# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40825223
_cell_length_b   13.85954538
_cell_length_c   49.87263390
_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   3047.03698352
_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  0.085538  0.664700  0.354487  1
  Fe  Fe2  1  0.085504  0.226065  0.309520  1
  Fe  Fe3  1  0.460841  0.943628  0.331605  1
  Fe  Fe4  1  0.460213  0.504564  0.285448  1
  Fe  Fe5  1  0.586238  0.677338  0.342156  1
  Fe  Fe6  1  0.583050  0.228280  0.295935  1
  Fe  Fe7  1  0.959681  0.958773  0.319278  1
  Fe  Fe8  1  0.956264  0.493701  0.271571  1
  Fe  Fe9  1  0.269178  0.797791  0.318884  1
  Fe  Fe10  1  0.275729  0.350456  0.274683  1
  Fe  Fe11  1  0.277277  0.920137  0.281294  1
  Fe  Fe12  1  0.283196  0.364778  0.325875  1
  Fe  Fe13  1  0.766626  0.662436  0.287500  1
  Fe  Fe14  1  0.763913  0.105158  0.331867  1
  Fe  Fe15  1  0.808100  0.091966  0.279165  1
  Fe  Fe16  1  0.784033  0.538853  0.324549  1
  Fe  Fe17  1  0.780054  0.825408  0.355361  1
  Fe  Fe18  1  0.780968  0.383614  0.309812  1
  Fe  Fe19  1  0.766795  0.818203  0.301670  1
  Fe  Fe20  1  0.767236  0.260316  0.348442  1
  Fe  Fe21  1  0.282024  0.078486  0.297364  1
  Fe  Fe22  1  0.283210  0.519400  0.341485  1
  Fe  Fe23  1  0.264352  0.641817  0.304134  1
  Fe  Fe24  1  0.265248  0.084812  0.348511  1
  Fe  Fe25  1  0.085530  0.545059  0.445403  1
  Fe  Fe26  1  0.085164  0.104316  0.400124  1
  Fe  Fe27  1  0.461536  0.824899  0.422687  1
  Fe  Fe28  1  0.462614  0.384953  0.376977  1
  Fe  Fe29  1  0.585692  0.560155  0.433089  1
  Fe  Fe30  1  0.585961  0.119667  0.387702  1
  Fe  Fe31  1  0.961489  0.840473  0.410397  1
  Fe  Fe32  1  0.964115  0.400991  0.364822  1
  Fe  Fe33  1  0.266249  0.679441  0.409771  1
  Fe  Fe34  1  0.267731  0.239073  0.364579  1
  Fe  Fe35  1  0.281663  0.804960  0.371229  1
  Fe  Fe36  1  0.282813  0.245255  0.416604  1
  Fe  Fe37  1  0.765409  0.545998  0.378061  1
  Fe  Fe38  1  0.766608  0.985762  0.423615  1
  Fe  Fe39  1  0.780927  0.980053  0.370790  1
  Fe  Fe40  1  0.783024  0.420308  0.416275  1
  Fe  Fe41  1  0.781085  0.706054  0.446259  1
  Fe  Fe42  1  0.782778  0.266136  0.400827  1
  Fe  Fe43  1  0.764965  0.700350  0.393712  1
  Fe  Fe44  1  0.765551  0.140654  0.439140  1
  Fe  Fe45  1  0.280194  0.959174  0.386690  1
  Fe  Fe46  1  0.281258  0.399676  0.432222  1
  Fe  Fe47  1  0.265510  0.524723  0.394048  1
  Fe  Fe48  1  0.265385  0.965058  0.439526  1
  Fe  Fe49  1  0.085201  0.425807  0.536384  1
  Fe  Fe50  1  0.085668  0.985498  0.490923  1
  Fe  Fe51  1  0.461926  0.705722  0.513580  1
  Fe  Fe52  1  0.462004  0.265388  0.468118  1
  Fe  Fe53  1  0.585595  0.441356  0.524073  1
  Fe  Fe54  1  0.585673  1.001022  0.478610  1
  Fe  Fe55  1  0.961932  0.721246  0.501267  1
  Fe  Fe56  1  0.962397  0.280936  0.455806  1
  Fe  Fe57  1  0.266344  0.560166  0.500453  1
  Fe  Fe58  1  0.266695  0.119802  0.455063  1
  Fe  Fe59  1  0.282096  0.685360  0.462152  1
  Fe  Fe60  1  0.282449  0.125873  0.507631  1
  Fe  Fe61  1  0.766292  0.426296  0.469044  1
  Fe  Fe62  1  0.766530  0.866710  0.514469  1
  Fe  Fe63  1  0.781836  0.860883  0.461812  1
  Fe  Fe64  1  0.782237  0.301222  0.507244  1
  Fe  Fe65  1  0.780904  0.586943  0.537127  1
  Fe  Fe66  1  0.781256  0.146578  0.491738  1
  Fe  Fe67  1  0.765151  0.580871  0.484560  1
  Fe  Fe68  1  0.765504  0.021384  0.530039  1
  Fe  Fe69  1  0.281069  0.840034  0.477722  1
  Fe  Fe70  1  0.281309  0.280447  0.523147  1
  Fe  Fe71  1  0.265362  0.405522  0.484947  1
  Fe  Fe72  1  0.265764  0.845861  0.530379  1
  Fe  Fe73  1  0.083481  0.305753  0.627369  1
  Fe  Fe74  1  0.086110  0.866272  0.581794  1
  Fe  Fe75  1  0.461633  0.587077  0.604488  1
  Fe  Fe76  1  0.461907  0.146590  0.559101  1
  Fe  Fe77  1  0.584981  0.321792  0.615213  1
