# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91806885
_cell_length_b   14.32274073
_cell_length_c   46.62833868
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.68980799
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe144 C48'
_cell_volume   4513.9726473
_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  0.270981  0.155887  0.341101  1
  Fe  Fe2  1  0.494620  0.689744  0.305874  1
  Fe  Fe3  1  0.703204  0.976076  0.354158  1
  Fe  Fe4  1  0.945162  0.510855  0.324610  1
  Fe  Fe5  1  0.715423  0.932676  0.307402  1
  Fe  Fe6  1  0.491881  0.407586  0.341672  1
  Fe  Fe7  1  0.555977  0.825348  0.335310  1
  Fe  Fe8  1  0.842702  0.352882  0.303151  1
  Fe  Fe9  1  0.139427  0.191564  0.295768  1
  Fe  Fe10  1  0.875907  0.681049  0.326187  1
  Fe  Fe11  1  0.338153  0.995262  0.334605  1
  Fe  Fe12  1  0.581353  0.520469  0.301390  1
  Fe  Fe13  1  0.931782  0.810065  0.356293  1
  Fe  Fe14  1  0.179356  0.330952  0.326691  1
  Fe  Fe15  1  0.108951  0.908496  0.328471  1
  Fe  Fe16  1  0.873032  0.386409  0.363912  1
  Fe  Fe17  1  0.357927  0.723404  0.359398  1
  Fe  Fe18  1  0.615434  0.249012  0.326729  1
  Fe  Fe19  1  0.931160  0.085547  0.318801  1
  Fe  Fe20  1  0.650603  0.560611  0.353797  1
  Fe  Fe21  1  0.140578  0.752304  0.306961  1
  Fe  Fe22  1  0.959506  0.235691  0.345450  1
  Fe  Fe23  1  0.542397  0.100787  0.312823  1
  Fe  Fe24  1  0.298744  0.577603  0.337473  1
  Fe  Fe25  1  0.808793  0.099020  0.409210  1
  Fe  Fe26  1  0.027449  0.622474  0.373406  1
  Fe  Fe27  1  0.228353  0.924515  0.422145  1
  Fe  Fe28  1  0.470647  0.450896  0.388805  1
  Fe  Fe29  1  0.245222  0.881524  0.375836  1
  Fe  Fe30  1  0.012922  0.355913  0.410235  1
  Fe  Fe31  1  0.084618  0.771583  0.405821  1
  Fe  Fe32  1  0.361356  0.296189  0.373546  1
  Fe  Fe33  1  0.669661  0.139717  0.362211  1
  Fe  Fe34  1  0.418461  0.613953  0.395910  1
  Fe  Fe35  1  0.866584  0.941867  0.402713  1
  Fe  Fe36  1  0.113257  0.463862  0.368890  1
  Fe  Fe37  1  0.450033  0.761100  0.424654  1
  Fe  Fe38  1  0.701440  0.285918  0.390910  1
  Fe  Fe39  1  0.629641  0.862151  0.397402  1
  Fe  Fe40  1  0.404274  0.338221  0.433094  1
  Fe  Fe41  1  0.893671  0.669632  0.427189  1
  Fe  Fe42  1  0.145381  0.193578  0.393934  1
  Fe  Fe43  1  0.428050  0.031237  0.388381  1
  Fe  Fe44  1  0.163744  0.507390  0.423080  1
  Fe  Fe45  1  0.725036  0.712657  0.379571  1
  Fe  Fe46  1  0.498076  0.186203  0.414092  1
  Fe  Fe47  1  0.061927  0.052177  0.371601  1
  Fe  Fe48  1  0.817588  0.531407  0.403343  1
  Fe  Fe49  1  0.392071  0.048532  0.480556  1
  Fe  Fe50  1  0.594101  0.576959  0.445137  1
  Fe  Fe51  1  0.815784  0.865193  0.495249  1
  Fe  Fe52  1  0.012514  0.393928  0.457917  1
  Fe  Fe53  1  0.770043  0.829878  0.443685  1
  Fe  Fe54  1  0.553495  0.299666  0.479158  1
  Fe  Fe55  1  0.681514  0.714554  0.475914  1
  Fe  Fe56  1  0.884441  0.242079  0.441467  1
  Fe  Fe57  1  0.196797  0.087418  0.430698  1
  Fe  Fe58  1  0.990449  0.559457  0.466499  1
  Fe  Fe59  1  0.454822  0.882645  0.474593  1
  Fe  Fe60  1  0.650538  0.415706  0.439324  1
