# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49288141
_cell_length_b   17.67008489
_cell_length_c   51.06742984
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe252 C108'
_cell_volume   5858.95426117
_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  0.941824  0.318994  0.359194  1
  Fe  Fe2  1  0.942405  0.105944  0.414870  1
  Fe  Fe3  1  0.941431  0.532595  0.303692  1
  Fe  Fe4  1  0.558412  0.248855  0.403896  1
  Fe  Fe5  1  0.555212  0.675698  0.293486  1
  Fe  Fe6  1  0.558760  0.462149  0.348330  1
  Fe  Fe7  1  0.442135  0.124638  0.306235  1
  Fe  Fe8  1  0.442791  0.911000  0.361482  1
  Fe  Fe9  1  0.435487  0.337602  0.250758  1
  Fe  Fe10  1  0.055575  0.194726  0.261441  1
  Fe  Fe11  1  0.061364  0.981661  0.316583  1
  Fe  Fe12  1  0.057502  0.768315  0.372448  1
  Fe  Fe13  1  0.249895  0.235729  0.380603  1
  Fe  Fe14  1  0.249895  0.660947  0.269771  1
  Fe  Fe15  1  0.249895  0.448896  0.325167  1
  Fe  Fe16  1  0.249895  0.379892  0.370063  1
  Fe  Fe17  1  0.249895  0.804183  0.259344  1
  Fe  Fe18  1  0.249895  0.592928  0.314505  1
  Fe  Fe19  1  0.749895  0.208394  0.284330  1
  Fe  Fe20  1  0.749895  0.993796  0.340318  1
  Fe  Fe21  1  0.749895  0.781471  0.395874  1
  Fe  Fe22  1  0.749895  0.062473  0.295499  1
  Fe  Fe23  1  0.749895  0.851614  0.350477  1
  Fe  Fe24  1  0.749895  0.637281  0.406343  1
  Fe  Fe25  1  0.249895  0.957348  0.250464  1
  Fe  Fe26  1  0.249895  0.747073  0.306755  1
  Fe  Fe27  1  0.249895  0.534144  0.362240  1
  Fe  Fe28  1  0.249895  0.300975  0.331659  1
  Fe  Fe29  1  0.249895  0.087196  0.386901  1
  Fe  Fe30  1  0.249895  0.516703  0.275865  1
  Fe  Fe31  1  0.749895  0.483385  0.414170  1
  Fe  Fe32  1  0.749895  0.909837  0.302888  1
  Fe  Fe33  1  0.749895  0.697324  0.358890  1
  Fe  Fe34  1  0.749895  0.142248  0.333943  1
  Fe  Fe35  1  0.749895  0.929842  0.389314  1
  Fe  Fe36  1  0.749895  0.356298  0.277965  1
  Fe  Fe37  1  0.249895  0.070132  0.274291  1
  Fe  Fe38  1  0.249895  0.855239  0.330874  1
  Fe  Fe39  1  0.249895  0.641926  0.386361  1
  Fe  Fe40  1  0.249895  0.264238  0.289146  1
  Fe  Fe41  1  0.249895  0.050510  0.344351  1
  Fe  Fe42  1  0.249895  0.837665  0.399867  1
  Fe  Fe43  1  0.749895  0.375141  0.390082  1
  Fe  Fe44  1  0.749895  0.800844  0.277047  1
  Fe  Fe45  1  0.749895  0.588357  0.334695  1
  Fe  Fe46  1  0.749895  0.179131  0.376500  1
  Fe  Fe47  1  0.749895  0.611621  0.263819  1
  Fe  Fe48  1  0.749895  0.393475  0.320746  1
  Fe  Fe49  1  0.941378  0.248855  0.403896  1
  Fe  Fe50  1  0.944579  0.675698  0.293486  1
  Fe  Fe51  1  0.941030  0.462149  0.348330  1
  Fe  Fe52  1  0.557966  0.318994  0.359194  1
  Fe  Fe53  1  0.557385  0.105944  0.414870  1
  Fe  Fe54  1  0.558360  0.532595  0.303692  1
  Fe  Fe55  1  0.444216  0.194726  0.261441  1
  Fe  Fe56  1  0.438426  0.981661  0.316583  1
