# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.17837756
_cell_length_b   10.61344227
_cell_length_c   47.53738878
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   124.65665013
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe240 C96'
_cell_volume   5884.28060388
_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  0.584931  0.489858  0.325794  1
  Fe  Fe2  1  0.501126  0.832110  0.287017  1
  Fe  Fe3  1  0.310293  0.996835  0.342358  1
  Fe  Fe4  1  0.230714  0.345358  0.302743  1
  Fe  Fe5  1  0.325626  0.080780  0.295205  1
  Fe  Fe6  1  0.409911  0.736954  0.333306  1
  Fe  Fe7  1  0.358512  0.296458  0.271625  1
  Fe  Fe8  1  0.430006  0.964753  0.311483  1
  Fe  Fe9  1  0.496882  0.197294  0.340683  1
  Fe  Fe10  1  0.415282  0.544009  0.302255  1
  Fe  Fe11  1  0.390970  0.311118  0.324806  1
  Fe  Fe12  1  0.308706  0.652739  0.286183  1
  Fe  Fe13  1  0.512859  0.282818  0.292801  1
  Fe  Fe14  1  0.597741  0.939135  0.331426  1
  Fe  Fe15  1  0.154992  0.129798  0.271391  1
  Fe  Fe16  1  0.240219  0.786475  0.309416  1
  Fe  Fe17  1  0.680280  0.315022  0.326637  1
  Fe  Fe18  1  0.599610  0.661590  0.287477  1
  Fe  Fe19  1  0.686767  0.794771  0.328614  1
  Fe  Fe20  1  0.597650  0.136280  0.289943  1
  Fe  Fe21  1  0.041822  0.661975  0.306864  1
  Fe  Fe22  1  0.126097  0.318791  0.345388  1
  Fe  Fe23  1  0.687760  0.517103  0.282751  1
  Fe  Fe24  1  0.769355  0.170794  0.323365  1
  Fe  Fe25  1  0.868293  0.911125  0.312938  1
  Fe  Fe26  1  0.785785  0.258201  0.276359  1
  Fe  Fe27  1  0.973482  0.793775  0.330267  1
  Fe  Fe28  1  0.896406  0.146422  0.290790  1
  Fe  Fe29  1  0.875701  0.716699  0.282922  1
  Fe  Fe30  1  0.955461  0.372330  0.321130  1
  Fe  Fe31  1  0.849043  0.483854  0.306074  1
  Fe  Fe32  1  0.933281  0.140525  0.344000  1
  Fe  Fe33  1  0.056024  0.114211  0.312585  1
  Fe  Fe34  1  0.990585  0.470597  0.272347  1
  Fe  Fe35  1  0.782009  0.617436  0.329231  1
  Fe  Fe36  1  0.700831  0.960190  0.289795  1
  Fe  Fe37  1  0.222096  0.143472  0.345296  1
  Fe  Fe38  1  0.139351  0.494149  0.308783  1
  Fe  Fe39  1  0.142456  0.965206  0.309330  1
  Fe  Fe40  1  0.093166  0.329414  0.273474  1
  Fe  Fe41  1  0.749472  0.799690  0.402440  1
  Fe  Fe42  1  0.665329  0.143755  0.364173  1
  Fe  Fe43  1  0.475739  0.306991  0.418995  1
  Fe  Fe44  1  0.392947  0.651974  0.380627  1
  Fe  Fe45  1  0.492366  0.392248  0.371690  1
  Fe  Fe46  1  0.574987  0.047140  0.410098  1
  Fe  Fe47  1  0.515744  0.623082  0.348931  1
  Fe  Fe48  1  0.597699  0.276553  0.387396  1
  Fe  Fe49  1  0.662404  0.507429  0.417317  1
  Fe  Fe50  1  0.579852  0.852408  0.378829  1
  Fe  Fe51  1  0.557165  0.622447  0.401667  1