  Fe  Fe61  1  0.036856  0.703493  0.500538  1
  Fe  Fe62  1  0.234736  0.233139  0.461983  1
  Fe  Fe63  1  0.160635  0.814487  0.466405  1
  Fe  Fe64  1  0.945931  0.283150  0.501969  1
  Fe  Fe65  1  0.466591  0.611552  0.498151  1
  Fe  Fe66  1  0.673075  0.139726  0.462460  1
  Fe  Fe67  1  0.935706  0.978554  0.459118  1
  Fe  Fe68  1  0.740922  0.449723  0.494091  1
  Fe  Fe69  1  0.245945  0.659110  0.447107  1
  Fe  Fe70  1  0.032571  0.126888  0.483150  1
  Fe  Fe71  1  0.582397  0.004203  0.435719  1
  Fe  Fe72  1  0.370617  0.476160  0.471209  1
  Fe  Fe73  1  0.967199  0.993271  0.552278  1
  Fe  Fe74  1  0.169906  0.522750  0.515446  1
  Fe  Fe75  1  0.370910  0.808775  0.563704  1
  Fe  Fe76  1  0.604215  0.334232  0.530872  1
  Fe  Fe77  1  0.357973  0.767571  0.514934  1
  Fe  Fe78  1  0.146400  0.238489  0.551801  1
  Fe  Fe79  1  0.253097  0.656785  0.546767  1
  Fe  Fe80  1  0.467421  0.184874  0.511107  1
  Fe  Fe81  1  0.785347  0.031638  0.504580  1
  Fe  Fe82  1  0.568603  0.500459  0.538078  1
  Fe  Fe83  1  0.009204  0.833149  0.545739  1
  Fe  Fe84  1  0.236230  0.353801  0.510872  1
  Fe  Fe85  1  0.602672  0.646559  0.566734  1
  Fe  Fe86  1  0.828646  0.169374  0.536088  1
  Fe  Fe87  1  0.756444  0.751844  0.537030  1
  Fe  Fe88  1  0.531518  0.222402  0.573430  1
  Fe  Fe89  1  0.044783  0.554396  0.569633  1
  Fe  Fe90  1  0.265436  0.077434  0.536946  1
  Fe  Fe91  1  0.517208  0.920308  0.528771  1
  Fe  Fe92  1  0.337245  0.390980  0.564109  1
  Fe  Fe93  1  0.827690  0.596700  0.518789  1
  Fe  Fe94  1  0.625430  0.068320  0.554265  1
  Fe  Fe95  1  0.171784  0.948367  0.504451  1
  Fe  Fe96  1  0.961670  0.413657  0.546394  1
  Fe  Fe97  1  0.489690  0.936075  0.620014  1
  Fe  Fe98  1  0.706708  0.461469  0.584143  1
  Fe  Fe99  1  0.895146  0.763818  0.631319  1
  Fe  Fe100  1  0.132268  0.285161  0.598778  1
  Fe  Fe101  1  0.912298  0.714454  0.585012  1
  Fe  Fe102  1  0.674667  0.190937  0.620414  1
  Fe  Fe103  1  0.764790  0.608994  0.616800  1
  Fe  Fe104  1  0.017623  0.123032  0.583707  1
  Fe  Fe105  1  0.338441  0.971719  0.574451  1
  Fe  Fe106  1  0.092888  0.450167  0.606035  1
  Fe  Fe107  1  0.552540  0.778749  0.613768  1
  Fe  Fe108  1  0.767555  0.303026  0.579913  1
  Fe  Fe109  1  0.130924  0.599935  0.632852  1
  Fe  Fe110  1  0.367012  0.119788  0.599954  1
  Fe  Fe111  1  0.323099  0.692141  0.605224  1
  Fe  Fe112  1  0.058743  0.174096  0.642840  1
  Fe  Fe113  1  0.567370  0.507426  0.637335  1
  Fe  Fe114  1  0.814893  0.023733  0.606169  1
  Fe  Fe115  1  0.115749  0.856159  0.602060  1
  Fe  Fe116  1  0.859864  0.341788  0.631867  1
  Fe  Fe117  1  0.399304  0.542778  0.589209  1
  Fe  Fe118  1  0.177785  0.021024  0.626352  1
  Fe  Fe119  1  0.733897  0.888619  0.580300  1
  Fe  Fe120  1  0.489465  0.362311  0.616300  1
  Fe  Fe121  1  0.071609  0.908979  0.697315  1
  Fe  Fe122  1  0.229244  0.411414  0.652759  1
  Fe  Fe123  1  0.394610  0.739461  0.697986  1
  Fe  Fe124  1  0.658252  0.238366  0.667003  1
  Fe  Fe125  1  0.438073  0.669768  0.651692  1
