# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.44533909
_cell_length_b   6.61328752
_cell_length_c   49.45420854
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.50651587
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe280 C112'
_cell_volume   6790.19729291
_cell_formula_units_Z   56
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  0.098743  0.619573  0.296530  1
  Fe  Fe2  1  0.599246  0.366374  0.329061  1
  Fe  Fe3  1  0.252840  0.279044  0.296558  1
  Fe  Fe4  1  0.755570  0.022313  0.329712  1
  Fe  Fe5  1  0.192295  0.918359  0.299262  1
  Fe  Fe6  1  0.697231  0.663367  0.331769  1
  Fe  Fe7  1  0.154582  0.165424  0.270353  1
  Fe  Fe8  1  0.656327  0.917146  0.302082  1
  Fe  Fe9  1  0.159190  0.292437  0.318411  1
  Fe  Fe10  1  0.658587  0.565977  0.284213  1
  Fe  Fe11  1  0.191150  0.562569  0.281026  1
  Fe  Fe12  1  0.695616  0.313671  0.313087  1
  Fe  Fe13  1  0.097784  0.935554  0.319876  1
  Fe  Fe14  1  0.600205  0.205708  0.285231  1
  Fe  Fe15  1  0.257836  0.601065  0.320988  1
  Fe  Fe16  1  0.747696  0.856342  0.285717  1
  Fe  Fe17  1  0.052622  0.281486  0.318384  1
  Fe  Fe18  1  0.549229  0.538220  0.284749  1
  Fe  Fe19  1  0.048080  0.072047  0.281454  1
  Fe  Fe20  1  0.551778  0.813375  0.314988  1
  Fe  Fe21  1  0.349898  0.495164  0.313194  1
  Fe  Fe22  1  0.845751  0.751130  0.279289  1
  Fe  Fe23  1  0.503597  0.146723  0.314198  1
  Fe  Fe24  1  0.004200  0.414127  0.279532  1
  Fe  Fe25  1  0.445090  0.792934  0.316303  1
  Fe  Fe26  1  0.940371  0.055728  0.282173  1
  Fe  Fe27  1  0.406019  0.045535  0.286396  1
  Fe  Fe28  1  0.909833  0.787443  0.320295  1
  Fe  Fe29  1  0.407842  0.696384  0.268092  1
  Fe  Fe30  1  0.909234  0.419620  0.302553  1
  Fe  Fe31  1  0.444049  0.432497  0.298130  1
  Fe  Fe32  1  0.947962  0.185927  0.329380  1
  Fe  Fe33  1  0.350619  0.327095  0.269154  1
  Fe  Fe34  1  0.846123  0.070180  0.302636  1
  Fe  Fe35  1  0.504326  0.987751  0.272421  1
  Fe  Fe36  1  0.997595  0.725938  0.301136  1
  Fe  Fe37  1  0.298131  0.666572  0.268975  1
  Fe  Fe38  1  0.802203  0.412941  0.299702  1
  Fe  Fe39  1  0.300777  0.940697  0.298544  1
  Fe  Fe40  1  0.804061  0.688838  0.331144  1
  Fe  Fe41  1  0.105468  0.105538  0.363319  1
  Fe  Fe42  1  0.608325  0.848442  0.395870  1
  Fe  Fe43  1  0.259927  0.759967  0.363672  1
  Fe  Fe44  1  0.764141  0.503678  0.396426  1
  Fe  Fe45  1  0.201465  0.401325  0.365464  1
  Fe  Fe46  1  0.705005  0.145835  0.398648  1
  Fe  Fe47  1  0.161843  0.653778  0.336704  1
  Fe  Fe48  1  0.665329  0.398536  0.369135  1
  Fe  Fe49  1  0.167782  0.783332  0.384562  1
  Fe  Fe50  1  0.663141  0.045874  0.350285  1
  Fe  Fe51  1  0.198895  0.049643  0.347000  1
  Fe  Fe52  1  0.702818  0.792076  0.379841  1
