# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68315665
_cell_length_b   14.78466205
_cell_length_c   49.00490426
_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   'Fe120 C40'
_cell_volume   3393.04510011
_cell_formula_units_Z   40
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  0.193054  0.063835  0.310965  1
  Fe  Fe2  1  0.194319  0.592360  0.268148  1
  Fe  Fe3  1  0.670445  0.935937  0.283708  1
  Fe  Fe4  1  0.676165  0.388657  0.329210  1
  Fe  Fe5  1  0.397919  0.782968  0.341199  1
  Fe  Fe6  1  0.396409  0.337387  0.295337  1
  Fe  Fe7  1  0.442392  0.761602  0.286164  1
  Fe  Fe8  1  0.456951  0.211196  0.331311  1
  Fe  Fe9  1  0.727741  0.090462  0.292919  1
  Fe  Fe10  1  0.702337  0.537773  0.337909  1
  Fe  Fe11  1  0.201929  0.912077  0.303357  1
  Fe  Fe12  1  0.205595  0.362456  0.348733  1
  Fe  Fe13  1  0.977774  0.789000  0.266702  1
  Fe  Fe14  1  0.958901  0.238920  0.309715  1
  Fe  Fe15  1  0.921097  0.802571  0.321127  1
  Fe  Fe16  1  0.898086  0.354251  0.276232  1
  Fe  Fe17  1  0.422250  0.646712  0.320051  1
  Fe  Fe18  1  0.445822  0.201828  0.275455  1
  Fe  Fe19  1  0.657897  0.960023  0.331859  1
  Fe  Fe20  1  0.649097  0.511302  0.287048  1
  Fe  Fe21  1  0.904277  0.665308  0.300333  1
  Fe  Fe22  1  0.910566  0.116559  0.345213  1
  Fe  Fe23  1  0.157199  0.939853  0.354431  1
  Fe  Fe24  1  0.152962  0.490432  0.309619  1
  Fe  Fe25  1  0.183620  0.962852  0.402538  1
  Fe  Fe26  1  0.179794  0.511784  0.357517  1
  Fe  Fe27  1  0.679577  0.837765  0.375064  1
  Fe  Fe28  1  0.681806  0.287459  0.420326  1
  Fe  Fe29  1  0.400499  0.683682  0.432002  1
  Fe  Fe30  1  0.400988  0.234588  0.386269  1
  Fe  Fe31  1  0.449210  0.661018  0.377245  1
  Fe  Fe32  1  0.452226  0.110919  0.422341  1
  Fe  Fe33  1  0.710151  -0.011834  0.383404  1
  Fe  Fe34  1  0.705635  0.437031  0.428862  1
  Fe  Fe35  1  0.205224  0.812421  0.394388  1
  Fe  Fe36  1  0.207175  0.261771  0.439670  1
  Fe  Fe37  1  0.948270  0.689523  0.355629  1
  Fe  Fe38  1  0.952574  0.138710  0.400450  1
  Fe  Fe39  1  0.924379  0.702036  0.411933  1
  Fe  Fe40  1  0.924862  0.252477  0.366339  1
  Fe  Fe41  1  0.424850  0.547355  0.411414  1
  Fe  Fe42  1  0.429805  0.097774  0.365586  1
  Fe  Fe43  1  0.656559  0.860180  0.423105  1
  Fe  Fe44  1  0.656646  0.410495  0.377453  1
  Fe  Fe45  1  0.898373  0.565324  0.391514  1
  Fe  Fe46  1  0.902857  0.015470  0.436555  1
  Fe  Fe47  1  0.156164  0.839169  0.445575  1
  Fe  Fe48  1  0.156512  0.389494  0.400169  1
  Fe  Fe49  1  0.181886  0.861727  0.493569  1
  Fe  Fe50  1  0.181664  0.411394  0.448267  1
  Fe  Fe51  1  0.681457  0.737117  0.465968  1
  Fe  Fe52  1  0.682068  0.186555  0.511345  1
  Fe  Fe53  1  0.401641  0.583019  0.522856  1
  Fe  Fe54  1  0.401472  0.133822  0.477291  1
  Fe  Fe55  1  0.451069  0.560283  0.468020  1
  Fe  Fe56  1  0.451247  0.010054  0.513372  1
  Fe  Fe57  1  0.707214  0.887307  0.474323  1
  Fe  Fe58  1  0.706713  0.336344  0.519807  1
  Fe  Fe59  1  0.206687  0.711533  0.485258  1
  Fe  Fe60  1  0.206478  0.161128  0.530668  1
  Fe  Fe61  1  0.951307  0.588457  0.446226  1
  Fe  Fe62  1  0.951062  0.038161  0.491551  1
  Fe  Fe63  1  0.925905  0.601195  0.502784  1
  Fe  Fe64  1  0.926502  0.151865  0.457256  1
  Fe  Fe65  1  0.426043  0.446593  0.502290  1
  Fe  Fe66  1  0.426602  -0.002789  0.456681  1
  Fe  Fe67  1  0.656429  0.759370  0.513984  1
  Fe  Fe68  1  0.657278  0.309653  0.468453  1
  Fe  Fe69  1  0.900911  0.464597  0.482291  1
  Fe  Fe70  1  0.901171  0.914612  0.527581  1
  Fe  Fe71  1  0.156117  0.738489  0.536499  1
  Fe  Fe72  1  0.157649  0.288745  0.491050  1
  Fe  Fe73  1  0.182270  0.760731  0.584460  1
  Fe  Fe74  1  0.181854  0.310836  0.539206  1
  Fe  Fe75  1  0.682659  0.636454  0.556832  1
  Fe  Fe76  1  0.680719  0.085635  0.602356  1
  Fe  Fe77  1  0.405971  0.481940  0.613760  1
