# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79272705
_cell_length_b   13.87201855
_cell_length_c   47.94128549
_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   3187.36670774
_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  0.173902  0.003122  0.301460  1
  Fe  Fe2  1  0.172612  0.451635  0.347988  1
  Fe  Fe3  1  0.669361  0.717388  0.337529  1
  Fe  Fe4  1  0.660801  0.271752  0.291653  1
  Fe  Fe5  1  0.326859  0.951635  0.347987  1
  Fe  Fe6  1  0.325569  0.503122  0.301460  1
  Fe  Fe7  1  0.838671  0.771752  0.291653  1
  Fe  Fe8  1  0.830111  0.217388  0.337529  1
  Fe  Fe9  1  0.664483  0.939560  0.281881  1
  Fe  Fe10  1  0.705855  0.385404  0.327816  1
  Fe  Fe11  1  0.214403  0.785668  0.356440  1
  Fe  Fe12  1  0.210248  0.340150  0.310468  1
  Fe  Fe13  1  0.834943  0.048260  0.339474  1
  Fe  Fe14  1  0.841207  0.603607  0.294852  1
  Fe  Fe15  1  0.341100  0.674312  0.302317  1
  Fe  Fe16  1  0.344560  0.121398  0.346238  1
  Fe  Fe17  1  0.289224  0.840150  0.310468  1
  Fe  Fe18  1  0.285068  0.285668  0.356440  1
  Fe  Fe19  1  0.793617  0.885405  0.327816  1
  Fe  Fe20  1  0.834990  0.439560  0.281881  1
  Fe  Fe21  1  0.154911  0.621398  0.346238  1
  Fe  Fe22  1  0.158373  0.174312  0.302317  1
  Fe  Fe23  1  0.658264  0.103607  0.294852  1
  Fe  Fe24  1  0.664529  0.548260  0.339474  1
  Fe  Fe25  1  0.170793  0.897250  0.392571  1
  Fe  Fe26  1  0.171942  0.342131  0.437594  1
  Fe  Fe27  1  0.671677  0.605866  0.427037  1
  Fe  Fe28  1  0.672513  0.161257  0.382247  1
  Fe  Fe29  1  0.327526  0.842133  0.437592  1
  Fe  Fe30  1  0.328684  0.397250  0.392571  1
  Fe  Fe31  1  0.826960  0.661257  0.382247  1
  Fe  Fe32  1  0.827799  0.105869  0.427039  1
  Fe  Fe33  1  0.708133  0.828544  0.373462  1
  Fe  Fe34  1  0.712754  0.272838  0.418561  1
  Fe  Fe35  1  0.212333  0.675179  0.445964  1
  Fe  Fe36  1  0.212964  0.230275  0.401263  1
  Fe  Fe37  1  0.843053  0.937568  0.428439  1
  Fe  Fe38  1  0.842302  0.492393  0.383617  1
  Fe  Fe39  1  0.342764  0.564855  0.391172  1
  Fe  Fe40  1  0.343617  0.010516  0.436149  1
  Fe  Fe41  1  0.286509  0.730275  0.401263  1
  Fe  Fe42  1  0.287135  0.175180  0.445965  1
  Fe  Fe43  1  0.786731  0.772842  0.418561  1
  Fe  Fe44  1  0.791343  0.328544  0.373463  1
  Fe  Fe45  1  0.155867  0.510518  0.436150  1
  Fe  Fe46  1  0.156719  0.064857  0.391173  1
  Fe  Fe47  1  0.657170  0.992397  0.383616  1
  Fe  Fe48  1  0.656423  0.437565  0.428439  1
  Fe  Fe49  1  0.171407  0.787235  0.482395  1
  Fe  Fe50  1  0.171167  0.232268  0.527343  1
  Fe  Fe51  1  0.671428  0.495949  0.516849  1
  Fe  Fe52  1  0.671087  0.050917  0.471909  1
  Fe  Fe53  1  0.328421  0.732255  0.527335  1
  Fe  Fe54  1  0.328103  0.287234  0.482398  1
  Fe  Fe55  1  0.828399  0.550909  0.471912  1
  Fe  Fe56  1  0.828069  0.995963  0.516850  1
  Fe  Fe57  1  0.713271  0.717740  0.463498  1
  Fe  Fe58  1  0.713544  0.162791  0.508448  1
  Fe  Fe59  1  0.213207  0.565417  0.535746  1
  Fe  Fe60  1  0.213427  0.120365  0.490797  1
  Fe  Fe61  1  0.843486  0.827619  0.518198  1
  Fe  Fe62  1  0.844229  0.382654  0.473333  1
  Fe  Fe63  1  0.343557  0.455537  0.481045  1
  Fe  Fe64  1  0.344558  0.900453  0.525910  1
  Fe  Fe65  1  0.286045  0.620359  0.490796  1
  Fe  Fe66  1  0.286308  0.065417  0.535748  1
  Fe  Fe67  1  0.786012  0.662791  0.508449  1
  Fe  Fe68  1  0.786273  0.217757  0.463508  1
  Fe  Fe69  1  0.155176  0.400495  0.525925  1
  Fe  Fe70  1  0.155952  0.955543  0.481046  1
  Fe  Fe71  1  0.655247  0.882671  0.473331  1
  Fe  Fe72  1  0.656049  0.327646  0.518208  1
  Fe  Fe73  1  0.171781  0.677314  0.572200  1
  Fe  Fe74  1  0.173805  0.122053  0.616978  1
  Fe  Fe75  1  0.670885  0.385940  0.606657  1
  Fe  Fe76  1  0.672104  0.940939  0.561627  1
  Fe  Fe77  1  0.326977  0.621954  0.617003  1