  Fe  Fe53  1  0.108454  0.426609  0.386562  1
  Fe  Fe54  1  0.605620  0.688000  0.352394  1
  Fe  Fe55  1  0.263636  0.081320  0.386924  1
  Fe  Fe56  1  0.758864  0.341371  0.353088  1
  Fe  Fe57  1  0.060741  0.764212  0.385238  1
  Fe  Fe58  1  0.557126  0.024269  0.351539  1
  Fe  Fe59  1  0.056069  0.555098  0.347887  1
  Fe  Fe60  1  0.559871  0.296254  0.381619  1
  Fe  Fe61  1  0.357268  0.977622  0.380033  1
  Fe  Fe62  1  0.852156  0.238963  0.346630  1
  Fe  Fe63  1  0.511885  0.631613  0.380663  1
  Fe  Fe64  1  0.008396  0.892571  0.346512  1
  Fe  Fe65  1  0.452917  0.275568  0.382827  1
  Fe  Fe66  1  0.949664  0.532706  0.348358  1
  Fe  Fe67  1  0.413881  0.527023  0.353409  1
  Fe  Fe68  1  0.917875  0.269851  0.386258  1
  Fe  Fe69  1  0.411833  0.172191  0.334733  1
  Fe  Fe70  1  0.915540  0.916632  0.367342  1
  Fe  Fe71  1  0.451287  0.920420  0.364077  1
  Fe  Fe72  1  0.955094  0.663355  0.396538  1
  Fe  Fe73  1  0.353153  0.814902  0.336371  1
  Fe  Fe74  1  0.856866  0.559189  0.369512  1
  Fe  Fe75  1  0.509244  0.471774  0.337730  1
  Fe  Fe76  1  0.010675  0.211514  0.369654  1
  Fe  Fe77  1  0.305123  0.149750  0.335559  1
  Fe  Fe78  1  0.808768  0.895329  0.368183  1
  Fe  Fe79  1  0.307867  0.424816  0.364829  1
  Fe  Fe80  1  0.811950  0.168169  0.397688  1
  Fe  Fe81  1  0.113867  0.589866  0.429970  1
  Fe  Fe82  1  0.617036  0.331043  0.462675  1
  Fe  Fe83  1  0.268385  0.244278  0.430316  1
  Fe  Fe84  1  0.772528  0.986145  0.463132  1
  Fe  Fe85  1  0.209435  0.886340  0.432451  1
  Fe  Fe86  1  0.713475  0.628104  0.465301  1
  Fe  Fe87  1  0.169959  0.138416  0.403190  1
  Fe  Fe88  1  0.673691  0.880690  0.435911  1
  Fe  Fe89  1  0.176107  0.267766  0.451150  1
  Fe  Fe90  1  0.671639  0.528430  0.417064  1
  Fe  Fe91  1  0.207302  0.532361  0.413667  1
  Fe  Fe92  1  0.711286  0.274829  0.446484  1
  Fe  Fe93  1  0.116938  0.910023  0.453237  1
  Fe  Fe94  1  0.613229  0.170004  0.419349  1
  Fe  Fe95  1  0.271896  0.564504  0.453584  1
  Fe  Fe96  1  0.767628  0.823927  0.419739  1
  Fe  Fe97  1  0.069202  0.246683  0.451922  1
  Fe  Fe98  1  0.565219  0.507013  0.418201  1
  Fe  Fe99  1  0.064229  0.037709  0.414584  1
  Fe  Fe100  1  0.568172  0.778704  0.448260  1
  Fe  Fe101  1  0.365822  0.461138  0.446798  1
  Fe  Fe102  1  0.861354  0.720874  0.412956  1
  Fe  Fe103  1  0.520259  0.115286  0.447210  1
  Fe  Fe104  1  0.016509  0.374880  0.413247  1
  Fe  Fe105  1  0.461347  0.758182  0.449442  1
  Fe  Fe106  1  0.957391  0.016394  0.415397  1
  Fe  Fe107  1  0.421863  0.009986  0.419971  1
  Fe  Fe108  1  0.926151  0.751892  0.452907  1
  Fe  Fe109  1  0.419629  0.657481  0.401143  1
  Fe  Fe110  1  0.923988  0.398791  0.434060  1
  Fe  Fe111  1  0.459482  0.403949  0.430639  1
