# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.76500910
_cell_length_b   7.86232229
_cell_length_c   48.54556646
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.29307448
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe252 C108'
_cell_volume   6691.57120997
_cell_formula_units_Z   36
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  0.272072  0.504046  0.320518  1
  Fe  Fe2  1  0.613150  0.258674  0.343844  1
  Fe  Fe3  1  0.933585  0.740988  0.295928  1
  Fe  Fe4  1  0.129316  0.825389  0.337825  1
  Fe  Fe5  1  0.450065  0.314005  0.290192  1
  Fe  Fe6  1  0.783931  0.058248  0.310198  1
  Fe  Fe7  1  0.176992  0.418505  0.356272  1
  Fe  Fe8  1  0.501485  0.900538  0.308072  1
  Fe  Fe9  1  0.839219  0.657819  0.332037  1
  Fe  Fe10  1  0.131757  0.137651  0.334228  1
  Fe  Fe11  1  0.449829  0.616299  0.287178  1
  Fe  Fe12  1  0.793043  0.378483  0.310312  1
  Fe  Fe13  1  0.128888  0.407853  0.307296  1
  Fe  Fe14  1  0.465965  0.155234  0.331975  1
  Fe  Fe15  1  0.805591  0.915797  0.356300  1
  Fe  Fe16  1  0.383650  0.731606  0.324803  1
  Fe  Fe17  1  0.723760  0.488691  0.349246  1
  Fe  Fe18  1  0.045255  0.973934  0.300991  1
  Fe  Fe19  1  0.368585  0.996712  0.298279  1
  Fe  Fe20  1  0.714388  0.748467  0.322569  1
  Fe  Fe21  1  0.055498  0.503534  0.347676  1
  Fe  Fe22  1  0.350953  0.983030  0.349677  1
  Fe  Fe23  1  0.667811  0.461221  0.301984  1
  Fe  Fe24  1  0.010659  0.222278  0.325907  1
  Fe  Fe25  1  0.279530  0.255742  0.344164  1
  Fe  Fe26  1  0.600895  0.745663  0.296655  1
  Fe  Fe27  1  0.939973  0.491120  0.320147  1
  Fe  Fe28  1  0.237839  0.992063  0.321163  1
  Fe  Fe29  1  0.577219  0.745384  0.344436  1
  Fe  Fe30  1  0.898521  0.228625  0.297531  1
  Fe  Fe31  1  0.243428  0.743400  0.345698  1
  Fe  Fe32  1  0.566151  0.228429  0.297827  1
  Fe  Fe33  1  0.903634  0.980439  0.321514  1
  Fe  Fe34  1  0.387274  0.421367  0.328441  1
  Fe  Fe35  1  0.729063  0.174814  0.351693  1
  Fe  Fe36  1  0.048695  0.659917  0.303922  1
  Fe  Fe37  1  0.193241  0.709999  0.299069  1
  Fe  Fe38  1  0.533937  0.473265  0.322295  1
  Fe  Fe39  1  0.872965  0.228265  0.346524  1
  Fe  Fe40  1  0.302528  0.250098  0.295105  1
  Fe  Fe41  1  0.644415  0.015007  0.318553  1
  Fe  Fe42  1  0.983005  0.769845  0.342579  1
  Fe  Fe43  1  0.292626  0.775393  0.390237  1
  Fe  Fe44  1  0.631999  0.534613  0.414604  1
  Fe  Fe45  1  0.952537  0.015475  0.366487  1
  Fe  Fe46  1  0.147902  0.098080  0.408110  1
  Fe  Fe47  1  0.468626  0.580346  0.360537  1
  Fe  Fe48  1  0.808267  0.339213  0.384338  1
  Fe  Fe49  1  0.199369  0.696592  0.427354  1
  Fe  Fe50  1  0.518329  0.177947  0.379486  1
  Fe  Fe51  1  0.859829  0.936048  0.403747  1
  Fe  Fe52  1  0.152879  0.409448  0.406125  1
  Fe  Fe53  1  0.473002  0.894358  0.358135  1
  Fe  Fe54  1  0.812772  0.649902  0.382357  1
  Fe  Fe55  1  0.144209  0.670014  0.380725  1
  Fe  Fe56  1  0.485324  0.432995  0.403639  1
