# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.32538041
_cell_length_b   10.04637205
_cell_length_c   46.11821251
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   127.75587143
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe156 C78'
_cell_volume   4514.95686083
_cell_formula_units_Z   78
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  0.100227  0.989614  0.281001  1
  Fe  Fe2  1  0.600231  0.989619  0.281000  1
  Fe  Fe3  1  0.493959  0.312085  0.279431  1
  Fe  Fe4  1  0.601751  0.586948  0.311715  1
  Fe  Fe5  1  0.993958  0.312085  0.279430  1
  Fe  Fe6  1  0.101753  0.586954  0.311713  1
  Fe  Fe7  1  0.892440  0.961229  0.299560  1
  Fe  Fe8  1  0.392439  0.961226  0.299560  1
  Fe  Fe9  1  0.320081  0.330062  0.289012  1
  Fe  Fe10  1  0.759669  0.689535  0.276480  1
  Fe  Fe11  1  0.820083  0.330064  0.289012  1
  Fe  Fe12  1  0.259668  0.689533  0.276480  1
  Fe  Fe13  1  0.742399  0.858810  0.335129  1
  Fe  Fe14  1  0.242399  0.858812  0.335129  1
  Fe  Fe15  1  0.181277  0.220481  0.323966  1
  Fe  Fe16  1  0.345315  0.516352  0.338712  1
  Fe  Fe17  1  0.681275  0.220478  0.323966  1
  Fe  Fe18  1  0.845403  0.516311  0.338727  1
  Fe  Fe19  1  0.569696  0.869552  0.326382  1
  Fe  Fe20  1  0.069699  0.869552  0.326383  1
  Fe  Fe21  1  0.015554  0.231830  0.323282  1
  Fe  Fe22  1  0.432934  0.642057  0.292433  1
  Fe  Fe23  1  0.515553  0.231828  0.323281  1
  Fe  Fe24  1  0.933158  0.642121  0.292408  1
  Fe  Fe25  1  0.457993  0.765726  0.366892  1
  Fe  Fe26  1  0.957998  0.765731  0.366891  1
  Fe  Fe27  1  0.883256  0.129003  0.358821  1
  Fe  Fe28  1  0.015106  0.393185  0.381427  1
  Fe  Fe29  1  0.383256  0.129006  0.358821  1
  Fe  Fe30  1  0.515104  0.393183  0.381427  1
  Fe  Fe31  1  0.282694  0.759697  0.370243  1
  Fe  Fe32  1  0.782696  0.759699  0.370242  1
  Fe  Fe33  1  0.713209  0.121593  0.358185  1
  Fe  Fe34  1  0.154831  0.493012  0.347047  1
  Fe  Fe35  1  0.213208  0.121592  0.358185  1
  Fe  Fe36  1  0.654832  0.493016  0.347047  1
  Fe  Fe37  1  0.148915  0.660680  0.404518  1
  Fe  Fe38  1  0.648914  0.660680  0.404517  1
  Fe  Fe39  1  0.581081  0.026093  0.392672  1
  Fe  Fe40  1  0.715761  0.293995  0.415419  1
  Fe  Fe41  1  0.081076  0.026089  0.392673  1
  Fe  Fe42  1  0.215760  0.293994  0.415419  1
  Fe  Fe43  1  0.982072  0.661855  0.403902  1
  Fe  Fe44  1  0.482072  0.661855  0.403902  1
  Fe  Fe45  1  0.416286  0.028619  0.393215  1
  Fe  Fe46  1  0.846225  0.398238  0.379268  1
  Fe  Fe47  1  0.916283  0.028617  0.393214  1
  Fe  Fe48  1  0.346223  0.398234  0.379268  1
  Fe  Fe49  1  0.849000  0.560712  0.438814  1
  Fe  Fe50  1  0.348999  0.560713  0.438814  1
  Fe  Fe51  1  0.282592  0.928254  0.427454  1
  Fe  Fe52  1  0.416097  0.194361  0.450219  1
  Fe  Fe53  1  0.782591  0.928254  0.427454  1