  Fe  Fe112  1  0.963478  0.145784  0.463311  1
  Fe  Fe113  1  0.360774  0.298578  0.403408  1
  Fe  Fe114  1  0.864992  0.040802  0.436229  1
  Fe  Fe115  1  0.516648  0.954179  0.404033  1
  Fe  Fe116  1  0.019547  0.694381  0.436526  1
  Fe  Fe117  1  0.313015  0.633698  0.402082  1
  Fe  Fe118  1  0.817081  0.376643  0.434916  1
  Fe  Fe119  1  0.316232  0.908613  0.431581  1
  Fe  Fe120  1  0.820360  0.650502  0.464381  1
  Fe  Fe121  1  0.122169  0.073045  0.496680  1
  Fe  Fe122  1  0.625432  0.813570  0.529372  1
  Fe  Fe123  1  0.276792  0.727071  0.497031  1
  Fe  Fe124  1  0.781010  0.469017  0.529839  1
  Fe  Fe125  1  0.217851  0.369133  0.499159  1
  Fe  Fe126  1  0.721933  0.110783  0.531990  1
  Fe  Fe127  1  0.178301  0.621732  0.469908  1
  Fe  Fe128  1  0.682198  0.363229  0.502655  1
  Fe  Fe129  1  0.184409  0.751101  0.517841  1
  Fe  Fe130  1  0.680217  0.010014  0.483848  1
  Fe  Fe131  1  0.215661  0.015738  0.480358  1
  Fe  Fe132  1  0.719752  0.757384  0.513191  1
  Fe  Fe133  1  0.125372  0.393005  0.519944  1
  Fe  Fe134  1  0.621491  0.652147  0.486072  1
  Fe  Fe135  1  0.280325  0.047227  0.520301  1
  Fe  Fe136  1  0.775976  0.306304  0.486422  1
  Fe  Fe137  1  0.077563  0.729498  0.518650  1
  Fe  Fe138  1  0.573550  0.988996  0.484985  1
  Fe  Fe139  1  0.072595  0.520738  0.481294  1
  Fe  Fe140  1  0.576608  0.261240  0.514959  1
  Fe  Fe141  1  0.374183  0.943932  0.513522  1
  Fe  Fe142  1  0.869834  0.203009  0.479643  1
  Fe  Fe143  1  0.528668  0.598089  0.513871  1
  Fe  Fe144  1  0.024787  0.857231  0.480000  1
  Fe  Fe145  1  0.469941  0.240221  0.516095  1
  Fe  Fe146  1  0.965749  0.499134  0.482103  1
  Fe  Fe147  1  0.430407  0.492851  0.486753  1
  Fe  Fe148  1  0.934498  0.234498  0.519586  1
  Fe  Fe149  1  0.428225  0.139452  0.467954  1
  Fe  Fe150  1  0.932308  0.881102  0.500785  1
  Fe  Fe151  1  0.467961  0.887006  0.497288  1
  Fe  Fe152  1  0.971857  0.628504  0.530036  1
  Fe  Fe153  1  0.369149  0.781218  0.470105  1
  Fe  Fe154  1  0.873367  0.523164  0.502913  1
  Fe  Fe155  1  0.524727  0.436665  0.470572  1
  Fe  Fe156  1  0.027989  0.177191  0.503264  1
  Fe  Fe157  1  0.321373  0.116852  0.468866  1
  Fe  Fe158  1  0.825476  0.858814  0.501656  1
  Fe  Fe159  1  0.324683  0.391421  0.498288  1
  Fe  Fe160  1  0.828785  0.133384  0.531077  1
  Fe  Fe161  1  0.130612  0.555855  0.563418  1
  Fe  Fe162  1  0.633510  0.296056  0.595911  1
  Fe  Fe163  1  0.285167  0.209433  0.563715  1
  Fe  Fe164  1  0.789385  0.951657  0.596536  1
  Fe  Fe165  1  0.226171  0.851444  0.565884  1
  Fe  Fe166  1  0.730530  0.592755  0.598801  1
  Fe  Fe167  1  0.186680  0.104452  0.536633  1
  Fe  Fe168  1  0.690676  0.846287  0.569305  1