  Fe  Fe57  1  0.825201  0.191978  0.427906  1
  Fe  Fe58  1  0.402472  0.000393  0.397087  1
  Fe  Fe59  1  0.742640  0.761269  0.420761  1
  Fe  Fe60  1  0.061854  0.239906  0.373387  1
  Fe  Fe61  1  0.397052  0.263411  0.371363  1
  Fe  Fe62  1  0.735728  0.022962  0.394873  1
  Fe  Fe63  1  0.075296  0.784409  0.418681  1
  Fe  Fe64  1  0.368631  0.258306  0.421261  1
  Fe  Fe65  1  0.689747  0.740147  0.373430  1
  Fe  Fe66  1  0.028467  0.497617  0.397411  1
  Fe  Fe67  1  0.299540  0.530292  0.415119  1
  Fe  Fe68  1  0.619867  0.011415  0.367472  1
  Fe  Fe69  1  0.958859  0.770755  0.391335  1
  Fe  Fe70  1  0.256922  0.262126  0.391718  1
  Fe  Fe71  1  0.597394  0.021915  0.415721  1
  Fe  Fe72  1  0.917349  0.502738  0.367924  1
  Fe  Fe73  1  0.264033  0.016124  0.416244  1
  Fe  Fe74  1  0.583902  0.499107  0.368631  1
  Fe  Fe75  1  0.924345  0.259015  0.392846  1
  Fe  Fe76  1  0.408566  0.693214  0.398294  1
  Fe  Fe77  1  0.748055  0.452322  0.422604  1
  Fe  Fe78  1  0.067882  0.933932  0.374638  1
  Fe  Fe79  1  0.213862  0.989989  0.370286  1
  Fe  Fe80  1  0.553294  0.749072  0.393988  1
  Fe  Fe81  1  0.893557  0.507757  0.417926  1
  Fe  Fe82  1  0.323378  0.530697  0.366311  1
  Fe  Fe83  1  0.663415  0.288724  0.390068  1
  Fe  Fe84  1  0.003204  0.048116  0.414048  1
  Fe  Fe85  1  0.312333  0.054289  0.462355  1
  Fe  Fe86  1  0.651901  0.812693  0.485984  1
  Fe  Fe87  1  0.972418  0.295096  0.438620  1
  Fe  Fe88  1  0.168258  0.376857  0.479739  1
  Fe  Fe89  1  0.487740  0.857773  0.431832  1
  Fe  Fe90  1  0.828412  0.618069  0.456170  1
  Fe  Fe91  1  0.218453  0.973170  0.498813  1
  Fe  Fe92  1  0.538747  0.455043  0.451008  1
  Fe  Fe93  1  0.878084  0.214148  0.474995  1
  Fe  Fe94  1  0.172239  0.689435  0.477373  1
  Fe  Fe95  1  0.492476  0.170496  0.429740  1
  Fe  Fe96  1  0.832154  0.929660  0.453553  1
  Fe  Fe97  1  0.165480  0.952275  0.451442  1
  Fe  Fe98  1  0.505229  0.710891  0.475215  1
  Fe  Fe99  1  0.844874  0.469143  0.499198  1
  Fe  Fe100  1  0.422703  0.280760  0.468355  1
  Fe  Fe101  1  0.762436  0.039300  0.492064  1
  Fe  Fe102  1  0.083003  0.522031  0.444449  1
  Fe  Fe103  1  0.415069  0.543211  0.442388  1
  Fe  Fe104  1  0.755020  0.302169  0.466232  1
  Fe  Fe105  1  0.095646  0.060128  0.490199  1
  Fe  Fe106  1  0.389405  0.535780  0.492621  1
  Fe  Fe107  1  0.708807  0.016623  0.444931  1
  Fe  Fe108  1  0.049234  0.776403  0.468798  1
  Fe  Fe109  1  0.319181  0.808102  0.486627  1
  Fe  Fe110  1  0.638898  0.287995  0.438698  1
  Fe  Fe111  1  0.979416  0.049395  0.462928  1
  Fe  Fe112  1  0.277246  0.541583  0.463656  1
  Fe  Fe113  1  0.617081  0.300024  0.487258  1
  Fe  Fe114  1  0.937286  0.782134  0.439665  1
  Fe  Fe115  1  0.283840  0.295590  0.487969  1
  Fe  Fe116  1  0.603686  0.775952  0.440089  1
  Fe  Fe117  1  0.943874  0.536002  0.464011  1
  Fe  Fe118  1  0.428076  0.971716  0.470349  1
  Fe  Fe119  1  0.767735  0.730796  0.494179  1