  Fe  Fe52  1  0.473949  0.966662  0.363242  1
  Fe  Fe53  1  0.678845  0.592553  0.370075  1
  Fe  Fe54  1  0.761871  0.247732  0.408210  1
  Fe  Fe55  1  0.323748  0.444565  0.348024  1
  Fe  Fe56  1  0.406121  0.100274  0.386371  1
  Fe  Fe57  1  0.845737  0.624724  0.403104  1
  Fe  Fe58  1  0.763671  0.970439  0.364288  1
  Fe  Fe59  1  0.850362  0.102342  0.405197  1
  Fe  Fe60  1  0.767481  0.447666  0.367154  1
  Fe  Fe61  1  0.207450  0.972251  0.383464  1
  Fe  Fe62  1  0.290465  0.627602  0.421920  1
  Fe  Fe63  1  0.852269  0.825732  0.361018  1
  Fe  Fe64  1  0.934392  0.479640  0.400188  1
  Fe  Fe65  1  0.033743  0.219965  0.390973  1
  Fe  Fe66  1  0.951072  0.565780  0.352849  1
  Fe  Fe67  1  0.139365  0.104943  0.406669  1
  Fe  Fe68  1  0.056385  0.450953  0.368532  1
  Fe  Fe69  1  0.038791  0.025746  0.360072  1
  Fe  Fe70  1  0.121112  0.680383  0.398291  1
  Fe  Fe71  1  0.015886  0.795326  0.382671  1
  Fe  Fe72  1  0.098433  0.450070  0.420980  1
  Fe  Fe73  1  0.220893  0.421142  0.389291  1
  Fe  Fe74  1  0.138916  0.767107  0.350832  1
  Fe  Fe75  1  0.947425  0.929131  0.405702  1
  Fe  Fe76  1  0.865229  0.272611  0.367334  1
  Fe  Fe77  1  0.387291  0.452812  0.422101  1
  Fe  Fe78  1  0.304704  0.798019  0.383667  1
  Fe  Fe79  1  0.309620  0.275097  0.386231  1
  Fe  Fe80  1  0.226006  0.620672  0.348085  1
  Fe  Fe81  1  0.914014  0.109044  0.479219  1
  Fe  Fe82  1  0.831254  0.454383  0.440947  1
  Fe  Fe83  1  0.641122  0.616977  0.495689  1
  Fe  Fe84  1  0.558347  0.961985  0.457347  1
  Fe  Fe85  1  0.657734  0.702244  0.448426  1
  Fe  Fe86  1  0.740434  0.357191  0.486788  1
  Fe  Fe87  1  0.680652  0.932544  0.425583  1
  Fe  Fe88  1  0.763267  0.587478  0.464023  1
  Fe  Fe89  1  0.827851  0.817345  0.493948  1
  Fe  Fe90  1  0.745096  0.162477  0.455506  1
  Fe  Fe91  1  0.722322  0.932180  0.478374  1
  Fe  Fe92  1  0.639378  0.276946  0.440020  1
  Fe  Fe93  1  0.844448  0.902669  0.446746  1
  Fe  Fe94  1  0.927229  0.557603  0.484986  1
  Fe  Fe95  1  0.488855  0.755437  0.424767  1
  Fe  Fe96  1  0.571462  0.410338  0.463121  1
  Fe  Fe97  1  0.011390  0.934767  0.479668  1
  Fe  Fe98  1  0.928685  0.279874  0.441332  1
  Fe  Fe99  1  0.015710  0.412628  0.481978  1
  Fe  Fe100  1  0.932954  0.757621  0.443680  1
  Fe  Fe101  1  0.372944  0.282153  0.460185  1
  Fe  Fe102  1  0.455613  0.937087  0.498534  1
  Fe  Fe103  1  0.017081  0.134894  0.438217  1
  Fe  Fe104  1  0.099795  0.789657  0.476668  1
  Fe  Fe105  1  0.199257  0.529957  0.467746  1
  Fe  Fe106  1  0.116577  0.875317  0.429392  1
  Fe  Fe107  1  0.304875  0.415217  0.483300  1
  Fe  Fe108  1  0.222042  0.760690  0.444948  1
