# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.60801808
_cell_length_b   12.92260120
_cell_length_c   46.67461500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.75716682
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe240 C96'
_cell_volume   6339.75423811
_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  0.910841  0.779451  0.333698  1
  Fe  Fe2  1  0.410841  0.279451  0.333698  1
  Fe  Fe3  1  0.515878  0.880471  0.296674  1
  Fe  Fe4  1  0.015878  0.380471  0.296674  1
  Fe  Fe5  1  0.645043  0.029473  0.314237  1
  Fe  Fe6  1  0.145043  0.529473  0.314237  1
  Fe  Fe7  1  0.039217  0.931374  0.349515  1
  Fe  Fe8  1  0.539217  0.431374  0.349515  1
  Fe  Fe9  1  0.625981  0.601084  0.358062  1
  Fe  Fe10  1  0.125981  0.101084  0.358062  1
  Fe  Fe11  1  0.234547  0.697600  0.322393  1
  Fe  Fe12  1  0.734547  0.197600  0.322393  1
  Fe  Fe13  1  0.650529  0.718136  0.314759  1
  Fe  Fe14  1  0.150529  0.218136  0.314759  1
  Fe  Fe15  1  0.040826  0.621900  0.350369  1
  Fe  Fe16  1  0.540826  0.121900  0.350369  1
  Fe  Fe17  1  0.911717  0.092420  0.335132  1
  Fe  Fe18  1  0.411717  0.592420  0.335132  1
  Fe  Fe19  1  0.542458  0.178495  0.297535  1
  Fe  Fe20  1  0.042458  0.678495  0.297535  1
  Fe  Fe21  1  0.084409  0.860468  0.304084  1
  Fe  Fe22  1  0.584409  0.360468  0.304084  1
  Fe  Fe23  1  0.472123  0.766257  0.340958  1
  Fe  Fe24  1  0.972123  0.266257  0.340958  1
  Fe  Fe25  1  0.712698  0.859220  0.341962  1
  Fe  Fe26  1  0.212698  0.359220  0.341962  1
  Fe  Fe27  1  0.320959  0.953464  0.305418  1
  Fe  Fe28  1  0.820959  0.453464  0.305418  1
  Fe  Fe29  1  0.482071  0.946118  0.344060  1
  Fe  Fe30  1  0.982071  0.446118  0.344060  1
  Fe  Fe31  1  0.091338  0.044020  0.308198  1
  Fe  Fe32  1  0.591338  0.544020  0.308198  1
  Fe  Fe33  1  0.935881  0.205346  0.291210  1
  Fe  Fe34  1  0.435881  0.705346  0.291210  1
  Fe  Fe35  1  0.323270  0.113484  0.326551  1
  Fe  Fe36  1  0.823270  0.613484  0.326551  1
  Fe  Fe37  1  0.845597  0.948981  0.307234  1
  Fe  Fe38  1  0.345597  0.448981  0.307234  1
  Fe  Fe39  1  0.236363  0.853350  0.343510  1
  Fe  Fe40  1  0.736363  0.353350  0.343510  1
  Fe  Fe41  1  0.697437  0.590637  0.406565  1
  Fe  Fe42  1  0.197437  0.090637  0.406565  1
  Fe  Fe43  1  0.305151  0.685860  0.370625  1
  Fe  Fe44  1  0.805151  0.185860  0.370625  1
  Fe  Fe45  1  0.432076  0.837597  0.385470  1
  Fe  Fe46  1  0.932076  0.337597  0.385470  1
  Fe  Fe47  1  0.824439  0.742176  0.420820  1
  Fe  Fe48  1  0.324439  0.242176  0.420820  1
  Fe  Fe49  1  0.410802  0.410195  0.429474  1
  Fe  Fe50  1  0.910802  0.910195  0.429474  1
  Fe  Fe51  1  0.018711  0.505693  0.393792  1
  Fe  Fe52  1  0.518711  0.005693  0.393792  1
  Fe  Fe53  1  0.433332  0.525948  0.385963  1
  Fe  Fe54  1  0.933332  0.025948  0.385963  1
  Fe  Fe55  1  0.825614  0.431096  0.421640  1
  Fe  Fe56  1  0.325614  0.931096  0.421640  1
  Fe  Fe57  1  0.697465  0.901810  0.405884  1
  Fe  Fe58  1  0.197465  0.401810  0.405884  1
  Fe  Fe59  1  0.302914  0.996732  0.370165  1
  Fe  Fe60  1  0.802914  0.496732  0.370165  1
  Fe  Fe61  1  0.864995  0.670655  0.376173  1
  Fe  Fe62  1  0.364995  0.170655  0.376173  1
