  1
  Fe  Fe7  1  0.023642  0.149259  0.289950  1
  Fe  Fe8  1  0.014979  0.751572  0.307285  1
  Fe  Fe9  1  0.007083  0.354800  0.325772  1
  Fe  Fe10  1  0.519787  0.349179  0.295771  1
  Fe  Fe11  1  0.506366  0.952749  0.314401  1
  Fe  Fe12  1  0.524408  0.743960  0.277890  1
  Fe  Fe13  1  0.484082  0.220209  0.301624  1
  Fe  Fe14  1  0.503866  0.827739  0.320526  1
  Fe  Fe15  1  0.484282  0.614540  0.283551  1
  Fe  Fe16  1  0.990763  0.230441  0.332002  1
  Fe  Fe17  1  0.987541  0.019867  0.294840  1
  Fe  Fe18  1  1.002666  0.627167  0.312436  1
  Fe  Fe19  1  0.504075  0.902739  0.360919  1
  Fe  Fe20  1  0.501530  0.507945  0.379526  1
  Fe  Fe21  1  0.501589  0.297227  0.342580  1
  Fe  Fe22  1  1.000803  0.096760  0.339492  1
  Fe  Fe23  1  0.005764  0.701845  0.358778  1
  Fe  Fe24  1  1.001253  0.307111  0.376858  1
  Fe  Fe25  1  1.001065  0.959986  0.343271  1
  Fe  Fe26  1  1.002584  0.565766  0.362034  1
  Fe  Fe27  1  1.000200  0.170652  0.380505  1
  Fe  Fe28  1  0.500448  0.161822  0.351901  1
  Fe  Fe29  1  0.504663  0.768089  0.370159  1
  Fe  Fe30  1  0.502874  0.557190  0.332889  1
  Fe  Fe31  1  0.500327  0.038160  0.357420  1
  Fe  Fe32  1  0.503072  0.644187  0.375943  1
  Fe  Fe33  1  0.501371  0.433592  0.338629  1
  Fe  Fe34  1  0.004727  0.047234  0.386349  1
  Fe  Fe35  1  0.008655  0.836788  0.349160  1
  Fe  Fe36  1  0.003619  0.441767  0.367725  1
  Fe  Fe37  1  0.503318  0.718370  0.416573  1
  Fe  Fe38  1  0.502335  0.323720  0.435170  1
  Fe  Fe39  1  0.504259  0.112945  0.398157  1
  Fe  Fe40  1  1.003156  0.912385  0.395607  1
  Fe  Fe41  1  1.002410  0.517695  0.414141  1
  Fe  Fe42  1  0.003322  0.122923  0.432699  1
  Fe  Fe43  1  0.004931  0.776526  0.399321  1
  Fe  Fe44  1  1.001821  0.381425  0.417703  1
  Fe  Fe45  1  1.002430  0.986675  0.436208  1
  Fe  Fe46  1  0.505289  0.978906  0.407042  1
  Fe  Fe47  1  0.503854  0.583650  0.425652  1
  Fe  Fe48  1  0.501867  0.372891  0.388862  1
  Fe  Fe49  1  0.504178  0.854785  0.412990  1
  Fe  Fe50  1  0.501434  0.459587  0.431412  1
  Fe  Fe51  1  0.502541  0.249338  0.394616  1
  Fe  Fe52  1  0.004135  0.862793  0.442033  1
  Fe  Fe53  1  0.003629  0.652132  0.405003  1
  Fe  Fe54  1  0.003487  0.257737  0.423562  1
  Fe  Fe55  1  0.502944  0.534218  0.472165  1
  Fe  Fe56  1  0.502751  0.139375  0.490698  1
  Fe  Fe57  1  0.502865  0.928916  0.453587  1
  Fe  Fe58  1  0.003545  0.728158  0.451138  1
  Fe  Fe59  1  1.002241  0.333453  0.469680  1
  Fe  Fe60  1  1.003003  0.938687  0.488172  1
  Fe  Fe61  1  1.002262  0.592092  0.454714  1
  Fe  Fe62  1  1.002531  0.197226  0.473336  1
  Fe  Fe63  1  1.002936  0.802560  0.491813  1
  Fe  Fe64  1  0.504048  0.794215  0.462792  1
  Fe  Fe65  1  0.503176  0.399529  0.481304  1
  Fe  Fe66  1  0.503535  0.189077  0.444233  1
  Fe  Fe67  1  0.502329  0.670421  0.468598  1
  Fe  Fe68  1  0.502768  0.275636  0.487128  1
