# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.30144245
_cell_length_b   8.19664536
_cell_length_c   50.03966055
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.84972090
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe144 C48'
_cell_volume   4513.8150022
_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  0.604595  0.777782  0.290331  1
  Fe  Fe2  1  0.043495  0.648863  0.325524  1
  Fe  Fe3  1  0.761450  0.225669  0.344365  1
  Fe  Fe4  1  0.323415  0.356681  0.309102  1
  Fe  Fe5  1  0.669373  0.243541  0.300645  1
  Fe  Fe6  1  0.106813  0.097409  0.336044  1
  Fe  Fe7  1  0.682120  0.978831  0.322942  1
  Fe  Fe8  1  0.252644  0.100362  0.288551  1
  Fe  Fe9  1  0.857506  0.766985  0.293407  1
  Fe  Fe10  1  0.301252  0.623434  0.328839  1
  Fe  Fe11  1  0.527946  0.238843  0.342779  1
  Fe  Fe12  1  0.089270  0.371517  0.306931  1
  Fe  Fe13  1  0.919658  0.958766  0.331074  1
  Fe  Fe14  1  0.485066  0.091036  0.297758  1
  Fe  Fe15  1  0.913974  0.225902  0.304991  1
  Fe  Fe16  1  0.364390  0.086964  0.340689  1
  Fe  Fe17  1  0.606871  0.732122  0.343356  1
  Fe  Fe18  1  0.167058  0.866084  0.306818  1
  Fe  Fe19  1  0.772823  0.500535  0.317201  1
  Fe  Fe20  1  0.211095  0.358550  0.352895  1
  Fe  Fe21  1  0.841699  0.727657  0.346341  1
  Fe  Fe22  1  0.391508  0.855804  0.309838  1
  Fe  Fe23  1  0.529901  0.532133  0.312388  1
  Fe  Fe24  1  0.969238  0.393906  0.347677  1
  Fe  Fe25  1  0.484828  0.506544  0.361485  1
  Fe  Fe26  1  0.924601  0.369432  0.397119  1
  Fe  Fe27  1  0.642642  0.947047  0.416164  1
  Fe  Fe28  1  0.203304  0.083027  0.380711  1
  Fe  Fe29  1  0.548585  0.961880  0.371709  1
  Fe  Fe30  1  0.987931  0.821308  0.407543  1
  Fe  Fe31  1  0.560946  0.698363  0.394601  1
  Fe  Fe32  1  0.119029  0.835357  0.358798  1
  Fe  Fe33  1  0.740901  0.487727  0.365008  1
  Fe  Fe34  1  0.180885  0.348772  0.400496  1
  Fe  Fe35  1  0.407898  0.961315  0.414444  1
  Fe  Fe36  1  0.967593  0.099237  0.378555  1
  Fe  Fe37  1  0.798465  0.684325  0.401796  1
  Fe  Fe38  1  0.357246  0.822874  0.366281  1
  Fe  Fe39  1  0.801527  0.950969  0.376563  1
  Fe  Fe40  1  0.241660  0.812608  0.412244  1
  Fe  Fe41  1  0.488258  0.453620  0.414402  1
  Fe  Fe42  1  0.049410  0.590243  0.378486  1
  Fe  Fe43  1  0.651200  0.220923  0.388826  1
  Fe  Fe44  1  0.090707  0.081898  0.424278  1
  Fe  Fe45  1  0.721515  0.449928  0.417491  1
  Fe  Fe46  1  0.279596  0.586948  0.381581  1
  Fe  Fe47  1  0.409429  0.255759  0.383563  1
  Fe  Fe48  1  0.849379  0.117203  0.419351  1
  Fe  Fe49  1  0.365000  0.232283  0.432866  1
  Fe  Fe50  1  0.804480  0.093759  0.468599  1
  Fe  Fe51  1  0.522744  0.670579  0.487631  1
  Fe  Fe52  1  0.082624  0.807669  0.451971  1
  Fe  Fe53  1  0.427921  0.684965  0.443135  1
  Fe  Fe54  1  0.868075  0.545524  0.479035  1
  Fe  Fe55  1  0.440538  0.421741  0.465966  1
  Fe  Fe56  1  1.000016  0.559045  0.430347  1
  Fe  Fe57  1  0.621108  0.210701  0.436418  1
  Fe  Fe58  1  0.060718  0.072113  0.472026  1
  Fe  Fe59  1  0.287427  0.684580  0.485898  1
  Fe  Fe60  1  0.847610  0.822759  0.450203  1
