# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79295845
_cell_length_b   10.53193606
_cell_length_c   49.54329803
_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   3544.47637099
_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  0.086398  0.010924  0.355959  1
  Fe  Fe2  1  0.085024  0.408903  0.312959  1
  Fe  Fe3  1  0.409934  0.458649  0.361674  1
  Fe  Fe4  1  0.414195  0.859943  0.318570  1
  Fe  Fe5  1  0.584757  0.206042  0.311807  1
  Fe  Fe6  1  0.586354  0.803659  0.355186  1
  Fe  Fe7  1  0.753853  0.992065  0.332838  1
  Fe  Fe8  1  0.759914  0.425354  0.293044  1
  Fe  Fe9  1  0.078721  0.431414  0.361960  1
  Fe  Fe10  1  0.074798  0.830321  0.317649  1
  Fe  Fe11  1  0.418078  0.028546  0.351294  1
  Fe  Fe12  1  0.420418  0.422749  0.307694  1
  Fe  Fe13  1  0.742368  0.383200  0.343623  1
  Fe  Fe14  1  0.740048  0.779242  0.302365  1
  Fe  Fe15  1  0.586309  0.201482  0.364325  1
  Fe  Fe16  1  0.580062  0.599093  0.321298  1
  Fe  Fe17  1  0.918800  0.177055  0.311542  1
  Fe  Fe18  1  0.909358  0.776268  0.355818  1
  Fe  Fe19  1  0.251629  0.095714  0.307894  1
  Fe  Fe20  1  0.249864  0.698021  0.350413  1
  Fe  Fe21  1  0.904279  0.976142  0.283453  1
  Fe  Fe22  1  0.906186  0.582188  0.326041  1
  Fe  Fe23  1  0.244711  0.227086  0.347497  1
  Fe  Fe24  1  0.241692  0.628340  0.305142  1
  Fe  Fe25  1  0.086581  0.212799  0.441402  1
  Fe  Fe26  1  0.086480  0.612038  0.398715  1
  Fe  Fe27  1  0.409753  0.659203  0.447458  1
  Fe  Fe28  1  0.409402  0.058102  0.404598  1
  Fe  Fe29  1  0.584755  0.403256  0.398233  1
  Fe  Fe30  1  0.586446  0.003778  0.440961  1
  Fe  Fe31  1  0.752726  0.188921  0.417724  1
  Fe  Fe32  1  0.752764  0.589187  0.374910  1
  Fe  Fe33  1  0.080595  0.632618  0.447863  1
  Fe  Fe34  1  0.080331  0.032204  0.405100  1
  Fe  Fe35  1  0.415496  0.230517  0.437345  1
  Fe  Fe36  1  0.415717  0.630303  0.394650  1
  Fe  Fe37  1  0.743148  0.584425  0.429107  1
  Fe  Fe38  1  0.742511  0.983582  0.386229  1
  Fe  Fe39  1  0.589106  0.402005  0.449742  1
  Fe  Fe40  1  0.587150  0.802650  0.407078  1
  Fe  Fe41  1  0.906826  0.376366  0.398891  1
  Fe  Fe42  1  0.907730  0.976968  0.441789  1
  Fe  Fe43  1  0.250255  0.298089  0.393377  1
  Fe  Fe44  1  0.251246  0.897914  0.436310  1
  Fe  Fe45  1  0.908826  0.181490  0.368476  1
  Fe  Fe46  1  0.909560  0.782533  0.411262  1
  Fe  Fe47  1  0.245482  0.428055  0.433205  1
  Fe  Fe48  1  0.245336  0.827616  0.390494  1
  Fe  Fe49  1  0.082256  0.414157  0.527343  1
  Fe  Fe50  1  0.085659  0.812263  0.484286  1
  Fe  Fe51  1  0.416361  0.862650  0.533689  1
  Fe  Fe52  1  0.410752  0.260641  0.489841  1
  Fe  Fe53  1  0.585744  0.606092  0.484257  1
  Fe  Fe54  1  0.588923  0.208054  0.526439  1
  Fe  Fe55  1  0.753235  0.391621  0.503325  1
  Fe  Fe56  1  0.753616  0.789350  0.460802  1
  Fe  Fe57  1  0.084415  0.833780  0.534255  1
  Fe  Fe58  1  0.081436  0.234168  0.490454  1
  Fe  Fe59  1  0.413602  0.433348  0.522524  1
  Fe  Fe60  1  0.416060  0.831076  0.480222  1
  Fe  Fe61  1  0.743929  0.786474  0.515697  1
  Fe  Fe62  1  0.743860  0.185060  0.471795  1
  Fe  Fe63  1  0.588372  0.605082  0.535797  1
  Fe  Fe64  1  0.588540  0.003544  0.492767  1
  Fe  Fe65  1  0.908767  0.578812  0.484893  1
  Fe  Fe66  1  0.912264  0.178639  0.527450  1
  Fe  Fe67  1  0.250979  0.500692  0.479228  1
  Fe  Fe68  1  0.252003  0.099996  0.521844  1
  Fe  Fe69  1  0.911637  0.383666  0.454118  1
  Fe  Fe70  1  0.909842  0.983727  0.496596  1
  Fe  Fe71  1  0.246836  0.630562  0.519129  1
  Fe  Fe72  1  0.246320  0.028689  0.476005  1
  Fe  Fe73  1  0.070874  0.631047  0.613953  1
  Fe  Fe74  1  0.078207  0.016648  0.569840  1
  Fe  Fe75  1  0.425754  0.084363  0.618636  1
  Fe  Fe76  1  0.418903  0.467491  0.574857  1
  Fe  Fe77  1  0.584954  0.815175  0.571658  1