  Fe  Fe54  1  0.916097  0.194362  0.450219  1
  Fe  Fe55  1  0.681511  0.560228  0.438867  1
  Fe  Fe56  1  0.181514  0.560229  0.438867  1
  Fe  Fe57  1  0.115749  0.927487  0.427217  1
  Fe  Fe58  1  0.548848  0.293532  0.415799  1
  Fe  Fe59  1  0.615750  0.927488  0.427217  1
  Fe  Fe60  1  0.048849  0.293533  0.415799  1
  Fe  Fe61  1  0.549042  0.461161  0.473187  1
  Fe  Fe62  1  0.049043  0.461162  0.473187  1
  Fe  Fe63  1  0.982937  0.828124  0.461784  1
  Fe  Fe64  1  0.115979  0.094601  0.484638  1
  Fe  Fe65  1  0.482937  0.828124  0.461784  1
  Fe  Fe66  1  0.615979  0.094601  0.484637  1
  Fe  Fe67  1  0.382728  0.461417  0.473216  1
  Fe  Fe68  1  0.882729  0.461417  0.473216  1
  Fe  Fe69  1  0.815544  0.828004  0.461803  1
  Fe  Fe70  1  0.248969  0.194398  0.450240  1
  Fe  Fe71  1  0.315545  0.828004  0.461803  1
  Fe  Fe72  1  0.748970  0.194399  0.450240  1
  Fe  Fe73  1  0.249703  0.361901  0.507673  1
  Fe  Fe74  1  0.749703  0.361901  0.507673  1
  Fe  Fe75  1  0.682412  0.727844  0.496080  1
  Fe  Fe76  1  0.816398  0.995103  0.519100  1
  Fe  Fe77  1  0.182413  0.727844  0.496080  1
  Fe  Fe78  1  0.316398  0.995103  0.519100  1
  Fe  Fe79  1  0.083046  0.361856  0.507673  1
  Fe  Fe80  1  0.583046  0.361856  0.507673  1
  Fe  Fe81  1  0.516037  0.727913  0.496094  1
  Fe  Fe82  1  0.949344  0.094508  0.484587  1
  Fe  Fe83  1  0.016037  0.727913  0.496094  1
  Fe  Fe84  1  0.449344  0.094507  0.484587  1
  Fe  Fe85  1  0.950101  0.262151  0.542081  1
  Fe  Fe86  1  0.450101  0.262151  0.542081  1
  Fe  Fe87  1  0.383080  0.628412  0.530553  1
  Fe  Fe88  1  0.516574  0.895653  0.553600  1
  Fe  Fe89  1  0.883080  0.628412  0.530553  1
  Fe  Fe90  1  0.016573  0.895653  0.553600  1
  Fe  Fe91  1  0.782939  0.262113  0.542080  1
  Fe  Fe92  1  0.282939  0.262113  0.542080  1
  Fe  Fe93  1  0.216239  0.628545  0.530545  1
  Fe  Fe94  1  0.649382  0.994994  0.519081  1
  Fe  Fe95  1  0.716239  0.628545  0.530545  1
  Fe  Fe96  1  0.149382  0.994994  0.519081  1
  Fe  Fe97  1  0.649586  0.162528  0.576636  1
  Fe  Fe98  1  0.149586  0.162528  0.576636  1
  Fe  Fe99  1  0.083229  0.528872  0.564933  1
  Fe  Fe100  1  0.217027  0.796180  0.587945  1
  Fe  Fe101  1  0.583229  0.528872  0.564933  1
  Fe  Fe102  1  0.717027  0.796180  0.587945  1
  Fe  Fe103  1  0.483077  0.162037  0.576471  1
  Fe  Fe104  1  0.983077  0.162037  0.576471  1
  Fe  Fe105  1  0.916558  0.528888  0.565024  1
  Fe  Fe106  1  0.349999  0.895944  0.553592  1
  Fe  Fe107  1  0.416558  0.528889  0.565024  1
  Fe  Fe108  1  0.849999  0.895944  0.553592  1
  Fe  Fe109  1  0.349465  0.062002  0.610736  1
  Fe  Fe110  1  0.849465  0.062002  0.610736  1
  Fe  Fe111  1  0.782866  0.428998  0.599592  1
  Fe  Fe112  1  0.918218  0.690761  0.624319  1
  Fe  Fe113  1  0.282866  0.428998  0.599592  1