  Fe  Fe78  1  0.400001  0.032951  0.568250  1
  Fe  Fe79  1  0.452043  0.459579  0.558865  1
  Fe  Fe80  1  0.450057  0.908958  0.604422  1
  Fe  Fe81  1  0.706523  0.786447  0.565283  1
  Fe  Fe82  1  0.705121  0.235794  0.610881  1
  Fe  Fe83  1  0.208935  0.610559  0.576071  1
  Fe  Fe84  1  0.201762  0.060707  0.621718  1
  Fe  Fe85  1  0.952245  0.487666  0.537104  1
  Fe  Fe86  1  0.949234  0.937332  0.582484  1
  Fe  Fe87  1  0.928192  0.500182  0.593614  1
  Fe  Fe88  1  0.925637  0.051034  0.548159  1
  Fe  Fe89  1  0.424421  0.345799  0.593147  1
  Fe  Fe90  1  0.425869  0.896355  0.547681  1
  Fe  Fe91  1  0.657795  0.658458  0.604888  1
  Fe  Fe92  1  0.656749  0.208841  0.559450  1
  Fe  Fe93  1  0.901302  0.363409  0.573256  1
  Fe  Fe94  1  0.901764  0.813557  0.618463  1
  Fe  Fe95  1  0.156849  0.637509  0.627222  1
  Fe  Fe96  1  0.157941  0.187757  0.582065  1
  Fe  Fe97  1  0.189513  0.659500  0.675000  1
  Fe  Fe98  1  0.174997  0.209572  0.630440  1
  Fe  Fe99  1  0.687562  0.536732  0.647547  1
  Fe  Fe100  1  0.673846  0.977555  0.693547  1
  Fe  Fe101  1  0.423397  0.397407  0.707700  1
  Fe  Fe102  1  0.393483  0.931178  0.658867  1
  Fe  Fe103  1  0.455938  0.359742  0.649989  1
  Fe  Fe104  1  0.452337  0.806761  0.695223  1
  Fe  Fe105  1  0.708405  0.685808  0.656461  1
  Fe  Fe106  1  0.698630  0.130812  0.700403  1
  Fe  Fe107  1  0.220072  0.509153  0.666547  1
  Fe  Fe108  1  0.185627  0.942557  0.712205  1
  Fe  Fe109  1  0.953285  0.386590  0.628180  1
  Fe  Fe110  1  0.941436  0.835685  0.673078  1
  Fe  Fe111  1  0.938772  0.399290  0.684747  1
  Fe  Fe112  1  0.920222  0.949702  0.638705  1
  Fe  Fe113  1  0.406544  0.248854  0.683542  1
  Fe  Fe114  1  0.428231  0.794928  0.638748  1
  Fe  Fe115  1  0.675457  0.557556  0.695894  1
  Fe  Fe116  1  0.653094  0.108576  0.650288  1
  Fe  Fe117  1  0.894557  0.261880  0.664317  1
  Fe  Fe118  1  0.905288  0.714269  0.709398  1
  Fe  Fe119  1  0.138206  0.537074  0.716247  1
  Fe  Fe120  1  0.166372  0.085019  0.675195  1
  C  C121  1  0.058797  0.596916  0.330235  1
  C  C122  1  0.079758  0.149787  0.283607  1
  C  C123  1  0.553422  0.085177  0.328383  1
  C  C124  1  0.548312  0.636507  0.282850  1
  C  C125  1  0.556570  0.852935  0.311836  1
  C  C126  1  0.541817  0.408132  0.265513  1
  C  C127  1  1.038800  0.917531  0.267398  1
  C  C128  1  1.040485  0.365887  0.312846  1
  C  C129  1  0.061543  0.495936  0.420779  1
  C  C130  1  0.065159  0.046928  0.374850  1
  C  C131  1  0.546875  -0.015191  0.419372  1
  C  C132  1  0.543574  0.534939  0.374061  1
  C  C133  1  0.560604  0.753471  0.402669  1
  C  C134  1  0.561990  0.303943  0.356881  1
  C  C135  1  1.043565  0.815633  0.358354  1
  C  C136  1  1.045624  0.264885  0.403632  1
  C  C137  1  0.062489  0.395207  0.511639  1
  C  C138  1  0.062704  0.946123  0.466001  1
  C  C139  1  0.545455  0.883922  0.510352  1
  C  C140  1  0.545506  0.434176  0.464959  1
  C  C141  1  0.562190  0.652603  0.493499  1
  C  C142  1  0.563003  0.203033  0.447900  1
  C  C143  1  1.044989  0.714636  0.449225  1
  C  C144  1  1.045889  0.164240  0.494590  1
  C  C145  1  0.061773  0.294077  0.602675  1
  C  C146  1  0.062020  0.845283  0.556978  1
  C  C147  1  0.545482  0.782923  0.601339  1
  C  C148  1  0.545816  0.333408  0.555873  1
  C  C149  1  0.564514  0.551724  0.584347  1
  C  C150  1  0.562057  0.102246  0.538904  1
  C  C151  1  1.046062  0.613839  0.540088  1
  C  C152  1  1.044265  0.063399  0.585515  1
  C  C153  1  1.052339  0.193201  0.694009  1
  C  C154  1  0.063681  0.744189  0.647793  1
  C  C155  1  0.549766  0.680795  0.692600  1
  C  C156  1  0.539233  0.232898  0.646744  1
  C  C157  1  0.576717  0.451607  0.675221  1
  C  C158  1  0.557322  0.001750  0.629900  1
  C  C159  1  1.049729  0.512631  0.630883  1
  C  C160  1  1.037642  0.961649  0.676099  1