  Fe  Fe61  1  0.678394  0.407826  0.473372  1
  Fe  Fe62  1  0.237752  0.546447  0.437518  1
  Fe  Fe63  1  0.682054  0.674258  0.448080  1
  Fe  Fe64  1  0.121925  0.536000  0.483791  1
  Fe  Fe65  1  0.368174  0.177174  0.485772  1
  Fe  Fe66  1  0.929001  0.314424  0.450072  1
  Fe  Fe67  1  0.531786  0.944282  0.460138  1
  Fe  Fe68  1  0.970402  0.805782  0.495813  1
  Fe  Fe69  1  0.601270  0.173208  0.488946  1
  Fe  Fe70  1  0.161243  0.311678  0.453090  1
  Fe  Fe71  1  0.289648  0.978904  0.455024  1
  Fe  Fe72  1  0.729547  0.840637  0.490932  1
  Fe  Fe73  1  0.244431  0.956020  0.504303  1
  Fe  Fe74  1  0.684837  0.817603  0.540113  1
  Fe  Fe75  1  0.403319  0.395108  0.558972  1
  Fe  Fe76  1  0.961757  0.532211  0.523480  1
  Fe  Fe77  1  0.306881  0.409610  0.514356  1
  Fe  Fe78  1  0.748869  0.268364  0.550793  1
  Fe  Fe79  1  0.321280  0.145684  0.537145  1
  Fe  Fe80  1  0.879960  0.282970  0.501841  1
  Fe  Fe81  1  0.501538  0.934678  0.507915  1
  Fe  Fe82  1  0.939573  0.795793  0.543514  1
  Fe  Fe83  1  0.165090  0.408477  0.557510  1
  Fe  Fe84  1  0.727579  0.546861  0.521764  1
  Fe  Fe85  1  0.558672  0.131223  0.544937  1
  Fe  Fe86  1  0.117505  0.270224  0.508850  1
  Fe  Fe87  1  0.561519  0.398174  0.519636  1
  Fe  Fe88  1  1.001048  0.259478  0.555510  1
  Fe  Fe89  1  0.247030  0.901932  0.556892  1
  Fe  Fe90  1  0.809450  0.037857  0.521756  1
  Fe  Fe91  1  0.411993  0.667981  0.531466  1
  Fe  Fe92  1  0.851497  0.529803  0.567262  1
  Fe  Fe93  1  0.480908  0.897559  0.560311  1
  Fe  Fe94  1  0.041171  0.035844  0.524559  1
  Fe  Fe95  1  0.169716  0.701924  0.526629  1
  Fe  Fe96  1  0.609781  0.564276  0.562322  1
  Fe  Fe97  1  0.121926  0.680053  0.575819  1
  Fe  Fe98  1  0.565236  0.541962  0.611507  1
  Fe  Fe99  1  0.280854  0.129514  0.630239  1
  Fe  Fe100  1  0.840412  0.255509  0.594769  1
  Fe  Fe101  1  0.184840  0.136064  0.584966  1
  Fe  Fe102  1  0.626568  0.994143  0.622268  1
  Fe  Fe103  1  0.203672  0.871053  0.607907  1
  Fe  Fe104  1  0.758400  0.006430  0.573964  1
  Fe  Fe105  1  0.381213  0.658279  0.579131  1
  Fe  Fe106  1  0.818719  0.519141  0.614938  1
  Fe  Fe107  1  0.038541  0.136248  0.629562  1
  Fe  Fe108  1  0.608956  0.268134  0.593174  1
  Fe  Fe109  1  0.438222  0.856516  0.616086  1
  Fe  Fe110  1  0.996987  0.993185  0.580373  1
  Fe  Fe111  1  0.440302  0.122550  0.590908  1
  Fe  Fe112  1  0.879998  0.982364  0.628107  1
  Fe  Fe113  1  0.125003  0.629699  0.627881  1
  Fe  Fe114  1  0.688752  0.761599  0.593403  1
  Fe  Fe115  1  0.289400  0.392730  0.602634  1
  Fe  Fe116  1  0.740416  0.251174  0.639418  1
  Fe  Fe117  1  0.359448  0.624781  0.631506  1
  Fe  Fe118  1  0.920402  0.760143  0.596313  1
  Fe  Fe119  1  0.049783  0.423596  0.598866  1
  Fe  Fe120  1  0.487580  0.290204  0.633401  1
  Fe  Fe121  1  0.998166  0.402153  0.647168  1
  Fe  Fe122  1  0.449337  0.268650  0.682543  1
  Fe  Fe123  1  0.148766  0.872657  0.699891  1
  Fe  Fe124  1  0.723564  0.971445  0.666978  1
  Fe  Fe125  1  0.065657  0.862099  0.654914  1