  Fe  Fe63  1  0.256084  0.575832  0.411921  1
  Fe  Fe64  1  0.756084  0.075832  0.411921  1
  Fe  Fe65  1  0.499567  0.668901  0.412820  1
  Fe  Fe66  1  0.999567  0.168901  0.412820  1
  Fe  Fe67  1  0.106941  0.763929  0.376817  1
  Fe  Fe68  1  0.606941  0.263929  0.376817  1
  Fe  Fe69  1  0.265565  0.756951  0.415491  1
  Fe  Fe70  1  0.765565  0.256951  0.415491  1
  Fe  Fe71  1  0.873842  0.852175  0.379763  1
  Fe  Fe72  1  0.373842  0.352175  0.379763  1
  Fe  Fe73  1  0.719484  0.017495  0.362602  1
  Fe  Fe74  1  0.219484  0.517495  0.362602  1
  Fe  Fe75  1  0.110998  0.922517  0.397934  1
  Fe  Fe76  1  0.610998  0.422517  0.397934  1
  Fe  Fe77  1  0.630320  0.759378  0.379284  1
  Fe  Fe78  1  0.130320  0.259378  0.379284  1
  Fe  Fe79  1  0.022501  0.663824  0.414697  1
  Fe  Fe80  1  0.522501  0.163824  0.414697  1
  Fe  Fe81  1  0.481995  0.400232  0.477755  1
  Fe  Fe82  1  0.981995  0.900232  0.477755  1
  Fe  Fe83  1  0.089738  0.495381  0.442103  1
  Fe  Fe84  1  0.589738  0.995381  0.442103  1
  Fe  Fe85  1  0.216667  0.647142  0.456581  1
  Fe  Fe86  1  0.716667  0.147142  0.456581  1
  Fe  Fe87  1  0.609022  0.551940  0.492143  1
  Fe  Fe88  1  0.109022  0.051940  0.492143  1
  Fe  Fe89  1  0.195398  0.219924  0.500672  1
  Fe  Fe90  1  0.695398  0.719924  0.500672  1
  Fe  Fe91  1  0.803220  0.315130  0.465087  1
  Fe  Fe92  1  0.303220  0.815130  0.465087  1
  Fe  Fe93  1  0.218035  0.336129  0.457285  1
  Fe  Fe94  1  0.718035  0.836129  0.457285  1
  Fe  Fe95  1  0.610210  0.240856  0.492906  1
  Fe  Fe96  1  0.110210  0.740856  0.492906  1
  Fe  Fe97  1  0.480840  0.711325  0.477028  1
  Fe  Fe98  1  0.980840  0.211325  0.477028  1
  Fe  Fe99  1  0.088713  0.806485  0.441364  1
  Fe  Fe100  1  0.588713  0.306485  0.441364  1
  Fe  Fe101  1  0.648614  0.480455  0.447474  1
  Fe  Fe102  1  0.148614  0.980455  0.447474  1
  Fe  Fe103  1  0.041019  0.385331  0.483100  1
  Fe  Fe104  1  0.541019  0.885331  0.483100  1
  Fe  Fe105  1  0.284018  0.478515  0.483937  1
  Fe  Fe106  1  0.784018  0.978515  0.483937  1
  Fe  Fe107  1  0.891682  0.573720  0.448281  1
  Fe  Fe108  1  0.391682  0.073720  0.448281  1
  Fe  Fe109  1  0.049870  0.566885  0.486778  1
  Fe  Fe110  1  0.549870  0.066885  0.486778  1
  Fe  Fe111  1  0.657547  0.661942  0.451161  1
  Fe  Fe112  1  0.157547  0.161942  0.451161  1
  Fe  Fe113  1  0.503371  0.827391  0.433716  1
  Fe  Fe114  1  0.003371  0.327391  0.433716  1
  Fe  Fe115  1  0.895490  0.732274  0.469176  1
  Fe  Fe116  1  0.395490  0.232274  0.469176  1
  Fe  Fe117  1  0.414927  0.568853  0.450365  1
  Fe  Fe118  1  0.914927  0.068853  0.450365  1
  Fe  Fe119  1  0.806955  0.473636  0.485968  1
  Fe  Fe120  1  0.306955  0.973636  0.485968  1
  Fe  Fe121  1  0.266570  0.209811  0.548933  1
  Fe  Fe122  1  0.766570  0.709811  0.548933  1
  Fe  Fe123  1  0.874215  0.305013  0.513371  1
  Fe  Fe124  1  0.374215  0.805013  0.513371  1
  Fe  Fe125  1  0.001242  0.456721  0.527759  1
  Fe  Fe126  1  0.501242  0.956721  0.527759  1
  Fe  Fe127  1  0.393499  0.361572  0.563411  1
  Fe  Fe128  1  0.893499  0.861572  0.563411  1
  Fe  Fe129  1  0.979867  0.029562  0.571798  1