  Fe  Fe109  1  0.203968  0.335267  0.436585  1
  Fe  Fe110  1  0.286623  0.990219  0.474849  1
  Fe  Fe111  1  0.180909  0.104715  0.459283  1
  Fe  Fe112  1  0.263855  0.760044  0.497674  1
  Fe  Fe113  1  0.386063  0.730527  0.465965  1
  Fe  Fe114  1  0.303409  0.075694  0.427609  1
  Fe  Fe115  1  0.113004  0.238005  0.482396  1
  Fe  Fe116  1  0.030315  0.583266  0.444089  1
  Fe  Fe117  1  0.552717  0.762599  0.498798  1
  Fe  Fe118  1  0.469937  0.107625  0.460456  1
  Fe  Fe119  1  0.474613  0.584920  0.462858  1
  Fe  Fe120  1  0.391727  0.929607  0.424501  1
  Fe  Fe121  1  0.079542  0.419087  0.555911  1
  Fe  Fe122  1  0.996854  0.764347  0.517604  1
  Fe  Fe123  1  0.806449  0.926659  0.572391  1
  Fe  Fe124  1  0.723794  0.271826  0.534035  1
  Fe  Fe125  1  0.823235  0.012134  0.525151  1
  Fe  Fe126  1  0.905890  0.667086  0.563415  1
  Fe  Fe127  1  0.846003  0.242308  0.502326  1
  Fe  Fe128  1  0.928949  0.897637  0.540717  1
  Fe  Fe129  1  0.993281  0.127035  0.570608  1
  Fe  Fe130  1  0.910601  0.472396  0.532254  1
  Fe  Fe131  1  0.887816  0.241663  0.555052  1
  Fe  Fe132  1  0.804983  0.587136  0.516700  1
  Fe  Fe133  1  0.010063  0.212695  0.523332  1
  Fe  Fe134  1  0.092776  0.867458  0.561783  1
  Fe  Fe135  1  0.654245  0.065265  0.501466  1
  Fe  Fe136  1  0.736913  0.720200  0.539815  1
  Fe  Fe137  1  0.176904  0.244732  0.556320  1
  Fe  Fe138  1  0.094148  0.589724  0.518022  1
  Fe  Fe139  1  0.181172  0.722478  0.558668  1
  Fe  Fe140  1  0.098468  0.067586  0.520332  1
  Fe  Fe141  1  0.538396  0.592015  0.536879  1
  Fe  Fe142  1  0.621003  0.246915  0.575233  1
  Fe  Fe143  1  0.182629  0.444750  0.515014  1
  Fe  Fe144  1  0.265410  0.099684  0.553254  1
  Fe  Fe145  1  0.364762  0.839876  0.544494  1
  Fe  Fe146  1  0.282007  0.185007  0.506052  1
  Fe  Fe147  1  0.470480  0.725406  0.559980  1
  Fe  Fe148  1  0.387536  0.070173  0.521626  1
  Fe  Fe149  1  0.369424  0.645162  0.513212  1
  Fe  Fe150  1  0.452124  0.300109  0.551574  1
  Fe  Fe151  1  0.346591  0.414875  0.535977  1
  Fe  Fe152  1  0.429205  0.069808  0.574417  1
  Fe  Fe153  1  0.551511  0.040367  0.542653  1
  Fe  Fe154  1  0.468736  0.385375  0.504311  1
  Fe  Fe155  1  0.278604  0.547970  0.559053  1
  Fe  Fe156  1  0.195844  0.893308  0.520781  1
  Fe  Fe157  1  0.718130  0.072745  0.575499  1
  Fe  Fe158  1  0.635245  0.417433  0.537142  1
  Fe  Fe159  1  0.639921  0.894728  0.539544  1
  Fe  Fe160  1  0.557141  0.239754  0.501202  1
  Fe  Fe161  1  0.244629  0.729742  0.632666  1
  Fe  Fe162  1  0.162433  0.073221  0.594298  1
  Fe  Fe163  1  0.970941  0.235246  0.649168  1
  Fe  Fe164  1  0.888965  0.581210  0.610709  1