  Fe  Fe78  1  0.328036  0.177287  0.572213  1
  Fe  Fe79  1  0.827529  0.441004  0.561655  1
  Fe  Fe80  1  0.828780  0.885845  0.606671  1
  Fe  Fe81  1  0.712421  0.607973  0.553280  1
  Fe  Fe82  1  0.714102  0.052669  0.597898  1
  Fe  Fe83  1  0.207971  0.454636  0.625783  1
  Fe  Fe84  1  0.212824  0.010219  0.580671  1
  Fe  Fe85  1  0.842779  0.718340  0.608066  1
  Fe  Fe86  1  0.843614  0.272580  0.563121  1
  Fe  Fe87  1  0.343293  0.345587  0.570809  1
  Fe  Fe88  1  0.342540  0.790767  0.615625  1
  Fe  Fe89  1  0.286721  0.510309  0.580683  1
  Fe  Fe90  1  0.291152  0.954473  0.625765  1
  Fe  Fe91  1  0.786576  0.552890  0.597985  1
  Fe  Fe92  1  0.787551  0.108031  0.553290  1
  Fe  Fe93  1  0.157487  0.290794  0.615638  1
  Fe  Fe94  1  0.156404  0.845579  0.570812  1
  Fe  Fe95  1  0.655842  0.772619  0.563091  1
  Fe  Fe96  1  0.656960  0.218216  0.608102  1
  Fe  Fe97  1  0.168843  0.565686  0.661734  1
  Fe  Fe98  1  0.160591  0.011491  0.707579  1
  Fe  Fe99  1  0.669077  0.280322  0.697987  1
  Fe  Fe100  1  0.672759  0.831499  0.651259  1
  Fe  Fe101  1  0.338288  0.511393  0.707594  1
  Fe  Fe102  1  0.330636  0.065647  0.661649  1
  Fe  Fe103  1  0.826822  0.331574  0.651263  1
  Fe  Fe104  1  0.825574  0.780072  0.697772  1
  Fe  Fe105  1  0.714555  0.497621  0.642802  1
  Fe  Fe106  1  0.710400  0.943095  0.688769  1
  Fe  Fe107  1  0.164263  0.343808  0.717654  1
  Fe  Fe108  1  0.205769  0.897806  0.671418  1
  Fe  Fe109  1  0.840655  0.608888  0.696900  1
  Fe  Fe110  1  0.844608  0.161970  0.653004  1
  Fe  Fe111  1  0.339389  0.234198  0.659584  1
  Fe  Fe112  1  0.341328  0.679592  0.704377  1
  Fe  Fe113  1  0.292771  0.397423  0.671474  1
  Fe  Fe114  1  0.334790  0.843559  0.717381  1
  Fe  Fe115  1  0.787464  0.443472  0.688847  1
  Fe  Fe116  1  0.785663  0.997400  0.642783  1
  Fe  Fe117  1  0.158797  0.179769  0.704280  1
  Fe  Fe118  1  0.164646  0.734867  0.659781  1
  Fe  Fe119  1  0.654704  0.661693  0.653005  1
  Fe  Fe120  1  0.658280  0.108664  0.696872  1
  C  C121  1  0.544102  0.994328  0.316682  1
  C  C122  1  0.547530  0.439035  0.361230  1
  C  C123  1  0.044286  0.730108  0.323901  1
  C  C124  1  0.039839  0.278859  0.278797  1
  C  C125  1  0.951943  0.939036  0.361230  1
  C  C126  1  0.955369  0.494327  0.316682  1
  C  C127  1  0.459633  0.778859  0.278797  1
  C  C128  1  0.455187  0.230108  0.323901  1
  C  C129  1  0.545598  0.884737  0.406310  1
  C  C130  1  0.547271  0.329698  0.451166  1
  C  C131  1  0.046701  0.618266  0.413374  1
  C  C132  1  0.047914  0.173290  0.368659  1
  C  C133  1  0.952205  0.829704  0.451166  1
  C  C134  1  0.953883  0.384735  0.406311  1
  C  C135  1  0.451557  0.673291  0.368659  1
  C  C136  1  0.452776  0.118270  0.413375  1
  C  C137  1  0.546499  0.774669  0.496027  1
  C  C138  1  0.546439  0.219846  0.540939  1
  C  C139  1  0.046520  0.508469  0.503214  1
  C  C140  1  0.046326  0.063315  0.458303  1
  C  C141  1  0.953176  0.719846  0.540938  1
  C  C142  1  0.953045  0.274683  0.496039  1
  C  C143  1  0.453172  0.563313  0.458303  1
  C  C144  1  0.452983  0.008489  0.503213  1
  C  C145  1  0.546754  0.664870  0.585871  1
  C  C146  1  0.549204  0.109455  0.630535  1
  C  C147  1  0.045735  0.398394  0.592928  1
  C  C148  1  0.047428  0.953395  0.548056  1
  C  C149  1  0.951544  0.609921  0.630586  1
  C  C150  1  0.953117  0.164868  0.585898  1
  C  C151  1  0.452229  0.453466  0.548077  1
  C  C152  1  0.454036  0.898402  0.592918  1
  C  C153  1  0.543830  0.552997  0.675336  1
  C  C154  1  0.539592  0.004266  0.720438  1
  C  C155  1  0.039804  0.289557  0.682929  1
  C  C156  1  0.047648  0.844055  0.638010  1
  C  C157  1  0.959317  0.504516  0.720478  1
  C  C158  1  0.955659  0.053196  0.675294  1
  C  C159  1  0.451941  0.344404  0.638017  1
  C  C160  1  0.455328  0.788937  0.682565  1
