# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84226347
_cell_length_b   14.73698033
_cell_length_c   52.91910316
_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   'Fe144 C48'
_cell_volume   3776.32527601
_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  0.174013  0.886386  0.326032  1
  Fe  Fe2  1  0.176580  0.615936  0.362054  1
  Fe  Fe3  1  0.166727  0.154114  0.286050  1
  Fe  Fe4  1  0.675280  0.082906  0.367100  1
  Fe  Fe5  1  0.668628  0.619527  0.290266  1
  Fe  Fe6  1  0.675341  0.351553  0.330212  1
  Fe  Fe7  1  0.300616  1.016886  0.304458  1
  Fe  Fe8  1  0.315271  0.751238  0.343818  1
  Fe  Fe9  1  0.313121  0.482245  0.380629  1
  Fe  Fe10  1  0.811503  0.217729  0.348911  1
  Fe  Fe11  1  0.811523  0.948702  0.385705  1
  Fe  Fe12  1  0.823487  0.487203  0.311306  1
  Fe  Fe13  1  0.652971  0.903221  0.299553  1
  Fe  Fe14  1  0.656810  0.632791  0.336456  1
  Fe  Fe15  1  0.657589  0.362975  0.373443  1
  Fe  Fe16  1  0.145157  0.875270  0.283224  1
  Fe  Fe17  1  0.154866  0.603968  0.318459  1
  Fe  Fe18  1  0.157016  0.336292  0.356477  1
  Fe  Fe19  1  0.828010  0.103705  0.320053  1
  Fe  Fe20  1  0.833674  0.832907  0.357079  1
  Fe  Fe21  1  0.837643  0.373127  0.283232  1
  Fe  Fe22  1  0.326934  0.135249  0.336111  1
  Fe  Fe23  1  0.338287  0.866086  0.372742  1
  Fe  Fe24  1  0.335074  0.406220  0.298688  1
  Fe  Fe25  1  0.330822  0.202415  0.374616  1
  Fe  Fe26  1  0.336076  0.738887  0.300941  1
  Fe  Fe27  1  0.334307  0.470877  0.337564  1
  Fe  Fe28  1  0.831685  0.228426  0.391917  1
  Fe  Fe29  1  0.834212  0.767917  0.318137  1
  Fe  Fe30  1  0.833852  0.497583  0.354943  1
  Fe  Fe31  1  0.157703  1.000669  0.354846  1
  Fe  Fe32  1  0.151640  0.731812  0.391073  1
  Fe  Fe33  1  0.149057  0.269003  0.317342  1
  Fe  Fe34  1  0.645126  0.969305  0.338489  1
  Fe  Fe35  1  0.653159  0.699093  0.375309  1
  Fe  Fe36  1  0.645110  0.238751  0.301144  1
  Fe  Fe37  1  0.175461  0.078723  0.436216  1
  Fe  Fe38  1  0.175815  0.809539  0.473080  1
  Fe  Fe39  1  0.175686  0.347927  0.399453  1
  Fe  Fe40  1  0.675659  0.276164  0.478011  1
  Fe  Fe41  1  0.675103  0.814441  0.404141  1
  Fe  Fe42  1  0.675858  0.545253  0.441021  1
  Fe  Fe43  1  0.312872  0.213265  0.417756  1
  Fe  Fe44  1  0.313179  0.944187  0.454687  1
  Fe  Fe45  1  0.313526  0.674963  0.491555  1
  Fe  Fe46  1  0.813499  0.410813  0.459550  1
  Fe  Fe47  1  0.813485  0.141551  0.496473  1
  Fe  Fe48  1  0.813124  0.679822  0.422569  1
  Fe  Fe49  1  0.657275  0.094067  0.410360  1
  Fe  Fe50  1  0.657025  0.824967  0.447263  1
  Fe  Fe51  1  0.657415  0.555833  0.484189  1
  Fe  Fe52  1  0.156358  0.068423  0.393112  1
  Fe  Fe53  1  0.157215  0.798974  0.429932  1
  Fe  Fe54  1  0.157253  0.529922  0.466862  1
  Fe  Fe55  1  0.837042  0.295973  0.430748  1
  Fe  Fe56  1  0.837265  0.026716  0.467647  1
  Fe  Fe57  1  0.837847  0.564959  0.393748  1
  Fe  Fe58  1  0.337547  0.328096  0.446550  1
  Fe  Fe59  1  0.337516  0.058926  0.483475  1
  Fe  Fe60  1  0.337344  0.597096  0.409511  1