  Fe  Fe120  1  0.088298  0.212870  0.446733  1
  Fe  Fe121  1  0.233388  0.267668  0.441760  1
  Fe  Fe122  1  0.573065  0.026268  0.465516  1
  Fe  Fe123  1  0.913335  0.785715  0.489244  1
  Fe  Fe124  1  0.343265  0.807894  0.437776  1
  Fe  Fe125  1  0.683109  0.566077  0.461504  1
  Fe  Fe126  1  0.023163  0.325404  0.485357  1
  Fe  Fe127  1  0.332077  0.330496  0.533693  1
  Fe  Fe128  1  0.671690  0.089813  0.557260  1
  Fe  Fe129  1  0.992160  0.571711  0.509763  1
  Fe  Fe130  1  0.187959  0.653443  0.551108  1
  Fe  Fe131  1  0.507985  0.135717  0.503455  1
  Fe  Fe132  1  0.848023  0.894793  0.527298  1
  Fe  Fe133  1  0.238979  0.250719  0.570302  1
  Fe  Fe134  1  0.558383  0.732005  0.522527  1
  Fe  Fe135  1  0.898995  0.492299  0.546339  1
  Fe  Fe136  1  0.192305  0.965520  0.548895  1
  Fe  Fe137  1  0.512206  0.447961  0.501143  1
  Fe  Fe138  1  0.852101  0.207080  0.524907  1
  Fe  Fe139  1  0.184877  0.227918  0.523094  1
  Fe  Fe140  1  0.525011  0.987188  0.546819  1
  Fe  Fe141  1  0.864955  0.747014  0.570484  1
  Fe  Fe142  1  0.442288  0.556984  0.539892  1
  Fe  Fe143  1  0.782135  0.316237  0.563617  1
  Fe  Fe144  1  0.102450  0.797767  0.516002  1
  Fe  Fe145  1  0.435230  0.819233  0.513971  1
  Fe  Fe146  1  0.775472  0.578806  0.537740  1
  Fe  Fe147  1  0.114886  0.338869  0.561515  1
  Fe  Fe148  1  0.408700  0.812280  0.564112  1
  Fe  Fe149  1  0.728958  0.294154  0.516293  1
  Fe  Fe150  1  0.068638  0.053470  0.540249  1
  Fe  Fe151  1  0.338858  0.084228  0.557996  1
  Fe  Fe152  1  0.658751  0.566968  0.510306  1
  Fe  Fe153  1  0.998946  0.326083  0.534069  1
  Fe  Fe154  1  0.297010  0.817772  0.534881  1
  Fe  Fe155  1  0.636895  0.576985  0.558586  1
  Fe  Fe156  1  0.957030  0.058935  0.510961  1
  Fe  Fe157  1  0.303739  0.571735  0.559304  1
  Fe  Fe158  1  0.623778  0.053810  0.511572  1
  Fe  Fe159  1  0.963621  0.813668  0.535446  1
  Fe  Fe160  1  0.447859  0.248180  0.541712  1
  Fe  Fe161  1  0.787699  0.007740  0.565481  1
  Fe  Fe162  1  0.108125  0.489210  0.517816  1
  Fe  Fe163  1  0.253033  0.544157  0.513207  1
  Fe  Fe164  1  0.592950  0.303304  0.537043  1
  Fe  Fe165  1  0.932801  0.063217  0.560559  1
  Fe  Fe166  1  0.363168  0.084596  0.509264  1
  Fe  Fe167  1  0.703040  0.843448  0.532916  1
  Fe  Fe168  1  0.043252  0.602654  0.556732  1
  Fe  Fe169  1  0.352127  0.608600  0.605217  1
  Fe  Fe170  1  0.691515  0.368950  0.628747  1
  Fe  Fe171  1  0.012287  0.850473  0.581375  1
  Fe  Fe172  1  0.208021  0.931182  0.622630  1
  Fe  Fe173  1  0.527888  0.412832  0.574911  1
  Fe  Fe174  1  0.867878  0.173032  0.598649  1
  Fe  Fe175  1  0.257648  0.527290  0.641697  1
  Fe  Fe176  1  0.578576  0.009174  0.593963  1
  Fe  Fe177  1  0.917803  0.769235  0.617624  1
  Fe  Fe178  1  0.211934  0.243717  0.620190  1
  Fe  Fe179  1  0.532290  0.724657  0.572682  1
  Fe  Fe180  1  0.871589  0.485851  0.595930  1
  Fe  Fe181  1  0.204934  0.505401  0.594442  1