  Fe  Fe57  1  0.442288  0.768315  0.372448  1
  Fe  Fe58  1  0.057656  0.124638  0.306235  1
  Fe  Fe59  1  0.056999  0.911000  0.361482  1
  Fe  Fe60  1  0.064303  0.337602  0.250758  1
  Fe  Fe61  1  0.071875  0.453495  0.400596  1
  Fe  Fe62  1  0.074420  0.881025  0.289332  1
  Fe  Fe63  1  0.072096  0.666725  0.345188  1
  Fe  Fe64  1  0.428082  0.171723  0.347614  1
  Fe  Fe65  1  0.427692  0.959115  0.403069  1
  Fe  Fe66  1  0.427279  0.386243  0.292049  1
  Fe  Fe67  1  0.570457  0.990523  0.264092  1
  Fe  Fe68  1  0.572903  0.777199  0.320335  1
  Fe  Fe69  1  0.572027  0.563610  0.375811  1
  Fe  Fe70  1  0.927048  0.271200  0.317755  1
  Fe  Fe71  1  0.927769  0.057973  0.373236  1
  Fe  Fe72  1  0.925330  0.484847  0.261695  1
  Fe  Fe73  1  0.929334  0.990523  0.264092  1
  Fe  Fe74  1  0.926887  0.777199  0.320335  1
  Fe  Fe75  1  0.927763  0.563610  0.375811  1
  Fe  Fe76  1  0.572742  0.271200  0.317755  1
  Fe  Fe77  1  0.572021  0.057973  0.373236  1
  Fe  Fe78  1  0.574460  0.484847  0.261695  1
  Fe  Fe79  1  0.427915  0.453495  0.400596  1
  Fe  Fe80  1  0.425370  0.881025  0.289332  1
  Fe  Fe81  1  0.427694  0.666725  0.345188  1
  Fe  Fe82  1  0.071708  0.171723  0.347614  1
  Fe  Fe83  1  0.072098  0.959115  0.403069  1
  Fe  Fe84  1  0.072512  0.386243  0.292049  1
  Fe  Fe85  1  0.942218  0.680001  0.525862  1
  Fe  Fe86  1  0.942292  0.466861  0.581298  1
  Fe  Fe87  1  0.942333  0.893016  0.470309  1
  Fe  Fe88  1  0.558208  0.609796  0.570502  1
  Fe  Fe89  1  0.558175  0.035869  0.459423  1
  Fe  Fe90  1  0.558522  0.822782  0.514985  1
  Fe  Fe91  1  0.442218  0.484931  0.472670  1
  Fe  Fe92  1  0.442333  0.271916  0.528222  1
  Fe  Fe93  1  0.442292  0.698071  0.417234  1
  Fe  Fe94  1  0.058208  0.555137  0.428030  1
  Fe  Fe95  1  0.058522  0.342151  0.483546  1
  Fe  Fe96  1  0.058175  0.129063  0.539109  1
  Fe  Fe97  1  0.249895  0.596942  0.547065  1
  Fe  Fe98  1  0.249895  0.022823  0.436081  1
  Fe  Fe99  1  0.249895  0.809803  0.491621  1
  Fe  Fe100  1  0.249895  0.740784  0.536690  1
  Fe  Fe101  1  0.249895  0.166757  0.425668  1
  Fe  Fe102  1  0.249895  0.953677  0.481175  1
  Fe  Fe103  1  0.749895  0.567990  0.451466  1
  Fe  Fe104  1  0.749895  0.355129  0.506910  1
  Fe  Fe105  1  0.749895  0.142109  0.562451  1
  Fe  Fe106  1  0.749895  0.424148  0.461842  1
  Fe  Fe107  1  0.749895  0.211255  0.517356  1
  Fe  Fe108  1  0.749895  0.998175  0.572864  1
  Fe  Fe109  1  0.249895  0.320962  0.417720  1
  Fe  Fe110  1  0.249895  0.107615  0.473339  1
  Fe  Fe111  1  0.249895  0.894695  0.528831  1
  Fe  Fe112  1  0.249895  0.661371  0.498058  1
  Fe  Fe113  1  0.249895  0.448319  0.553583  1
  Fe  Fe114  1  0.249895  0.874472  0.442612  1
  Fe  Fe115  1  0.749895  0.843971  0.580812  1
  Fe  Fe116  1  0.749895  0.270237  0.469701  1
  Fe  Fe117  1  0.749895  0.057317  0.525193  1
  Fe  Fe118  1  0.749895  0.503561  0.500473  1