  Fe  Fe78  1  0.586064  0.881845  0.569503  1
  Fe  Fe79  1  0.962429  0.602428  0.592067  1
  Fe  Fe80  1  0.962070  0.161684  0.546788  1
  Fe  Fe81  1  0.264820  0.440608  0.591364  1
  Fe  Fe82  1  0.266515  1.000690  0.545932  1
  Fe  Fe83  1  0.282047  0.566090  0.553050  1
  Fe  Fe84  1  0.282635  0.006394  0.598479  1
  Fe  Fe85  1  0.766341  0.307067  0.559968  1
  Fe  Fe86  1  0.767405  0.747570  0.605500  1
  Fe  Fe87  1  0.782213  0.741686  0.552664  1
  Fe  Fe88  1  0.782089  0.182021  0.598142  1
  Fe  Fe89  1  0.779861  0.467673  0.627612  1
  Fe  Fe90  1  0.781351  0.027303  0.582420  1
  Fe  Fe91  1  0.764786  0.461488  0.575587  1
  Fe  Fe92  1  0.765936  0.901784  0.620962  1
  Fe  Fe93  1  0.280990  0.720982  0.568575  1
  Fe  Fe94  1  0.282191  0.160746  0.614129  1
  Fe  Fe95  1  0.264575  0.286435  0.575916  1
  Fe  Fe96  1  0.266674  0.726691  0.621400  1
  Fe  Fe97  1  0.091339  0.213046  0.720620  1
  Fe  Fe98  1  0.087915  0.747971  0.672913  1
  Fe  Fe99  1  0.464552  0.478459  0.696257  1
  Fe  Fe100  1  0.461362  0.029405  0.650035  1
  Fe  Fe101  1  0.587386  0.202183  0.706743  1
  Fe  Fe102  1  0.586757  0.763116  0.660585  1
  Fe  Fe103  1  0.962115  0.480682  0.682671  1
  Fe  Fe104  1  0.962062  0.042045  0.637704  1
  Fe  Fe105  1  0.266631  0.323128  0.682379  1
  Fe  Fe106  1  0.267548  0.881336  0.636829  1
  Fe  Fe107  1  0.280370  0.446429  0.643749  1
  Fe  Fe108  1  0.280804  0.888541  0.690521  1
  Fe  Fe109  1  0.764387  0.187344  0.650705  1
  Fe  Fe110  1  0.765579  0.628261  0.694828  1
  Fe  Fe111  1  0.782346  0.621931  0.643680  1
  Fe  Fe112  1  0.783247  0.064927  0.688057  1
  Fe  Fe113  1  0.771861  0.356284  0.717508  1
  Fe  Fe114  1  0.778422  0.908952  0.673307  1
  Fe  Fe115  1  0.764404  0.341965  0.666315  1
  Fe  Fe116  1  0.770325  0.786607  0.710896  1
  Fe  Fe117  1  0.283693  0.601585  0.660324  1
  Fe  Fe118  1  0.280976  0.044307  0.704690  1
  Fe  Fe119  1  0.263570  0.167891  0.667641  1
  Fe  Fe120  1  0.239502  0.614778  0.713025  1
  C  C121  1  0.932971  0.709632  0.320632  1
  C  C122  1  0.931306  0.265538  0.275206  1
  C  C123  1  0.611141  0.987520  0.297561  1
  C  C124  1  0.615615  0.429751  0.343107  1
  C  C125  1  0.431526  0.751031  0.285539  1
  C  C126  1  0.434525  0.196093  0.331037  1
  C  C127  1  0.111863  0.915195  0.353288  1
  C  C128  1  0.113202  0.473044  0.307064  1
  C  C129  1  0.934199  0.589659  0.411476  1
  C  C130  1  0.935204  0.149449  0.366214  1
  C  C131  1  0.612683  0.869664  0.388766  1
  C  C132  1  0.613397  0.310012  0.434188  1
  C  C133  1  0.433095  0.635665  0.376304  1
  C  C134  1  0.434780  0.075538  0.421694  1
  C  C135  1  0.112757  0.795920  0.444338  1
  C  C136  1  0.114629  0.355907  0.398737  1
  C  C137  1  0.934391  0.470422  0.502436  1
  C  C138  1  0.934551  0.030116  0.456988  1
  C  C139  1  0.613028  0.750279  0.479639  1
  C  C140  1  0.613374  0.190760  0.525124  1
  C  C141  1  0.434226  0.515984  0.467066  1
  C  C142  1  0.434572  0.956465  0.512552  1
  C  C143  1  0.113047  0.676628  0.535202  1
  C  C144  1  0.113209  0.236323  0.489754  1
  C  C145  1  0.932970  0.350837  0.593453  1
  C  C146  1  0.934843  0.910824  0.547853  1
  C  C147  1  0.612818  0.631205  0.570497  1
  C  C148  1  0.614506  0.071079  0.615886  1
  C  C149  1  0.434202  0.396732  0.558003  1
  C  C150  1  0.434917  0.837080  0.603425  1
  C  C151  1  0.112395  0.557295  0.625977  1
  C  C152  1  0.113401  0.117085  0.580715  1
  C  C153  1  0.934397  0.233698  0.685126  1
  C  C154  1  0.935738  0.791550  0.638903  1
  C  C155  1  0.613082  0.510652  0.661153  1
  C  C156  1  0.616075  0.955712  0.706652  1
  C  C157  1  0.431983  0.276993  0.649083  1
  C  C158  1  0.436459  0.719226  0.694629  1
  C  C159  1  0.116308  0.441200  0.716983  1
  C  C160  1  0.114629  0.997112  0.671559  1