  Fe  Fe69  1  0.502311  0.065058  0.450040  1
  Fe  Fe70  1  0.004083  0.678608  0.497610  1
  Fe  Fe71  1  0.003554  0.468187  0.460521  1
  Fe  Fe72  1  0.003720  0.073269  0.479113  1
  Fe  Fe73  1  0.502241  0.349959  0.527765  1
  Fe  Fe74  1  0.503545  0.955254  0.546307  1
  Fe  Fe75  1  0.503003  0.744725  0.509273  1
  Fe  Fe76  1  1.002751  0.544037  0.506747  1
  Fe  Fe77  1  1.002944  0.149194  0.525280  1
  Fe  Fe78  1  1.002865  0.754496  0.543858  1
  Fe  Fe79  1  1.002768  0.407776  0.510316  1
  Fe  Fe80  1  1.002329  0.012991  0.528847  1
  Fe  Fe81  1  1.002311  0.618354  0.547405  1
  Fe  Fe82  1  0.503720  0.610142  0.518332  1
  Fe  Fe83  1  0.503554  0.215225  0.536923  1
  Fe  Fe84  1  0.504083  0.004804  0.499834  1
  Fe  Fe85  1  0.502531  0.486186  0.524108  1
  Fe  Fe86  1  0.502262  0.091319  0.542731  1
  Fe  Fe87  1  0.502936  0.880851  0.505631  1
  Fe  Fe88  1  0.003535  0.494335  0.553212  1
  Fe  Fe89  1  1.003176  0.283883  0.516141  1
  Fe  Fe90  1  0.004048  0.889196  0.534653  1
  Fe  Fe91  1  0.502410  0.165717  0.583304  1
  Fe  Fe92  1  0.503156  0.771027  0.601838  1
  Fe  Fe93  1  0.503322  0.560488  0.564746  1
  Fe  Fe94  1  1.002335  0.359691  0.562275  1
  Fe  Fe95  1  0.003318  0.965042  0.580872  1
  Fe  Fe96  1  0.004259  0.570467  0.599288  1
  Fe  Fe97  1  1.001434  0.223824  0.566033  1
  Fe  Fe98  1  0.004178  0.828627  0.584454  1
  Fe  Fe99  1  1.002541  0.434074  0.602829  1
  Fe  Fe100  1  0.503487  0.425674  0.573883  1
  Fe  Fe101  1  0.503629  0.031279  0.592442  1
  Fe  Fe102  1  0.504135  0.820618  0.555412  1
  Fe  Fe103  1  0.501821  0.301987  0.579741  1
  Fe  Fe104  1  0.504931  0.906886  0.598124  1
  Fe  Fe105  1  0.502430  0.696736  0.561237  1
  Fe  Fe106  1  1.001867  0.310521  0.608582  1
  Fe  Fe107  1  0.003854  0.099761  0.571793  1
  Fe  Fe108  1  0.005289  0.704505  0.590403  1
  Fe  Fe109  1  0.505764  0.981566  0.638667  1
  Fe  Fe110  1  0.500803  0.586652  0.657953  1
  Fe  Fe111  1  0.501253  0.376301  0.620587  1
  Fe  Fe112  1  1.001530  0.175466  0.617918  1
  Fe  Fe113  1  0.004075  0.780673  0.636526  1
  Fe  Fe114  1  1.001589  0.386185  0.654865  1
  Fe  Fe115  1  1.003072  0.039224  0.621501  1
  Fe  Fe116  1  1.000327  0.645251  0.640025  1
  Fe  Fe117  1  1.001371  0.249820  0.658816  1
  Fe  Fe118  1  0.503619  0.241644  0.629720  1
  Fe  Fe119  1  0.508655  0.846624  0.648285  1
  Fe  Fe120  1  0.504727  0.636178  0.611096  1
  Fe  Fe121  1  0.502584  0.117646  0.635410  1
  Fe  Fe122  1  0.501065  0.723426  0.654174  1
  Fe  Fe123  1  0.500200  0.512760  0.616940  1
  Fe  Fe124  1  1.002874  0.126221  0.664555  1
  Fe  Fe125  1  0.004663  0.915322  0.627286  1
  Fe  Fe126  1  1.000448  0.521590  0.645544  1
  Fe  Fe127  1  0.505809  0.797879  0.694724  1
  Fe  Fe128  1  0.503065  0.403807  0.712558  1
  Fe  Fe129  1  0.503824  0.192401  0.676470  1