  Fe  Fe126  1  0.199965  0.145582  0.689123  1
  Fe  Fe127  1  0.285538  0.563757  0.684593  1
  Fe  Fe128  1  0.533615  0.078348  0.652194  1
  Fe  Fe129  1  0.869103  0.922391  0.644682  1
  Fe  Fe130  1  0.615050  0.400192  0.673991  1
  Fe  Fe131  1  0.059793  0.754199  0.677185  1
  Fe  Fe132  1  0.294390  0.253931  0.648161  1
  Fe  Fe133  1  0.651949  0.557750  0.693969  1
  Fe  Fe134  1  0.891627  0.073131  0.668252  1
  Fe  Fe135  1  0.857903  0.649091  0.675886  1
  Fe  Fe136  1  0.589518  0.131017  0.712153  1
  Fe  Fe137  1  0.086064  0.464222  0.704021  1
  Fe  Fe138  1  0.345015  0.976757  0.675729  1
  Fe  Fe139  1  0.630993  0.813357  0.671147  1
  Fe  Fe140  1  0.358032  0.297273  0.700098  1
  Fe  Fe141  1  0.923692  0.497007  0.657825  1
  Fe  Fe142  1  0.697320  0.973927  0.693920  1
  Fe  Fe143  1  0.258846  0.841683  0.649170  1
  Fe  Fe144  1  0.008156  0.317843  0.680903  1
  C  C145  1  0.117080  0.697267  0.344040  1
  C  C146  1  0.371891  0.225690  0.311480  1
  C  C147  1  0.866636  0.217477  0.307448  1
  C  C148  1  0.617945  0.690952  0.342747  1
  C  C149  1  0.956135  0.970290  0.296745  1
  C  C150  1  0.731935  0.446712  0.331406  1
  C  C151  1  0.450197  0.994494  0.296871  1
  C  C152  1  0.221710  0.458493  0.330844  1
  C  C153  1  0.644288  0.651179  0.412741  1
  C  C154  1  0.895399  0.174734  0.379813  1
  C  C155  1  0.403928  0.160003  0.376794  1
  C  C156  1  0.150829  0.635012  0.409694  1
  C  C157  1  0.484457  0.919928  0.364715  1
  C  C158  1  0.254367  0.394550  0.400435  1
  C  C159  1  0.976605  0.935015  0.364744  1
  C  C160  1  0.742527  0.410772  0.400371  1
  C  C161  1  0.215795  0.597896  0.483007  1
  C  C162  1  0.422395  0.124638  0.447603  1
  C  C163  1  0.932803  0.105718  0.445784  1
  C  C164  1  0.725874  0.578643  0.481337  1
  C  C165  1  0.008890  0.870749  0.433885  1
  C  C166  1  0.793584  0.339534  0.469510  1
  C  C167  1  0.499584  0.884554  0.433953  1
  C  C168  1  0.283144  0.357539  0.470316  1
  C  C169  1  0.796225  0.536348  0.554780  1
  C  C170  1  0.019399  0.065986  0.519610  1
  C  C171  1  0.515934  0.049308  0.517403  1
  C  C172  1  0.300968  0.520700  0.551834  1
  C  C173  1  0.596794  0.808543  0.505257  1
  C  C174  1  0.384331  0.277989  0.540727  1
  C  C175  1  0.089277  0.828688  0.506239  1
  C  C176  1  0.877151  0.295175  0.541920  1
  C  C177  1  0.320023  0.485193  0.623229  1
  C  C178  1  0.567925  0.010392  0.589518  1
  C  C179  1  0.076785  0.987442  0.590265  1
  C  C180  1  0.826833  0.472359  0.620568  1
  C  C181  1  0.153489  0.752769  0.574962  1
  C  C182  1  0.917168  0.226572  0.609501  1
  C  C183  1  0.644300  0.772368  0.574784  1
  C  C184  1  0.404364  0.244665  0.610178  1
  C  C185  1  0.839278  0.437853  0.691205  1
  C  C186  1  0.095972  0.962607  0.660055  1
  C  C187  1  0.599294  0.942195  0.657437  1
  C  C188  1  0.349896  0.427104  0.688860  1
  C  C189  1  0.686422  0.706359  0.645350  1
  C  C190  1  0.442836  0.181355  0.678563  1
  C  C191  1  0.172930  0.726450  0.639704  1
  C  C192  1  0.928221  0.197414  0.679334  1