  Fe  Fe130  1  0.479867  0.529562  0.571798  1
  Fe  Fe131  1  0.587747  0.124679  0.536338  1
  Fe  Fe132  1  0.087747  0.624679  0.536338  1
  Fe  Fe133  1  0.002397  0.145628  0.528486  1
  Fe  Fe134  1  0.502397  0.645628  0.528486  1
  Fe  Fe135  1  0.394524  0.050468  0.564150  1
  Fe  Fe136  1  0.894524  0.550468  0.564150  1
  Fe  Fe137  1  0.265202  0.520823  0.548229  1
  Fe  Fe138  1  0.765202  0.020823  0.548229  1
  Fe  Fe139  1  0.873027  0.616097  0.512608  1
  Fe  Fe140  1  0.373027  0.116097  0.512608  1
  Fe  Fe141  1  0.433367  0.290068  0.518736  1
  Fe  Fe142  1  0.933367  0.790068  0.518736  1
  Fe  Fe143  1  0.825690  0.195010  0.554353  1
  Fe  Fe144  1  0.325690  0.695010  0.554353  1
  Fe  Fe145  1  0.068310  0.288099  0.555149  1
  Fe  Fe146  1  0.568310  0.788099  0.555149  1
  Fe  Fe147  1  0.676282  0.383316  0.519546  1
  Fe  Fe148  1  0.176282  0.883316  0.519546  1
  Fe  Fe149  1  0.834624  0.376498  0.558040  1
  Fe  Fe150  1  0.334624  0.876498  0.558040  1
  Fe  Fe151  1  0.442219  0.471622  0.522414  1
  Fe  Fe152  1  0.942219  0.971622  0.522414  1
  Fe  Fe153  1  0.287839  0.637029  0.504842  1
  Fe  Fe154  1  0.787839  0.137029  0.504842  1
  Fe  Fe155  1  0.680017  0.541823  0.540427  1
  Fe  Fe156  1  0.180017  0.041823  0.540427  1
  Fe  Fe157  1  0.199219  0.378438  0.521577  1
  Fe  Fe158  1  0.699219  0.878438  0.521577  1
  Fe  Fe159  1  0.591556  0.283233  0.557233  1
  Fe  Fe160  1  0.091556  0.783233  0.557233  1
  Fe  Fe161  1  0.051161  0.019356  0.620044  1
  Fe  Fe162  1  0.551161  0.519356  0.620044  1
  Fe  Fe163  1  0.658799  0.114777  0.584694  1
  Fe  Fe164  1  0.158799  0.614777  0.584694  1
  Fe  Fe165  1  0.785800  0.266316  0.598949  1
  Fe  Fe166  1  0.285800  0.766316  0.598949  1
  Fe  Fe167  1  0.178086  0.171093  0.634889  1
  Fe  Fe168  1  0.678086  0.671093  0.634889  1
  Fe  Fe169  1  0.763753  0.839458  0.642912  1
  Fe  Fe170  1  0.263753  0.339458  0.642912  1
  Fe  Fe171  1  0.372239  0.934436  0.607580  1
  Fe  Fe172  1  0.872239  0.434436  0.607580  1
  Fe  Fe173  1  0.785773  0.955143  0.599630  1
  Fe  Fe174  1  0.285773  0.455143  0.599630  1
  Fe  Fe175  1  0.180323  0.860221  0.635349  1
  Fe  Fe176  1  0.680323  0.360221  0.635349  1
  Fe  Fe177  1  0.049906  0.331005  0.619551  1
  Fe  Fe178  1  0.549906  0.831005  0.619551  1
  Fe  Fe179  1  0.657623  0.425857  0.583874  1
  Fe  Fe180  1  0.157623  0.925857  0.583874  1
  Fe  Fe181  1  0.217672  0.100002  0.590023  1
  Fe  Fe182  1  0.717672  0.600002  0.590023  1
  Fe  Fe183  1  0.609395  0.004778  0.625751  1
  Fe  Fe184  1  0.109395  0.504778  0.625751  1
  Fe  Fe185  1  0.852917  0.097574  0.626230  1
  Fe  Fe186  1  0.352917  0.597574  0.626230  1
  Fe  Fe187  1  0.460736  0.193129  0.590817  1
  Fe  Fe188  1  0.960736  0.693129  0.590817  1
  Fe  Fe189  1  0.618242  0.186298  0.629341  1
  Fe  Fe190  1  0.118242  0.686298  0.629341  1
  Fe  Fe191  1  0.227153  0.281120  0.593593  1
  Fe  Fe192  1  0.727153  0.781120  0.593593  1
  Fe  Fe193  1  0.072436  0.446757  0.576040  1
  Fe  Fe194  1  0.572436  0.946757  0.576040  1
  Fe  Fe195  1  0.464526  0.351260  0.611722  1
  Fe  Fe196  1  0.964526  0.851260  0.611722  1