  Fe  Fe130  1  0.004414  0.990894  0.673250  1
  Fe  Fe131  1  0.006847  0.598835  0.692573  1
  Fe  Fe132  1  1.002946  0.201427  0.710027  1
  Fe  Fe133  1  0.003866  0.855673  0.676919  1
  Fe  Fe134  1  0.984082  0.463203  0.695820  1
  Fe  Fe135  1  0.984282  0.068872  0.713894  1
  Fe  Fe136  1  0.502666  0.056245  0.685009  1
  Fe  Fe137  1  0.487541  0.663544  0.702605  1
  Fe  Fe138  1  0.490763  0.452971  0.665443  1
  Fe  Fe139  1  0.514979  0.931839  0.690160  1
  Fe  Fe140  1  0.523642  0.534152  0.707495  1
  Fe  Fe141  1  0.507083  0.328612  0.671673  1
  Fe  Fe142  1  0.024408  0.939452  0.719555  1
  Fe  Fe143  1  0.006366  0.730662  0.683043  1
  Fe  Fe144  1  0.019787  0.334233  0.701673  1
  C  C145  1  0.744470  0.157055  0.319546  1
  C  C146  1  0.750931  0.944941  0.282166  1
  C  C147  1  0.754775  0.553019  0.301060  1
  C  C148  1  0.251945  0.025761  0.325699  1
  C  C149  1  0.261235  0.816045  0.288360  1
  C  C150  1  0.252553  0.419710  0.307031  1
  C  C151  1  0.754918  0.973333  0.375088  1
  C  C152  1  0.756745  0.762847  0.338373  1
  C  C153  1  0.749945  0.368291  0.356783  1
  C  C154  1  0.254531  0.841967  0.381385  1
  C  C155  1  0.254110  0.631149  0.344305  1
  C  C156  1  0.252835  0.236230  0.363037  1
  C  C157  1  0.753323  0.789046  0.430805  1
  C  C158  1  0.753020  0.578455  0.393656  1
  C  C159  1  0.753702  0.183827  0.412309  1
  C  C160  1  0.253576  0.657443  0.436940  1
  C  C161  1  0.251432  0.446946  0.399816  1
  C  C162  1  0.252823  0.052203  0.418425  1
  C  C163  1  0.753087  0.604923  0.486352  1
  C  C164  1  0.752610  0.394436  0.449327  1
  C  C165  1  0.752952  0.999574  0.467820  1
  C  C166  1  0.252743  0.473360  0.492514  1
  C  C167  1  0.252828  0.262765  0.455548  1
  C  C168  1  0.253511  0.868021  0.474011  1
  C  C169  1  0.752828  0.420647  0.541897  1
  C  C170  1  0.752743  0.210052  0.504931  1
  C  C171  1  0.753511  0.815391  0.523434  1
  C  C172  1  0.252610  0.288976  0.548117  1
  C  C173  1  0.253087  0.078488  0.511093  1
  C  C174  1  0.252952  0.683837  0.529625  1
  C  C175  1  0.751432  0.236466  0.597628  1
  C  C176  1  0.753576  0.025968  0.560505  1
  C  C177  1  0.752823  0.631208  0.579020  1
  C  C178  1  0.253020  0.104957  0.603789  1
  C  C179  1  0.253323  0.894366  0.566639  1
  C  C180  1  0.253702  0.499585  0.585135  1
  C  C181  1  0.754110  0.052262  0.653139  1
  C  C182  1  0.754531  0.841445  0.616060  1
  C  C183  1  0.752835  0.447182  0.634407  1
  C  C184  1  0.256745  0.920565  0.659071  1
  C  C185  1  0.254918  0.710079  0.622357  1
  C  C186  1  0.249945  0.315120  0.640662  1
  C  C187  1  0.761235  0.867367  0.709085  1
  C  C188  1  0.751945  0.657651  0.671746  1
  C  C189  1  0.752553  0.263702  0.690413  1
  C  C190  1  0.250931  0.738470  0.715278  1
  C  C191  1  0.244470  0.526356  0.677899  1
  C  C192  1  0.254775  0.130393  0.696385  1