  Fe  Fe169  1  0.192768  0.233842  0.584547  1
  Fe  Fe170  1  0.688812  0.492053  0.550502  1
  Fe  Fe171  1  0.224008  0.498344  0.547037  1
  Fe  Fe172  1  0.728295  0.240249  0.579973  1
  Fe  Fe173  1  0.133650  0.875355  0.586697  1
  Fe  Fe174  1  0.629900  0.134950  0.552734  1
  Fe  Fe175  1  0.288804  0.529362  0.586988  1
  Fe  Fe176  1  0.784337  0.789097  0.553145  1
  Fe  Fe177  1  0.085929  0.212526  0.585360  1
  Fe  Fe178  1  0.581987  0.471532  0.551683  1
  Fe  Fe179  1  0.080956  0.003552  0.548022  1
  Fe  Fe180  1  0.584939  0.743223  0.581743  1
  Fe  Fe181  1  0.382530  0.426309  0.580205  1
  Fe  Fe182  1  0.878263  0.685731  0.546360  1
  Fe  Fe183  1  0.536929  0.080231  0.580595  1
  Fe  Fe184  1  0.033221  0.340213  0.546707  1
  Fe  Fe185  1  0.478520  0.721806  0.582880  1
  Fe  Fe186  1  0.974051  0.982470  0.548793  1
  Fe  Fe187  1  0.438873  0.975407  0.553460  1
  Fe  Fe188  1  0.942857  0.717874  0.586277  1
  Fe  Fe189  1  0.436684  0.622131  0.534643  1
  Fe  Fe190  1  0.940724  0.363895  0.567493  1
  Fe  Fe191  1  0.476468  0.369546  0.564033  1
  Fe  Fe192  1  0.980199  0.111820  0.596754  1
  Fe  Fe193  1  0.377631  0.264091  0.536812  1
  Fe  Fe194  1  0.881773  0.005957  0.569628  1
  Fe  Fe195  1  0.533123  0.919192  0.537268  1
  Fe  Fe196  1  0.036291  0.660369  0.569974  1
  Fe  Fe197  1  0.329799  0.599734  0.535563  1
  Fe  Fe198  1  0.833926  0.341623  0.568363  1
  Fe  Fe199  1  0.333078  0.873593  0.565028  1
  Fe  Fe200  1  0.837144  0.616538  0.597862  1
  Fe  Fe201  1  0.139484  0.038721  0.630290  1
  Fe  Fe202  1  0.640915  0.778461  0.662214  1
  Fe  Fe203  1  0.293292  0.691046  0.630432  1
  Fe  Fe204  1  0.797005  0.435333  0.663573  1
  Fe  Fe205  1  0.234618  0.333603  0.632601  1
  Fe  Fe206  1  0.738326  0.078044  0.665211  1
  Fe  Fe207  1  0.195064  0.586881  0.603406  1
  Fe  Fe208  1  0.698872  0.329816  0.635867  1
  Fe  Fe209  1  0.200495  0.717529  0.651585  1
  Fe  Fe210  1  0.697241  0.974667  0.617117  1
  Fe  Fe211  1  0.232283  0.980384  0.613686  1
  Fe  Fe212  1  0.736278  0.723212  0.646534  1
  Fe  Fe213  1  0.141762  0.357664  0.653432  1
  Fe  Fe214  1  0.638274  0.618623  0.619281  1
  Fe  Fe215  1  0.298003  0.011273  0.653314  1
  Fe  Fe216  1  0.792891  0.272613  0.619911  1
  Fe  Fe217  1  0.094090  0.695138  0.652057  1
  Fe  Fe218  1  0.590287  0.953982  0.618325  1
  Fe  Fe219  1  0.089417  0.486023  0.614706  1
  Fe  Fe220  1  0.593032  0.225966  0.648405  1
  Fe  Fe221  1  0.391294  0.908864  0.646856  1
  Fe  Fe222  1  0.886523  0.168915  0.613020  1
  Fe  Fe223  1  0.544538  0.562235  0.647550  1
  Fe  Fe224  1  0.041705  0.823627  0.613381  1
  Fe  Fe225  1  0.487018  0.204361  0.649659  1
  Fe  Fe226  1  0.982376  0.466904  0.615382  1