  Fe  Fe126  1  0.494109  0.728755  0.692253  1
  Fe  Fe127  1  0.103099  0.604013  0.677593  1
  Fe  Fe128  1  0.639990  0.728595  0.644359  1
  Fe  Fe129  1  0.257082  0.385206  0.650645  1
  Fe  Fe130  1  0.705676  0.240480  0.687298  1
  Fe  Fe131  1  0.938709  0.812707  0.698966  1
  Fe  Fe132  1  0.487110  0.992732  0.664430  1
  Fe  Fe133  1  0.317330  0.583865  0.687222  1
  Fe  Fe134  1  0.880859  0.708216  0.653488  1
  Fe  Fe135  1  0.316504  0.849106  0.661528  1
  Fe  Fe136  1  0.757478  0.701984  0.698568  1
  Fe  Fe137  1  0.982149  0.427537  0.695637  1
  Fe  Fe138  1  0.566791  0.482623  0.664415  1
  Fe  Fe139  1  0.161028  0.125268  0.672810  1
  Fe  Fe140  1  0.595878  0.975557  0.709727  1
  Fe  Fe141  1  0.242674  0.330013  0.701908  1
  Fe  Fe142  1  0.799468  0.475494  0.668039  1
  Fe  Fe143  1  0.939737  0.132845  0.674088  1
  Fe  Fe144  1  0.364697  0.017842  0.703483  1
  C  C145  1  0.446936  0.695119  0.337669  1
  C  C146  1  0.004953  0.836249  0.301467  1
  C  C147  1  0.729475  0.741166  0.317154  1
  C  C148  1  0.170309  0.599161  0.351860  1
  C  C149  1  0.781041  0.364035  0.285733  1
  C  C150  1  0.223753  0.213343  0.322370  1
  C  C151  1  0.935749  0.176585  0.342454  1
  C  C152  1  0.497350  0.314780  0.306571  1
  C  C153  1  0.327406  0.419690  0.408806  1
  C  C154  1  0.888176  0.557208  0.373122  1
  C  C155  1  0.610633  0.461565  0.388081  1
  C  C156  1  0.050780  0.322575  0.423619  1
  C  C157  1  0.663511  0.080317  0.357752  1
  C  C158  1  0.102695  0.939414  0.393426  1
  C  C159  1  0.816854  0.899401  0.414043  1
  C  C160  1  0.377370  0.037685  0.378263  1
  C  C161  1  0.207337  0.143164  0.480185  1
  C  C162  1  0.767812  0.281487  0.444593  1
  C  C163  1  0.490685  0.184948  0.459476  1
  C  C164  1  0.930458  0.046448  0.495141  1
  C  C165  1  0.543636  0.802260  0.429234  1
  C  C166  1  0.983175  0.663234  0.464959  1
  C  C167  1  0.696967  0.622912  0.485572  1
  C  C168  1  0.256779  0.761282  0.449736  1
  C  C169  1  0.086321  0.866713  0.551590  1
  C  C170  1  0.648227  0.005428  0.516126  1
  C  C171  1  0.370605  0.908654  0.530802  1
  C  C172  1  0.809964  0.770487  0.566848  1
  C  C173  1  0.423551  0.525748  0.500592  1
  C  C174  1  0.863002  0.386878  0.536475  1
  C  C175  1  0.577608  0.346216  0.557098  1
  C  C176  1  0.135948  0.484855  0.521297  1
  C  C177  1  0.964901  0.590699  0.623316  1
  C  C178  1  0.527754  0.729227  0.587409  1
  C  C179  1  0.249744  0.633400  0.601943  1
  C  C180  1  0.689923  0.491312  0.638312  1
  C  C181  1  0.303203  0.250847  0.571680  1
  C  C182  1  0.743538  0.110147  0.608617  1
  C  C183  1  0.455206  0.072036  0.628430  1
  C  C184  1  0.014697  0.207752  0.593002  1
  C  C185  1  0.851358  0.313121  0.695827  1
  C  C186  1  0.404594  0.454923  0.658424  1
  C  C187  1  0.124693  0.365883  0.673608  1
  C  C188  1  0.572627  0.215138  0.709615  1
  C  C189  1  0.181951  0.981333  0.642019  1
  C  C190  1  0.620619  0.829627  0.679194  1
  C  C191  1  0.323161  0.804590  0.699266  1
  C  C192  1  0.897876  0.924748  0.665360  1