  Fe  Fe197  1  0.983671  0.188052  0.592695  1
  Fe  Fe198  1  0.483671  0.688052  0.592695  1
  Fe  Fe199  1  0.376297  0.093024  0.628697  1
  Fe  Fe200  1  0.876297  0.593024  0.628697  1
  Fe  Fe201  1  0.838194  0.827480  0.691277  1
  Fe  Fe202  1  0.338194  0.327480  0.691277  1
  Fe  Fe203  1  0.444020  0.925579  0.655999  1
  Fe  Fe204  1  0.944020  0.425579  0.655999  1
  Fe  Fe205  1  0.572396  0.077501  0.671816  1
  Fe  Fe206  1  0.072396  0.577501  0.671816  1
  Fe  Fe207  1  0.967359  0.976481  0.708840  1
  Fe  Fe208  1  0.467359  0.476481  0.708840  1
  Fe  Fe209  1  0.547356  0.651607  0.714304  1
  Fe  Fe210  1  0.047356  0.151607  0.714304  1
  Fe  Fe211  1  0.159967  0.743469  0.678963  1
  Fe  Fe212  1  0.659967  0.243469  0.678963  1
  Fe  Fe213  1  0.571520  0.764533  0.670382  1
  Fe  Fe214  1  0.071520  0.264533  0.670382  1
  Fe  Fe215  1  0.940779  0.678458  0.707979  1
  Fe  Fe216  1  0.440779  0.178458  0.707979  1
  Fe  Fe217  1  0.832709  0.138817  0.690755  1
  Fe  Fe218  1  0.332709  0.638817  0.690755  1
  Fe  Fe219  1  0.442411  0.235052  0.655145  1
  Fe  Fe220  1  0.942411  0.735052  0.655145  1
  Fe  Fe221  1  0.001167  0.910835  0.661454  1
  Fe  Fe222  1  0.501167  0.410835  0.661454  1
  Fe  Fe223  1  0.391899  0.812933  0.697316  1
  Fe  Fe224  1  0.891899  0.312933  0.697316  1
  Fe  Fe225  1  0.637640  0.907972  0.698280  1
  Fe  Fe226  1  0.137640  0.407972  0.698280  1
  Fe  Fe227  1  0.246875  0.003603  0.662004  1
  Fe  Fe228  1  0.746875  0.503603  0.662004  1
  Fe  Fe229  1  0.398828  0.996485  0.701430  1
  Fe  Fe230  1  0.898828  0.496485  0.701430  1
  Fe  Fe231  1  0.011115  0.090696  0.664556  1
  Fe  Fe232  1  0.511115  0.590696  0.664556  1
  Fe  Fe233  1  0.857256  0.255869  0.647452  1
  Fe  Fe234  1  0.357256  0.755869  0.647452  1
  Fe  Fe235  1  0.248691  0.159353  0.683121  1
  Fe  Fe236  1  0.748691  0.659353  0.683121  1
  Fe  Fe237  1  0.770539  -0.002268  0.663552  1
  Fe  Fe238  1  0.270539  0.497732  0.663552  1
  Fe  Fe239  1  0.162278  0.903489  0.700096  1
  Fe  Fe240  1  0.662278  0.403489  0.700096  1
  C  C241  1  0.749429  0.719906  0.349299  1
  C  C242  1  0.249429  0.219906  0.349299  1
  C  C243  1  0.359430  0.815131  0.313369  1
  C  C244  1  0.859430  0.315131  0.313369  1
  C  C245  1  0.864000  0.954208  0.350155  1
  C  C246  1  0.364000  0.454208  0.350155  1
  C  C247  1  0.469008  0.049947  0.315125  1
  C  C248  1  0.969008  0.549947  0.315125  1
  C  C249  1  0.690536  0.857448  0.299892  1
  C  C250  1  0.190536  0.357448  0.299892  1
  C  C251  1  0.086746  0.758248  0.333951  1
  C  C252  1  0.586746  0.258248  0.333951  1
  C  C253  1  0.810303  0.089309  0.300947  1
  C  C254  1  0.310303  0.589309  0.300947  1
  C  C255  1  0.202905  0.993273  0.335755  1
  C  C256  1  0.702905  0.493273  0.335755  1
  C  C257  1  0.533598  0.528968  0.420329  1
  C  C258  1  0.033598  0.028968  0.420329  1
  C  C259  1  0.141662  0.624377  0.384640  1
  C  C260  1  0.641662  0.124377  0.384640  1
  C  C261  1  0.649165  0.764892  0.421740  1
  C  C262  1  0.149165  0.264892  0.421740  1
  C  C263  1  0.256523  0.859560  0.386005  1
  C  C264  1  0.756523  0.359560  0.386005  1