  Fe  Fe78  1  0.579895  0.434513  0.619250  1
  Fe  Fe79  1  0.755322  0.582843  0.590431  1
  Fe  Fe80  1  0.755935  0.998367  0.546791  1
  Fe  Fe81  1  0.078201  0.051080  0.620243  1
  Fe  Fe82  1  0.080443  0.434589  0.576783  1
  Fe  Fe83  1  0.414423  0.651642  0.608606  1
  Fe  Fe84  1  0.409724  0.037827  0.565368  1
  Fe  Fe85  1  0.741081  0.012441  0.598272  1
  Fe  Fe86  1  0.741715  0.392363  0.555294  1
  Fe  Fe87  1  0.576312  0.847318  0.626947  1
  Fe  Fe88  1  0.581736  0.218297  0.580391  1
  Fe  Fe89  1  0.921682  0.783558  0.572644  1
  Fe  Fe90  1  0.925932  0.401615  0.620596  1
  Fe  Fe91  1  0.254651  0.689194  0.564170  1
  Fe  Fe92  1  0.254739  0.297765  0.607012  1
  Fe  Fe93  1  0.913771  0.586400  0.540342  1
  Fe  Fe94  1  0.918754  0.204555  0.586208  1
  Fe  Fe95  1  0.241150  0.845823  0.599788  1
  Fe  Fe96  1  0.244155  0.232290  0.560318  1
  Fe  Fe97  1  0.061212  0.879309  0.705632  1
  Fe  Fe98  1  0.070652  0.256536  0.659822  1
  Fe  Fe99  1  0.424465  0.333287  0.710861  1
  Fe  Fe100  1  0.424842  0.708687  0.665302  1
  Fe  Fe101  1  0.578525  0.059233  0.664679  1
  Fe  Fe102  1  0.553973  0.686396  0.711494  1
  Fe  Fe103  1  0.755524  0.817177  0.679517  1
  Fe  Fe104  1  0.754893  0.200913  0.635374  1
  Fe  Fe105  1  0.081702  0.301716  0.710919  1
  Fe  Fe106  1  0.079948  0.675454  0.666735  1
  Fe  Fe107  1  0.414561  0.902263  0.700042  1
  Fe  Fe108  1  0.420271  0.275694  0.653442  1
  Fe  Fe109  1  0.739632  0.264048  0.688531  1
  Fe  Fe110  1  0.739314  0.637233  0.643508  1
  Fe  Fe111  1  0.570995  0.099742  0.717895  1
  Fe  Fe112  1  0.572170  0.476197  0.672860  1
  Fe  Fe113  1  0.922459  0.024900  0.666139  1
  Fe  Fe114  1  0.921302  0.649701  0.711491  1
  Fe  Fe115  1  0.255110  0.915659  0.650926  1
  Fe  Fe116  1  0.256087  0.532682  0.696743  1
  Fe  Fe117  1  0.914723  0.829309  0.632013  1
  Fe  Fe118  1  0.916755  0.456067  0.678437  1
  Fe  Fe119  1  0.238574  0.097441  0.688547  1
  Fe  Fe120  1  0.239489  0.469974  0.643973  1
  C  C121  1  0.987316  0.293601  0.339849  1
  C  C122  1  0.982669  0.689414  0.296474  1
  C  C123  1  0.015296  0.008623  0.318439  1
  C  C124  1  0.015706  0.609170  0.361188  1
  C  C125  1  0.511140  0.030374  0.314656  1
  C  C126  1  0.506112  0.629222  0.357901  1
  C  C127  1  0.479889  0.319301  0.338574  1
  C  C128  1  0.477564  0.718677  0.295612  1
  C  C129  1  0.989117  0.495892  0.425459  1
  C  C130  1  0.988726  0.895223  0.382774  1
  C  C131  1  0.015215  0.209545  0.403896  1
  C  C132  1  0.015441  0.809939  0.446732  1
  C  C133  1  0.506249  0.228395  0.400614  1
  C  C134  1  0.507781  0.829035  0.443534  1
  C  C135  1  0.480546  0.520384  0.424274  1
  C  C136  1  0.479804  0.919822  0.381249  1
  C  C137  1  0.990135  0.698647  0.511638  1
  C  C138  1  0.990106  0.096747  0.468227  1
  C  C139  1  0.016196  0.411571  0.489641  1
  C  C140  1  0.016930  0.010539  0.532013  1
  C  C141  1  0.507705  0.430982  0.485961  1
  C  C142  1  0.509944  0.033422  0.529136  1
  C  C143  1  0.481331  0.723575  0.510229  1
  C  C144  1  0.481353  0.120763  0.466952  1
  C  C145  1  0.978580  0.913441  0.598744  1
  C  C146  1  0.984826  0.299249  0.554324  1
  C  C147  1  0.014506  0.611906  0.576160  1
  C  C148  1  0.017347  0.229037  0.622186  1
  C  C149  1  0.518757  0.637855  0.572686  1
  C  C150  1  0.519675  0.256463  0.617358  1
  C  C151  1  0.481826  0.939993  0.596176  1
  C  C152  1  0.479883  0.324842  0.552181  1
  C  C153  1  0.974782  0.162970  0.690427  1
  C  C154  1  0.977904  0.539449  0.644987  1
  C  C155  1  0.019031  0.853491  0.667678  1
  C  C156  1  0.018122  0.478731  0.714321  1
  C  C157  1  0.515849  0.881407  0.664110  1
  C  C158  1  0.517660  0.505541  0.710397  1
  C  C159  1  0.478904  0.193429  0.687108  1
  C  C160  1  0.478095  0.567441  0.641865  1