  Fe  Fe119  1  0.749895  0.290461  0.555920  1
  Fe  Fe120  1  0.749895  0.716613  0.444949  1
  Fe  Fe121  1  0.249895  0.429066  0.441733  1
  Fe  Fe122  1  0.249895  0.215909  0.497383  1
  Fe  Fe123  1  0.249895  0.002899  0.552842  1
  Fe  Fe124  1  0.249895  0.624660  0.455397  1
  Fe  Fe125  1  0.249895  0.411422  0.510982  1
  Fe  Fe126  1  0.249895  0.198312  0.566546  1
  Fe  Fe127  1  0.749895  0.735866  0.556798  1
  Fe  Fe128  1  0.749895  0.162033  0.445690  1
  Fe  Fe129  1  0.749895  0.949023  0.501148  1
  Fe  Fe130  1  0.749895  0.540272  0.543134  1
  Fe  Fe131  1  0.749895  0.966620  0.431985  1
  Fe  Fe132  1  0.749895  0.753510  0.487549  1
  Fe  Fe133  1  0.941582  0.609796  0.570502  1
  Fe  Fe134  1  0.941615  0.035869  0.459423  1
  Fe  Fe135  1  0.941269  0.822782  0.514985  1
  Fe  Fe136  1  0.557572  0.680001  0.525862  1
  Fe  Fe137  1  0.557498  0.466861  0.581298  1
  Fe  Fe138  1  0.557457  0.893016  0.470309  1
  Fe  Fe139  1  0.441582  0.555137  0.428030  1
  Fe  Fe140  1  0.441269  0.342151  0.483546  1
  Fe  Fe141  1  0.441615  0.129063  0.539109  1
  Fe  Fe142  1  0.057572  0.484931  0.472670  1
  Fe  Fe143  1  0.057457  0.271916  0.528222  1
  Fe  Fe144  1  0.057498  0.698071  0.417234  1
  Fe  Fe145  1  0.072103  0.814504  0.567254  1
  Fe  Fe146  1  0.072038  0.240698  0.456153  1
  Fe  Fe147  1  0.071983  0.027498  0.511644  1
  Fe  Fe148  1  0.427611  0.532932  0.514109  1
  Fe  Fe149  1  0.427561  0.319833  0.569732  1
  Fe  Fe150  1  0.427556  0.746062  0.458626  1
  Fe  Fe151  1  0.572103  0.350429  0.431278  1
  Fe  Fe152  1  0.571983  0.137434  0.486887  1
  Fe  Fe153  1  0.572038  0.924234  0.542379  1
  Fe  Fe154  1  0.927611  0.632000  0.484423  1
  Fe  Fe155  1  0.927556  0.418870  0.539906  1
  Fe  Fe156  1  0.927561  0.845099  0.428799  1
  Fe  Fe157  1  0.927687  0.350429  0.431278  1
  Fe  Fe158  1  0.927808  0.137434  0.486887  1
  Fe  Fe159  1  0.927752  0.924234  0.542379  1
  Fe  Fe160  1  0.572180  0.632000  0.484423  1
  Fe  Fe161  1  0.572234  0.418870  0.539906  1
  Fe  Fe162  1  0.572229  0.845099  0.428799  1
  Fe  Fe163  1  0.427687  0.814504  0.567254  1
  Fe  Fe164  1  0.427752  0.240698  0.456153  1
  Fe  Fe165  1  0.427808  0.027498  0.511644  1
  Fe  Fe166  1  0.072180  0.532932  0.514109  1
  Fe  Fe167  1  0.072229  0.319833  0.569732  1
  Fe  Fe168  1  0.072234  0.746062  0.458626  1
  Fe  Fe169  1  0.942135  0.040294  0.692296  1
  Fe  Fe170  1  0.935487  0.827330  0.747774  1
  Fe  Fe171  1  0.942791  0.253932  0.637050  1
  Fe  Fe172  1  0.555575  0.970206  0.737090  1
  Fe  Fe173  1  0.557502  0.396617  0.626084  1
  Fe  Fe174  1  0.561364  0.183271  0.681949  1
  Fe  Fe175  1  0.441824  0.845938  0.639337  1
  Fe  Fe176  1  0.441431  0.632337  0.694840  1
  Fe  Fe177  1  0.442405  0.058988  0.583662  1
  Fe  Fe178  1  0.058412  0.916077  0.594636  1