  Fe  Fe114  1  0.418218  0.690762  0.624319  1
  Fe  Fe115  1  0.183756  0.063675  0.610968  1
  Fe  Fe116  1  0.683756  0.063675  0.610968  1
  Fe  Fe117  1  0.615838  0.428291  0.599245  1
  Fe  Fe118  1  0.049010  0.795392  0.588194  1
  Fe  Fe119  1  0.115838  0.428291  0.599245  1
  Fe  Fe120  1  0.549010  0.795392  0.588194  1
  Fe  Fe121  1  0.049529  0.962913  0.644957  1
  Fe  Fe122  1  0.549529  0.962913  0.644957  1
  Fe  Fe123  1  0.481937  0.328198  0.633753  1
  Fe  Fe124  1  0.611084  0.598005  0.657240  1
  Fe  Fe125  1  0.981937  0.328198  0.633753  1
  Fe  Fe126  1  0.111084  0.598005  0.657240  1
  Fe  Fe127  1  0.882533  0.961501  0.645087  1
  Fe  Fe128  1  0.382533  0.961501  0.645087  1
  Fe  Fe129  1  0.317450  0.331642  0.634187  1
  Fe  Fe130  1  0.750613  0.696809  0.622500  1
  Fe  Fe131  1  0.817450  0.331642  0.634187  1
  Fe  Fe132  1  0.250613  0.696809  0.622500  1
  Fe  Fe133  1  0.754584  0.863396  0.680583  1
  Fe  Fe134  1  0.254584  0.863396  0.680583  1
  Fe  Fe135  1  0.189135  0.231245  0.669862  1
  Fe  Fe136  1  0.334300  0.455893  0.711168  1
  Fe  Fe137  1  0.689135  0.231245  0.669862  1
  Fe  Fe138  1  0.834300  0.455893  0.711168  1
  Fe  Fe139  1  0.582022  0.862761  0.678813  1
  Fe  Fe140  1  0.082022  0.862761  0.678813  1
  Fe  Fe141  1  0.012265  0.224740  0.669209  1
  Fe  Fe142  1  0.420266  0.575619  0.664500  1
  Fe  Fe143  1  0.512265  0.224740  0.669209  1
  Fe  Fe144  1  0.920266  0.575619  0.664500  1
  Fe  Fe145  1  0.444185  0.756409  0.714495  1
  Fe  Fe146  1  0.944185  0.756409  0.714495  1
  Fe  Fe147  1  0.904379  0.138291  0.712071  1
  Fe  Fe148  1  0.993981  0.410673  0.729070  1
  Fe  Fe149  1  0.404379  0.138291  0.712071  1
  Fe  Fe150  1  0.493980  0.410672  0.729070  1
  Fe  Fe151  1  0.271449  0.776881  0.723656  1
  Fe  Fe152  1  0.771449  0.776881  0.723656  1
  Fe  Fe153  1  0.709807  0.143810  0.712248  1
  Fe  Fe154  1  0.160678  0.499553  0.692605  1
  Fe  Fe155  1  0.209807  0.143810  0.712248  1
  Fe  Fe156  1  0.660678  0.499553  0.692605  1
  C  C157  1  0.729620  0.963560  0.300236  1
  C  C158  1  0.229620  0.963559  0.300235  1
  C  C159  1  0.146972  0.316820  0.290091  1
  C  C160  1  0.593232  0.679311  0.276070  1
  C  C161  1  0.646974  0.316825  0.290091  1
  C  C162  1  0.093118  0.679279  0.276084  1
  C  C163  1  0.407291  0.861359  0.335474  1
  C  C164  1  0.907288  0.861359  0.335475  1
  C  C165  1  0.848785  0.222114  0.323655  1
  C  C166  1  0.271583  0.587122  0.311566  1
  C  C167  1  0.348785  0.222114  0.323655  1
  C  C168  1  0.771437  0.587115  0.311567  1
  C  C169  1  0.118931  0.760651  0.370060  1
  C  C170  1  0.618929  0.760650  0.370060  1
  C  C171  1  0.546291  0.125702  0.358093  1
  C  C172  1  0.984509  0.490897  0.347102  1