  Fe  Fe182  1  0.545615  0.267225  0.618195  1
  Fe  Fe183  1  0.884470  0.023199  0.641899  1
  Fe  Fe184  1  0.462788  0.835072  0.610950  1
  Fe  Fe185  1  0.801783  0.594336  0.635248  1
  Fe  Fe186  1  0.122790  0.077629  0.586726  1
  Fe  Fe187  1  0.454802  0.097288  0.585504  1
  Fe  Fe188  1  0.794937  0.856290  0.609066  1
  Fe  Fe189  1  0.135035  0.613921  0.633090  1
  Fe  Fe190  1  0.428996  0.090178  0.635499  1
  Fe  Fe191  1  0.747975  0.572322  0.587919  1
  Fe  Fe192  1  0.088236  0.331470  0.611649  1
  Fe  Fe193  1  0.358764  0.361086  0.629562  1
  Fe  Fe194  1  0.678905  0.844260  0.581750  1
  Fe  Fe195  1  0.018753  0.603431  0.605587  1
  Fe  Fe196  1  0.317296  0.096350  0.606125  1
  Fe  Fe197  1  0.656773  0.855806  0.630297  1
  Fe  Fe198  1  0.976645  0.337574  0.582418  1
  Fe  Fe199  1  0.323356  0.848886  0.630783  1
  Fe  Fe200  1  0.643622  0.330809  0.582877  1
  Fe  Fe201  1  0.983186  0.091142  0.606771  1
  Fe  Fe202  1  0.467565  0.526905  0.613392  1
  Fe  Fe203  1  0.807606  0.285689  0.636947  1
  Fe  Fe204  1  0.127686  0.767758  0.589432  1
  Fe  Fe205  1  0.272945  0.821551  0.584617  1
  Fe  Fe206  1  0.613100  0.580331  0.608350  1
  Fe  Fe207  1  0.952629  0.340372  0.632186  1
  Fe  Fe208  1  0.383190  0.361724  0.580754  1
  Fe  Fe209  1  0.723179  0.121642  0.604064  1
  Fe  Fe210  1  0.062934  0.879620  0.628241  1
  Fe  Fe211  1  0.371675  0.882859  0.676157  1
  Fe  Fe212  1  0.711646  0.640590  0.700501  1
  Fe  Fe213  1  0.031983  0.125663  0.652170  1
  Fe  Fe214  1  0.225751  0.205605  0.693880  1
  Fe  Fe215  1  0.548528  0.692743  0.646581  1
  Fe  Fe216  1  0.886853  0.447477  0.669604  1
  Fe  Fe217  1  0.280024  0.814427  0.712922  1
  Fe  Fe218  1  0.597541  0.286123  0.665139  1
  Fe  Fe219  1  0.939701  0.048030  0.689518  1
  Fe  Fe220  1  0.234276  0.518762  0.693027  1
  Fe  Fe221  1  0.551522  0.004047  0.643436  1
  Fe  Fe222  1  0.893027  0.760268  0.668106  1
  Fe  Fe223  1  0.223852  0.777867  0.666031  1
  Fe  Fe224  1  0.562285  0.530240  0.690476  1
  Fe  Fe225  1  0.899917  0.302710  0.713599  1
  Fe  Fe226  1  0.481230  0.108316  0.683994  1
  Fe  Fe227  1  0.819968  0.870734  0.707897  1
  Fe  Fe228  1  0.140697  0.349598  0.659348  1
  Fe  Fe229  1  0.475528  0.371356  0.656946  1
  Fe  Fe230  1  0.815432  0.129439  0.680494  1
  Fe  Fe231  1  0.156580  0.903919  0.704260  1
  Fe  Fe232  1  0.444323  0.372692  0.707618  1
  Fe  Fe233  1  0.769615  0.849943  0.659011  1
  Fe  Fe234  1  0.106256  0.610418  0.683813  1
  Fe  Fe235  1  0.376843  0.627899  0.701126  1
  Fe  Fe236  1  0.698763  0.122096  0.653096  1
  Fe  Fe237  1  0.036539  0.871804  0.677078  1
  Fe  Fe238  1  0.336719  0.370423  0.677154  1
  Fe  Fe239  1  0.673598  0.122085  0.702548  1
  Fe  Fe240  1  0.995860  0.612762  0.653605  1
  Fe  Fe241  1  0.344777  0.117836  0.702347  1
  Fe  Fe242  1  0.663473  0.610183  0.654711  1
  Fe  Fe243  1  0.004533  0.361636  0.678474  1