  Fe  Fe165  1  0.988745  0.321969  0.601709  1
  Fe  Fe166  1  0.071067  0.976607  0.639928  1
  Fe  Fe167  1  0.011425  0.552283  0.579020  1
  Fe  Fe168  1  0.093971  0.207027  0.617329  1
  Fe  Fe169  1  0.158786  0.436573  0.647151  1
  Fe  Fe170  1  0.076115  0.782388  0.609027  1
  Fe  Fe171  1  0.053472  0.551400  0.631468  1
  Fe  Fe172  1  0.970493  0.897409  0.593331  1
  Fe  Fe173  1  0.175466  0.522713  0.599812  1
  Fe  Fe174  1  0.257588  0.176620  0.638982  1
  Fe  Fe175  1  0.819393  0.374751  0.578080  1
  Fe  Fe176  1  0.902408  0.030102  0.616536  1
  Fe  Fe177  1  0.342377  0.554687  0.632846  1
  Fe  Fe178  1  0.259496  0.900011  0.594803  1
  Fe  Fe179  1  0.346187  0.031914  0.635712  1
  Fe  Fe180  1  0.264121  0.377629  0.596896  1
  Fe  Fe181  1  0.703737  0.902078  0.613629  1
  Fe  Fe182  1  0.786110  0.557788  0.651976  1
  Fe  Fe183  1  0.347987  0.754621  0.591790  1
  Fe  Fe184  1  0.431013  0.409799  0.629925  1
  Fe  Fe185  1  0.530006  0.149944  0.621171  1
  Fe  Fe186  1  0.447454  0.494924  0.582683  1
  Fe  Fe187  1  0.635909  0.035691  0.636758  1
  Fe  Fe188  1  0.552692  0.379905  0.598333  1
  Fe  Fe189  1  0.534871  0.955213  0.589902  1
  Fe  Fe190  1  0.617492  0.610105  0.628310  1
  Fe  Fe191  1  0.512159  0.725800  0.612604  1
  Fe  Fe192  1  0.594113  0.379271  0.651069  1
  Fe  Fe193  1  0.716911  0.350378  0.619373  1
  Fe  Fe194  1  0.634119  0.695362  0.581005  1
  Fe  Fe195  1  0.444529  0.858598  0.635827  1
  Fe  Fe196  1  0.360385  0.202662  0.597560  1
  Fe  Fe197  1  0.883852  0.381680  0.651915  1
  Fe  Fe198  1  0.800237  0.727255  0.613769  1
  Fe  Fe199  1  0.805153  0.204334  0.616333  1
  Fe  Fe200  1  0.722567  0.549540  0.577899  1
  Fe  Fe201  1  0.409027  0.042163  0.710205  1
  Fe  Fe202  1  0.327849  0.384917  0.670769  1
  Fe  Fe203  1  0.119273  0.531756  0.727653  1
  Fe  Fe204  1  0.053833  0.888142  0.687415  1
  Fe  Fe205  1  0.154396  0.630023  0.678870  1
  Fe  Fe206  1  0.234157  0.285654  0.717078  1
  Fe  Fe207  1  0.176577  0.861827  0.656000  1
  Fe  Fe208  1  0.260814  0.518499  0.693926  1
  Fe  Fe209  1  0.324072  0.744152  0.723641  1
  Fe  Fe210  1  0.241565  0.091227  0.687062  1
  Fe  Fe211  1  0.213452  0.855931  0.709210  1
  Fe  Fe212  1  0.136376  0.208578  0.669733  1
  Fe  Fe213  1  0.340502  0.831559  0.676635  1
  Fe  Fe214  1  0.422098  0.485250  0.717249  1
  Fe  Fe215  1  0.983761  0.683561  0.654612  1
  Fe  Fe216  1  0.068036  0.340378  0.693136  1
  Fe  Fe217  1  0.512208  0.866073  0.710057  1
  Fe  Fe218  1  0.423091  0.207581  0.671386  1
  Fe  Fe219  1  0.510248  0.340763  0.712523  1
  Fe  Fe220  1  0.429578  0.687331  0.673363  1