  C  C173  1  0.046290  0.125701  0.358094  1
  C  C174  1  0.484564  0.490886  0.347106  1
  C  C175  1  0.813333  0.659661  0.405145  1
  C  C176  1  0.313339  0.659664  0.405144  1
  C  C177  1  0.249612  0.028597  0.392846  1
  C  C178  1  0.682971  0.394297  0.381158  1
  C  C179  1  0.749611  0.028597  0.392846  1
  C  C180  1  0.182971  0.394295  0.381158  1
  C  C181  1  0.514873  0.560630  0.438409  1
  C  C182  1  0.014874  0.560631  0.438409  1
  C  C183  1  0.949465  0.926928  0.427061  1
  C  C184  1  0.381654  0.294214  0.415774  1
  C  C185  1  0.449467  0.926928  0.427061  1
  C  C186  1  0.881655  0.294215  0.415774  1
  C  C187  1  0.215995  0.461212  0.473140  1
  C  C188  1  0.715995  0.461212  0.473140  1
  C  C189  1  0.649015  0.827818  0.461676  1
  C  C190  1  0.082906  0.194496  0.450268  1
  C  C191  1  0.149015  0.827818  0.461676  1
  C  C192  1  0.582907  0.194497  0.450268  1
  C  C193  1  0.916098  0.361390  0.507621  1
  C  C194  1  0.416098  0.361390  0.507621  1
  C  C195  1  0.349379  0.728185  0.496167  1
  C  C196  1  0.782735  0.094901  0.484720  1
  C  C197  1  0.849379  0.728184  0.496167  1
  C  C198  1  0.282735  0.094901  0.484720  1
  C  C199  1  0.616548  0.262028  0.542026  1
  C  C200  1  0.116548  0.262028  0.542026  1
  C  C201  1  0.049749  0.628745  0.530621  1
  C  C202  1  0.482944  0.995052  0.519117  1
  C  C203  1  0.549749  0.628745  0.530621  1
  C  C204  1  0.982944  0.995052  0.519117  1
  C  C205  1  0.316025  0.162333  0.576495  1
  C  C206  1  0.816025  0.162333  0.576495  1
  C  C207  1  0.750423  0.529330  0.565277  1
  C  C208  1  0.182879  0.895480  0.553522  1
  C  C209  1  0.250423  0.529330  0.565277  1
  C  C210  1  0.682880  0.895480  0.553522  1
  C  C211  1  0.017180  0.062306  0.611345  1
  C  C212  1  0.517180  0.062306  0.611345  1
  C  C213  1  0.450232  0.429104  0.599405  1
  C  C214  1  0.883024  0.795590  0.587818  1
  C  C215  1  0.950232  0.429104  0.599405  1
  C  C216  1  0.383024  0.795590  0.587818  1
  C  C217  1  0.717077  0.963723  0.645288  1
  C  C218  1  0.217077  0.963723  0.645288  1
  C  C219  1  0.146224  0.328266  0.634100  1
  C  C220  1  0.584460  0.696344  0.622338  1
  C  C221  1  0.646224  0.328266  0.634100  1
  C  C222  1  0.084460  0.696344  0.622338  1
  C  C223  1  0.419846  0.869092  0.680205  1
  C  C224  1  0.919846  0.869092  0.680205  1
  C  C225  1  0.852715  0.229900  0.668268  1
  C  C226  1  0.277318  0.595019  0.656665  1
  C  C227  1  0.352715  0.229900  0.668268  1
  C  C228  1  0.777318  0.595019  0.656665  1
  C  C229  1  0.124514  0.785446  0.713614  1
  C  C230  1  0.624514  0.785446  0.713614  1
  C  C231  1  0.551111  0.128735  0.702373  1
  C  C232  1  0.990982  0.496632  0.692165  1
  C  C233  1  0.051111  0.128735  0.702373  1
  C  C234  1  0.490982  0.496632  0.692165  1