  Fe  Fe227  1  0.447340  0.458159  0.620103  1
  Fe  Fe228  1  0.951263  0.200592  0.652944  1
  Fe  Fe229  1  0.445154  0.104401  0.601295  1
  Fe  Fe230  1  0.948694  0.848911  0.634480  1
  Fe  Fe231  1  0.484829  0.851700  0.630809  1
  Fe  Fe232  1  0.988315  0.596457  0.663240  1
  Fe  Fe233  1  0.386018  0.746558  0.603518  1
  Fe  Fe234  1  0.890231  0.490268  0.636272  1
  Fe  Fe235  1  0.541833  0.401793  0.604074  1
  Fe  Fe236  1  0.044691  0.144697  0.636625  1
  Fe  Fe237  1  0.338208  0.082067  0.602256  1
  Fe  Fe238  1  0.842291  0.825420  0.635115  1
  Fe  Fe239  1  0.341390  0.354907  0.631761  1
  Fe  Fe240  1  0.845035  0.100485  0.664385  1
  Fe  Fe241  1  0.152563  0.524297  0.698808  1
  Fe  Fe242  1  0.645833  0.262485  0.727523  1
  Fe  Fe243  1  0.304036  0.180056  0.697308  1
  Fe  Fe244  1  0.799539  0.923140  0.730790  1
  Fe  Fe245  1  0.240924  0.830616  0.697391  1
  Fe  Fe246  1  0.742316  0.553852  0.731852  1
  Fe  Fe247  1  0.202197  0.064309  0.670564  1
  Fe  Fe248  1  0.706110  0.817738  0.701814  1
  Fe  Fe249  1  0.209788  0.194508  0.717771  1
  Fe  Fe250  1  0.705068  0.457301  0.683641  1
  Fe  Fe251  1  0.240326  0.462793  0.679649  1
  Fe  Fe252  1  0.744140  0.204700  0.713548  1
  Fe  Fe253  1  0.145958  0.836108  0.720412  1
  Fe  Fe254  1  0.646561  0.103512  0.685746  1
  Fe  Fe255  1  0.304407  0.499105  0.720655  1
  Fe  Fe256  1  0.800261  0.755072  0.686750  1
  Fe  Fe257  1  0.102078  0.178189  0.718490  1
  Fe  Fe258  1  0.598380  0.436861  0.684955  1
  Fe  Fe259  1  0.097537  0.968750  0.681560  1
  Fe  Fe260  1  0.600930  0.712015  0.715195  1
  Fe  Fe261  1  0.402462  0.393893  0.714227  1
  Fe  Fe262  1  0.892323  0.649170  0.678956  1
  Fe  Fe263  1  0.549953  0.044527  0.714712  1
  Fe  Fe264  1  0.052374  0.314682  0.680068  1
  Fe  Fe265  1  0.491571  0.684259  0.715731  1
  Fe  Fe266  1  0.990968  0.957799  0.681532  1
  Fe  Fe267  1  0.454543  0.936564  0.686857  1
  Fe  Fe268  1  0.959008  0.687667  0.718918  1
  Fe  Fe269  1  0.452927  0.586868  0.668175  1
  Fe  Fe270  1  0.957864  0.331876  0.700682  1
  Fe  Fe271  1  0.493832  0.333090  0.697862  1
  Fe  Fe272  1  0.995576  0.084811  0.729591  1
  Fe  Fe273  1  0.394588  0.227923  0.670232  1
  Fe  Fe274  1  0.897318  0.971192  0.703386  1
  Fe  Fe275  1  0.550912  0.883861  0.670883  1
  Fe  Fe276  1  0.051416  0.630663  0.703414  1
  Fe  Fe277  1  0.346098  0.561398  0.668800  1
  Fe  Fe278  1  0.849381  0.309539  0.701400  1
  Fe  Fe279  1  0.347956  0.837295  0.700242  1
  Fe  Fe280  1  0.852028  0.583664  0.730969  1
  C  C281  1  0.237208  0.836085  0.269211  1
  C  C282  1  0.742602  0.586888  0.301452  1
  C  C283  1  0.110156  0.347560  0.288004  1
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