  Fe  Fe221  1  0.869639  0.215878  0.690584  1
  Fe  Fe222  1  0.954866  0.872555  0.728609  1
  Fe  Fe223  1  0.512116  0.063218  0.668574  1
  Fe  Fe224  1  0.596998  0.719534  0.707199  1
  Fe  Fe225  1  0.694575  0.458344  0.697745  1
  Fe  Fe226  1  0.612976  0.805059  0.659317  1
  Fe  Fe227  1  0.801152  0.349614  0.713817  1
  Fe  Fe228  1  0.718887  0.691234  0.675194  1
  Fe  Fe229  1  0.699947  0.265399  0.666694  1
  Fe  Fe230  1  0.784231  0.921573  0.704795  1
  Fe  Fe231  1  0.679852  0.037600  0.688517  1
  Fe  Fe232  1  0.751346  0.705895  0.728375  1
  Fe  Fe233  1  0.879143  0.656994  0.697257  1
  Fe  Fe234  1  0.799565  0.005518  0.657642  1
  Fe  Fe235  1  0.608732  0.170243  0.712983  1
  Fe  Fe236  1  0.524926  0.512495  0.674206  1
  Fe  Fe237  1  0.016692  0.672938  0.726526  1
  Fe  Fe238  1  0.967402  0.037147  0.690670  1
  Fe  Fe239  1  0.970507  0.508204  0.691217  1
  Fe  Fe240  1  0.887761  0.858880  0.654704  1
  C  C241  1  0.201217  0.883059  0.282083  1
  C  C242  1  0.285900  0.539422  0.319991  1
  C  C243  1  0.490584  0.445315  0.293217  1
  C  C244  1  0.571498  0.097935  0.331406  1
  C  C245  1  0.448611  0.080399  0.278313  1
  C  C246  1  0.539640  0.740911  0.315689  1
  C  C247  1  0.251659  0.181741  0.303809  1
  C  C248  1  0.335182  0.836719  0.342109  1
  C  C249  1  0.745108  0.710540  0.300601  1
  C  C250  1  0.827318  0.368219  0.339482  1
  C  C251  1  0.945794  0.610660  0.274369  1
  C  C252  1  0.033008  0.276011  0.312628  1
  C  C253  1  0.994753  0.913698  0.297551  1
  C  C254  1  0.079001  0.567989  0.335267  1
  C  C255  1  0.708145  0.353395  0.285739  1
  C  C256  1  0.794764  0.011255  0.322729  1
  C  C257  1  0.368635  0.194980  0.358198  1
  C  C258  1  0.451366  0.849941  0.396555  1
  C  C259  1  0.655191  0.753769  0.369769  1
  C  C260  1  0.737023  0.407851  0.408244  1
  C  C261  1  0.620504  0.394402  0.354242  1
  C  C262  1  0.703514  0.049711  0.392313  1
  C  C263  1  0.417796  0.491850  0.380791  1
  C  C264  1  0.500053  0.146368  0.419125  1
  C  C265  1  0.910464  0.023043  0.377222  1
  C  C266  1  0.992812  0.678005  0.415932  1
  C  C267  1  0.113605  0.926783  0.350718  1
  C  C268  1  0.196224  0.581442  0.389237  1
  C  C269  1  0.162745  0.222967  0.373499  1
  C  C270  1  0.245054  0.877795  0.411659  1
  C  C271  1  0.875946  0.664576  0.362013  1
  C  C272  1  0.959006  0.319291  0.400133  1
  C  C273  1  0.534102  0.504985  0.434908  1
  C  C274  1  0.616752  0.159920  0.473290  1
  C  C275  1  0.819902  0.063057  0.446506  1
  C  C276  1  0.902650  0.717976  0.484900  1
  C  C277  1  0.786075  0.704797  0.430782  1