  Fe  Fe244  1  0.487076  0.801976  0.684396  1
  Fe  Fe245  1  0.827047  0.558317  0.708404  1
  Fe  Fe246  1  0.147038  0.042980  0.660152  1
  Fe  Fe247  1  0.294292  0.102956  0.654858  1
  Fe  Fe248  1  0.632445  0.857942  0.679435  1
  Fe  Fe249  1  0.971771  0.621143  0.706445  1
  Fe  Fe250  1  0.402267  0.639218  0.651768  1
  Fe  Fe251  1  0.741683  0.401145  0.674244  1
  Fe  Fe252  1  0.082746  0.164074  0.702502  1
  C  C253  1  0.293456  0.810578  0.311355  1
  C  C254  1  0.634970  0.567699  0.334525  1
  C  C255  1  0.954290  0.048240  0.287314  1
  C  C256  1  0.361312  0.175427  0.324706  1
  C  C257  1  0.700919  0.929418  0.347830  1
  C  C258  1  0.022581  0.413791  0.300764  1
  C  C259  1  0.349786  0.487745  0.293554  1
  C  C260  1  0.692899  0.251884  0.317289  1
  C  C261  1  0.031869  0.005922  0.339845  1
  C  C262  1  0.153278  0.597892  0.332407  1
  C  C263  1  0.493981  0.354041  0.355061  1
  C  C264  1  0.813902  0.834561  0.308002  1
  C  C265  1  0.145804  0.912833  0.300960  1
  C  C266  1  0.484790  0.673634  0.324006  1
  C  C267  1  0.824723  0.430134  0.347670  1
  C  C268  1  0.211210  0.282160  0.314309  1
  C  C269  1  0.551606  0.037419  0.337589  1
  C  C270  1  0.872929  0.518615  0.289965  1
  C  C271  1  0.315197  0.084769  0.382158  1
  C  C272  1  0.654668  0.843185  0.405916  1
  C  C273  1  0.974349  0.323037  0.358385  1
  C  C274  1  0.380469  0.447143  0.395583  1
  C  C275  1  0.720626  0.206320  0.419417  1
  C  C276  1  0.040130  0.687774  0.371988  1
  C  C277  1  0.372235  0.766797  0.363666  1
  C  C278  1  0.711458  0.525665  0.388004  1
  C  C279  1  0.051778  0.284704  0.412028  1
  C  C280  1  0.173486  0.871661  0.403053  1
  C  C281  1  0.513267  0.631226  0.426847  1
  C  C282  1  0.834231  0.112735  0.379735  1
  C  C283  1  0.164209  0.189716  0.371484  1
  C  C284  1  0.504908  0.950690  0.395315  1
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  C  C320  1  0.544306  0.504566  0.538295  1
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  C  C329  1  0.780003  0.039894  0.633583  1
  C  C330  1  0.100369  0.521730  0.586246  1
  C  C331  1  0.431442  0.598491  0.578597  1
  C  C332  1  0.771195  0.358694  0.602291  1
  C  C333  1  0.111085  0.116213  0.625462  1
  C  C334  1  0.232953  0.704199  0.617521  1
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  C  C339  1  0.903582  0.541111  0.633125  1
  C  C340  1  0.290504  0.386766  0.599648  1
  C  C341  1  0.630650  0.146409  0.623073  1
  C  C342  1  0.950681  0.628784  0.575608  1
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  C  C347  1  0.795913  0.314187  0.703966  1
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  C  C355  1  0.243061  0.299840  0.657452  1
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  C  C358  1  0.309919  0.660816  0.671150  1
  C  C359  1  0.650415  0.418833  0.694540  1
  C  C360  1  0.969932  0.904064  0.646970  1