  Fe  Fe61  1  0.331866  0.395299  0.485337  1
  Fe  Fe62  1  0.330607  0.933586  0.411574  1
  Fe  Fe63  1  0.332078  0.664422  0.448412  1
  Fe  Fe64  1  0.832091  0.421238  0.502674  1
  Fe  Fe65  1  0.831632  0.959527  0.428824  1
  Fe  Fe66  1  0.831873  0.690379  0.465730  1
  Fe  Fe67  1  0.151741  0.193494  0.465028  1
  Fe  Fe68  1  0.151689  0.924310  0.501921  1
  Fe  Fe69  1  0.151802  0.462683  0.428088  1
  Fe  Fe70  1  0.651113  0.161341  0.449202  1
  Fe  Fe71  1  0.651577  0.892202  0.486104  1
  Fe  Fe72  1  0.650991  0.430405  0.412225  1
  Fe  Fe73  1  0.175745  0.271131  0.546933  1
  Fe  Fe74  1  0.176113  1.002124  0.583915  1
  Fe  Fe75  1  0.175763  0.540396  0.510010  1
  Fe  Fe76  1  0.676378  0.468682  0.588727  1
  Fe  Fe77  1  0.675725  1.006984  0.514928  1
  Fe  Fe78  1  0.676069  0.737757  0.551796  1
  Fe  Fe79  1  0.313582  0.405782  0.528472  1
  Fe  Fe80  1  0.313400  0.136692  0.565462  1
  Fe  Fe81  1  0.314146  0.867510  0.602343  1
  Fe  Fe82  1  0.813791  0.603226  0.570267  1
  Fe  Fe83  1  0.813548  0.334014  0.607030  1
  Fe  Fe84  1  0.813432  0.872406  0.533403  1
  Fe  Fe85  1  0.657381  0.286648  0.521146  1
  Fe  Fe86  1  0.657180  1.017527  0.558071  1
  Fe  Fe87  1  0.658648  0.748358  0.594910  1
  Fe  Fe88  1  0.157158  0.260707  0.503810  1
  Fe  Fe89  1  0.157373  0.991566  0.540752  1
  Fe  Fe90  1  0.157611  0.722418  0.577660  1
  Fe  Fe91  1  0.837508  0.488452  0.541455  1
  Fe  Fe92  1  0.837437  0.219268  0.578394  1
  Fe  Fe93  1  0.837556  0.757636  0.504562  1
  Fe  Fe94  1  0.338132  0.520605  0.557281  1
  Fe  Fe95  1  0.338255  0.251539  0.594259  1
  Fe  Fe96  1  0.337673  0.789744  0.520379  1
  Fe  Fe97  1  0.331970  0.587880  0.596124  1
  Fe  Fe98  1  0.331830  0.126112  0.522295  1
  Fe  Fe99  1  0.332222  0.856980  0.559220  1
  Fe  Fe100  1  0.832884  0.613522  0.613371  1
  Fe  Fe101  1  0.831995  0.152024  0.539622  1
  Fe  Fe102  1  0.832027  0.882973  0.576552  1
  Fe  Fe103  1  0.152209  0.385976  0.575736  1
  Fe  Fe104  1  0.151365  0.116986  0.612729  1
  Fe  Fe105  1  0.151978  0.655230  0.538837  1
  Fe  Fe106  1  0.651714  0.353851  0.559932  1
  Fe  Fe107  1  0.651875  0.084853  0.596977  1
  Fe  Fe108  1  0.651728  0.623019  0.523009  1
  Fe  Fe109  1  0.177743  0.464220  0.657571  1
  Fe  Fe110  1  0.165751  0.194741  0.695178  1
  Fe  Fe111  1  0.177729  0.733243  0.620778  1
  Fe  Fe112  1  0.688656  0.665063  0.702025  1
  Fe  Fe113  1  0.676128  0.199701  0.625854  1
  Fe  Fe114  1  0.673944  0.930708  0.662665  1
  Fe  Fe115  1  0.313970  0.599040  0.639384  1
  Fe  Fe116  1  0.313905  0.330392  0.676271  1
  Fe  Fe117  1  0.320629  0.062420  0.716217  1
  Fe  Fe118  1  0.815127  0.795596  0.680448  1
  Fe  Fe119  1  0.822515  0.527821  0.720434  1
  Fe  Fe120  1  0.812659  0.066010  0.644430  1
  Fe  Fe121  1  0.658425  0.479536  0.631867  1
  Fe  Fe122  1  0.654945  0.211075  0.668919  1
  Fe  Fe123  1  0.653172  0.943059  0.705543  1
  Fe  Fe124  1  0.157567  0.453521  0.614565  1
  Fe  Fe125  1  0.155439  0.184347  0.651538  1
  Fe  Fe126  1  0.155086  0.914012  0.688346  1