  C  C265  1  0.480622  0.663458  0.370403  1
  C  C266  1  0.980622  0.163458  0.370403  1
  C  C267  1  0.872765  0.568065  0.405719  1
  C  C268  1  0.372765  0.068065  0.405719  1
  C  C269  1  0.595953  0.899202  0.371724  1
  C  C270  1  0.095953  0.399202  0.371724  1
  C  C271  1  0.988320  0.803608  0.407024  1
  C  C272  1  0.488320  0.303608  0.407024  1
  C  C273  1  0.318282  0.338773  0.491643  1
  C  C274  1  0.818282  0.838773  0.491643  1
  C  C275  1  0.925978  0.433990  0.455988  1
  C  C276  1  0.425978  0.933990  0.455988  1
  C  C277  1  0.433626  0.574359  0.492943  1
  C  C278  1  0.933626  0.074359  0.492943  1
  C  C279  1  0.041277  0.669572  0.457294  1
  C  C280  1  0.541277  0.169572  0.457294  1
  C  C281  1  0.265202  0.473120  0.441378  1
  C  C282  1  0.765202  0.973120  0.441378  1
  C  C283  1  0.657371  0.377774  0.476954  1
  C  C284  1  0.157371  0.877774  0.476954  1
  C  C285  1  0.380398  0.708550  0.442696  1
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  C  C287  1  0.772742  0.613384  0.478252  1
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  C  C289  1  0.102839  0.148403  0.562818  1
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  C  C293  1  0.218036  0.383833  0.564136  1
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  C  C297  1  0.049611  0.282594  0.512571  1
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  C  C299  1  0.441960  0.187381  0.548220  1
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  C  C301  1  0.164955  0.518179  0.513871  1
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  C  C303  1  0.557260  0.422963  0.549526  1
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  C  C305  1  0.887284  0.957751  0.633790  1
  C  C306  1  0.387284  0.457751  0.633790  1
  C  C307  1  0.494918  0.053345  0.598490  1
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  C  C309  1  0.002615  0.193494  0.635111  1
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  C  C311  1  0.610472  0.288888  0.599795  1
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  C  C313  1  0.834072  0.092061  0.583774  1
  C  C314  1  0.334072  0.592061  0.583774  1
  C  C315  1  0.226714  -0.002607  0.619509  1
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  C  C317  1  0.949640  0.327985  0.585185  1
  C  C318  1  0.449640  0.827985  0.585185  1
  C  C319  1  0.341575  0.232576  0.620874  1
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  C  C321  1  0.672935  0.767644  0.704567  1
  C  C322  1  0.172935  0.267644  0.704567  1
  C  C323  1  0.280332  0.863680  0.669759  1
  C  C324  1  0.780332  0.363680  0.669759  1
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  C  C326  1  0.292701  0.499505  0.705622  1
  C  C327  1  0.396491  0.098705  0.671563  1
  C  C328  1  0.896491  0.598705  0.671563  1
  C  C329  1  0.619238  0.902745  0.655359  1
  C  C330  1  0.119238  0.402745  0.655359  1
  C  C331  1  0.014229  0.807006  0.690389  1
  C  C332  1  0.514229  0.307006  0.690389  1
  C  C333  1  0.733808  0.137047  0.656215  1
  C  C334  1  0.233808  0.637047  0.656215  1
  C  C335  1  0.123807  0.041822  0.692145  1
  C  C336  1  0.623807  0.541822  0.692145  1