  C  C278  1  0.868765  0.359565  0.469079  1
  C  C279  1  0.582988  0.801675  0.457481  1
  C  C280  1  0.665587  0.456500  0.495836  1
  C  C281  1  0.075586  0.332739  0.454221  1
  C  C282  1  0.158318  0.987729  0.492560  1
  C  C283  1  0.278838  0.236069  0.427473  1
  C  C284  1  0.361471  0.890887  0.465824  1
  C  C285  1  0.327739  0.532540  0.450057  1
  C  C286  1  0.410306  0.187414  0.488375  1
  C  C287  1  0.041515  0.974396  0.438395  1
  C  C288  1  0.124527  0.629432  0.476785  1
  C  C289  1  0.699551  0.814938  0.511625  1
  C  C290  1  0.782118  0.469813  0.549943  1
  C  C291  1  0.985330  0.372920  0.523215  1
  C  C292  1  0.068342  0.027956  0.561605  1
  C  C293  1  0.951540  0.014623  0.507440  1
  C  C294  1  0.034272  0.669614  0.545779  1
  C  C295  1  0.748387  0.111465  0.534176  1
  C  C296  1  0.831019  0.766283  0.572527  1
  C  C297  1  0.241092  0.642788  0.530921  1
  C  C298  1  0.323783  0.297556  0.569218  1
  C  C299  1  0.444271  0.545852  0.504164  1
  C  C300  1  0.526870  0.200678  0.542519  1
  C  C301  1  0.493106  0.842433  0.526710  1
  C  C302  1  0.575756  0.497368  0.565092  1
  C  C303  1  0.207207  0.284377  0.515100  1
  C  C304  1  0.289956  0.939296  0.553494  1
  C  C305  1  0.864804  0.124557  0.588341  1
  C  C306  1  0.947113  0.779385  0.626501  1
  C  C307  1  0.150852  0.683062  0.599867  1
  C  C308  1  0.233912  0.337777  0.637987  1
  C  C309  1  0.117046  0.324348  0.584068  1
  C  C310  1  0.199394  0.979309  0.622778  1
  C  C311  1  0.913633  0.420911  0.610763  1
  C  C312  1  0.996253  0.075570  0.649282  1
  C  C313  1  0.406344  0.952642  0.607687  1
  C  C314  1  0.489353  0.607951  0.645758  1
  C  C315  1  0.609805  0.855985  0.580875  1
  C  C316  1  0.692062  0.510503  0.619209  1
  C  C317  1  0.658492  0.152412  0.603445  1
  C  C318  1  0.741222  0.807373  0.641802  1
  C  C319  1  0.372834  0.594502  0.591756  1
  C  C320  1  0.454667  0.248583  0.630231  1
  C  C321  1  0.030857  0.434363  0.664733  1
  C  C322  1  0.115105  0.088655  0.702449  1
  C  C323  1  0.315093  0.991097  0.677271  1
  C  C324  1  0.401713  0.648958  0.714261  1
  C  C325  1  0.282540  0.634134  0.660518  1
  C  C326  1  0.364750  0.291813  0.699399  1
  C  C327  1  0.076850  0.726341  0.687372  1
  C  C328  1  0.164064  0.391693  0.725631  1
  C  C329  1  0.570218  0.261442  0.684311  1
  C  C330  1  0.661246  0.921954  0.721687  1
  C  C331  1  0.774675  0.165634  0.657891  1
  C  C332  1  0.858198  0.820611  0.696191  1
  C  C333  1  0.823957  0.462931  0.680009  1
  C  C334  1  0.908641  0.119294  0.717917  1
  C  C335  1  0.538360  0.904418  0.668594  1
  C  C336  1  0.619273  0.557038  0.706783  1