  Fe  Fe127  1  0.831545  0.681280  0.651638  1
  Fe  Fe128  1  0.840190  0.412947  0.689143  1
  Fe  Fe129  1  0.837637  0.950133  0.615414  1
  Fe  Fe130  1  0.344124  0.712606  0.667989  1
  Fe  Fe131  1  0.344122  0.443186  0.705340  1
  Fe  Fe132  1  0.336100  0.982841  0.631170  1
  Fe  Fe133  1  0.336293  0.778742  0.706921  1
  Fe  Fe134  1  0.331657  0.318971  0.633039  1
  Fe  Fe135  1  0.332444  0.049163  0.670026  1
  Fe  Fe136  1  0.844106  0.806655  0.723255  1
  Fe  Fe137  1  0.832236  0.345647  0.650008  1
  Fe  Fe138  1  0.834382  0.077980  0.688023  1
  Fe  Fe139  1  0.161256  0.578214  0.686428  1
  Fe  Fe140  1  0.151595  0.308817  0.723249  1
  Fe  Fe141  1  0.155548  0.849039  0.649399  1
  Fe  Fe142  1  0.662305  0.546692  0.670371  1
  Fe  Fe143  1  0.654180  0.275725  0.707794  1
  Fe  Fe144  1  0.650937  0.815859  0.633745  1
  C  C145  1  0.534867  0.115786  0.294481  1
  C  C146  1  0.547641  0.845960  0.330773  1
  C  C147  1  0.549289  0.576157  0.367689  1
  C  C148  1  0.047627  0.123591  0.361716  1
  C  C149  1  0.039684  0.665239  0.288163  1
  C  C150  1  0.048453  0.392034  0.325167  1
  C  C151  1  0.933588  0.980145  0.313738  1
  C  C152  1  0.942959  0.710650  0.349224  1
  C  C153  1  0.940976  0.441820  0.386299  1
  C  C154  1  0.439218  0.989376  0.380265  1
  C  C155  1  0.450004  0.527808  0.306615  1
  C  C156  1  0.439112  0.257813  0.343239  1
  C  C157  1  0.548187  0.307261  0.404743  1
  C  C158  1  0.547951  0.038285  0.441653  1
  C  C159  1  0.548268  0.769149  0.478567  1
  C  C160  1  0.048101  0.316553  0.472519  1
  C  C161  1  0.047586  0.854775  0.398651  1
  C  C162  1  0.048255  0.585757  0.435566  1
  C  C163  1  0.940426  0.172889  0.423260  1
  C  C164  1  0.940739  0.903673  0.460112  1
  C  C165  1  0.941031  0.634595  0.497027  1
  C  C166  1  0.441020  0.181964  0.491008  1
  C  C167  1  0.440582  0.720127  0.417086  1
  C  C168  1  0.441030  0.451162  0.454051  1
  C  C169  1  0.548226  0.499981  0.515475  1
  C  C170  1  0.548218  0.230785  0.552432  1
  C  C171  1  0.548663  0.961824  0.589397  1
  C  C172  1  0.048822  0.509060  0.583223  1
  C  C173  1  0.048218  0.047351  0.509455  1
  C  C174  1  0.048507  0.778272  0.546371  1
  C  C175  1  0.941143  0.365392  0.533965  1
  C  C176  1  0.940998  0.096194  0.570917  1
  C  C177  1  0.941664  0.827170  0.607833  1
  C  C178  1  0.441060  0.374686  0.601739  1
  C  C179  1  0.440981  0.912796  0.527916  1
  C  C180  1  0.441294  0.643660  0.564831  1
  C  C181  1  0.550033  0.692566  0.626217  1
  C  C182  1  0.550132  0.424130  0.663243  1
  C  C183  1  0.539244  0.154140  0.699868  1
  C  C184  1  0.055659  0.701827  0.692756  1
  C  C185  1  0.048274  0.240123  0.620185  1
  C  C186  1  0.046288  0.971306  0.657257  1
  C  C187  1  0.941617  0.558358  0.644767  1
  C  C188  1  0.940792  0.289915  0.681319  1
  C  C189  1  0.949562  1.016713  0.718320  1
  C  C190  1  0.454395  0.566168  0.712002  1
  C  C191  1  0.439979  0.105789  0.638799  1
  C  C192  1  0.441589  0.836010  0.675725  1