  Fe  Fe179  1  0.058760  0.702783  0.650201  1
  Fe  Fe180  1  0.055212  0.489234  0.705046  1
  Fe  Fe181  1  0.249895  0.956538  0.714202  1
  Fe  Fe182  1  0.249895  0.383461  0.602658  1
  Fe  Fe183  1  0.249895  0.171136  0.658213  1
  Fe  Fe184  1  0.249895  0.102460  0.703032  1
  Fe  Fe185  1  0.249895  0.527651  0.592188  1
  Fe  Fe186  1  0.249895  0.313318  0.648055  1
  Fe  Fe187  1  0.749895  0.929204  0.617929  1
  Fe  Fe188  1  0.749895  0.716036  0.673364  1
  Fe  Fe189  1  0.749895  0.503985  0.728761  1
  Fe  Fe190  1  0.749895  0.785040  0.628469  1
  Fe  Fe191  1  0.749895  0.572004  0.684027  1
  Fe  Fe192  1  0.749895  0.360749  0.739188  1
  Fe  Fe193  1  0.249895  0.681548  0.584362  1
  Fe  Fe194  1  0.249895  0.467608  0.639642  1
  Fe  Fe195  1  0.249895  0.255095  0.695643  1
  Fe  Fe196  1  0.249895  0.022684  0.664589  1
  Fe  Fe197  1  0.249895  0.808634  0.720567  1
  Fe  Fe198  1  0.249895  0.235090  0.609218  1
  Fe  Fe199  1  0.749895  0.207584  0.748068  1
  Fe  Fe200  1  0.749895  0.630788  0.636291  1
  Fe  Fe201  1  0.749895  0.417859  0.691776  1
  Fe  Fe202  1  0.749895  0.863957  0.666873  1
  Fe  Fe203  1  0.749895  0.648229  0.722667  1
  Fe  Fe204  1  0.749895  0.077736  0.611631  1
  Fe  Fe205  1  0.249895  0.789791  0.608449  1
  Fe  Fe206  1  0.249895  0.576575  0.663837  1
  Fe  Fe207  1  0.249895  0.364088  0.721484  1
  Fe  Fe208  1  0.249895  0.985801  0.622032  1
  Fe  Fe209  1  0.249895  0.771458  0.677786  1
  Fe  Fe210  1  0.249895  0.553312  0.734713  1
  Fe  Fe211  1  0.749895  0.094800  0.724240  1
  Fe  Fe212  1  0.749895  0.523006  0.612170  1
  Fe  Fe213  1  0.749895  0.309693  0.667658  1
  Fe  Fe214  1  0.749895  0.900694  0.709385  1
  Fe  Fe215  1  0.749895  0.327267  0.598664  1
  Fe  Fe216  1  0.749895  0.114422  0.654181  1
  Fe  Fe217  1  0.944216  0.970206  0.737090  1
  Fe  Fe218  1  0.942288  0.396617  0.626084  1
  Fe  Fe219  1  0.938426  0.183271  0.681949  1
  Fe  Fe220  1  0.557656  0.040294  0.692296  1
  Fe  Fe221  1  0.564303  0.827330  0.747774  1
  Fe  Fe222  1  0.556999  0.253932  0.637050  1
  Fe  Fe223  1  0.441378  0.916077  0.594636  1
  Fe  Fe224  1  0.441030  0.702783  0.650201  1
  Fe  Fe225  1  0.444579  0.489234  0.705046  1
  Fe  Fe226  1  0.057966  0.845938  0.639337  1
  Fe  Fe227  1  0.058360  0.632337  0.694840  1
  Fe  Fe228  1  0.057385  0.058988  0.583662  1
  Fe  Fe229  1  0.070457  0.174409  0.734440  1
  Fe  Fe230  1  0.072027  0.601323  0.622721  1
  Fe  Fe231  1  0.072903  0.387733  0.678196  1
  Fe  Fe232  1  0.427048  0.893732  0.680776  1
  Fe  Fe233  1  0.425330  0.680085  0.736836  1
  Fe  Fe234  1  0.427769  0.106959  0.625295  1
  Fe  Fe235  1  0.571875  0.711438  0.597935  1
  Fe  Fe236  1  0.572096  0.498207  0.653343  1
  Fe  Fe237  1  0.574420  0.283907  0.709200  1
  Fe  Fe238  1  0.928082  0.993209  0.650918  1
  Fe  Fe239  1  0.927279  0.778689  0.706482  1
  Fe  Fe240  1  0.927692  0.205817  0.595463  1
  Fe  Fe241  1  0.927915  0.711438  0.597935  1
  Fe  Fe242  1  0.927694  0.498207  0.653343  1
  Fe  Fe243  1  0.925370  0.283907  0.709200  1
  Fe  Fe244  1  0.571708  0.993209  0.650918  1
  Fe  Fe245  1  0.572512  0.778689  0.706482  1
  Fe  Fe246  1  0.572098  0.205817  0.595463  1
  Fe  Fe247  1  0.429334  0.174409  0.734440  1
  Fe  Fe248  1  0.427763  0.601323  0.622721  1
  Fe  Fe249  1  0.426887  0.387733  0.678196  1
  Fe  Fe250  1  0.072742  0.893732  0.680776  1
  Fe  Fe251  1  0.074460  0.680085  0.736836  1
  Fe  Fe252  1  0.072021  0.106959  0.625295  1
  C  C253  1  0.749895  0.244754  0.346505  1
  C  C254  1  0.749895  0.032212  0.401986  1
  C  C255  1  0.749895  0.458720  0.290657  1
  C  C256  1  0.749895  0.476656  0.376619  1
  C  C257  1  0.749895  0.904151  0.265313  1
  C  C258  1  0.749895  0.690029  0.321371  1
  C  C259  1  0.249895  0.198571  0.319024  1
  C  C260  1  0.249895  0.984728  0.374296  1
  C  C261  1  0.249895  0.414016  0.263477  1
  C  C262  1  0.249895  0.968646  0.287900  1
  C  C263  1  0.249895  0.753687  0.344303  1
  C  C264  1  0.249895  0.540403  0.399808  1
  C  C265  1  0.034264  0.375078  0.329152  1
  C  C266  1  0.035007  0.161714  0.384775  1
  C  C267  1  0.029491  0.588988  0.273511  1
  C  C268  1  0.464579  0.347581  0.393514  1
  C  C269  1  0.466193  0.774871  0.282957  1
  C  C270  1  0.464428  0.560862  0.338024  1
  C  C271  1  0.534984  0.067741  0.336066  1
  C  C272  1  0.534927  0.855433  0.391652  1
  C  C273  1  0.534108  0.282270  0.280655  1
  C  C274  1  0.962680  0.096080  0.272002  1
  C  C275  1  0.965236  0.883247  0.327004  1
  C  C276  1  0.964689  0.669511  0.382896  1
  C  C277  1  0.964806  0.067741  0.336066  1
  C  C278  1  0.964863  0.855433  0.391652  1
  C  C279  1  0.965682  0.282270  0.280655  1
  C  C280  1  0.537110  0.096080  0.272002  1
  C  C281  1  0.534554  0.883247  0.327004  1
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  C  C337  1  0.034984  0.097191  0.662466  1
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  C  C339  1  0.034927  0.309499  0.606880  1
  C  C340  1  0.462680  0.068852  0.726529  1
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  C  C343  1  0.534264  0.789854  0.669379  1
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  C  C345  1  0.535007  0.003219  0.613756  1
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  C  C352  1  0.535212  0.817351  0.605018  1
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  C  C354  1  0.533597  0.390061  0.715574  1
  C  C355  1  0.464806  0.097191  0.662466  1
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  C  C357  1  0.464863  0.309499  0.606880  1
  C  C358  1  0.037110  0.068852  0.726529  1
  C  C359  1  0.035101  0.495421  0.615635  1
  C  C360  1  0.034554  0.281685  0.671528  1
