# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.49790133
_cell_length_b   8.88074359
_cell_length_c   48.32911200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.13936785
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe240 C96'
_cell_volume   6105.2462746
_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  0.961511  0.005579  0.305502  1
  Fe  Fe2  1  0.649074  0.867873  0.325790  1
  Fe  Fe3  1  0.277838  0.152953  0.286803  1
  Fe  Fe4  1  0.681823  0.385701  0.305999  1
  Fe  Fe5  1  0.368588  0.252532  0.325794  1
  Fe  Fe6  1  0.994642  0.524763  0.287197  1
  Fe  Fe7  1  0.714401  0.955794  0.281793  1
  Fe  Fe8  1  0.402861  0.829856  0.299359  1
  Fe  Fe9  1  0.090199  0.682801  0.319123  1
  Fe  Fe10  1  0.919601  0.700720  0.315974  1
  Fe  Fe11  1  0.606368  0.564472  0.334597  1
  Fe  Fe12  1  0.233416  0.841549  0.297487  1
  Fe  Fe13  1  0.735054  0.681631  0.298623  1
  Fe  Fe14  1  0.413568  0.552460  0.316759  1
  Fe  Fe15  1  0.043526  0.802045  0.280204  1
  Fe  Fe16  1  0.816889  0.876424  0.325100  1
  Fe  Fe17  1  0.444212  0.146936  0.286927  1
  Fe  Fe18  1  0.128255  0.017101  0.305880  1
  Fe  Fe19  1  0.896656  0.246067  0.300856  1
  Fe  Fe20  1  0.586138  0.106487  0.318787  1
  Fe  Fe21  1  0.213936  0.392949  0.281659  1
  Fe  Fe22  1  0.824028  0.485931  0.284021  1
  Fe  Fe23  1  0.517188  0.383697  0.307415  1
  Fe  Fe24  1  0.203081  0.243125  0.326558  1
  Fe  Fe25  1  0.929474  0.437344  0.332291  1
  Fe  Fe26  1  0.558010  0.719981  0.294151  1
  Fe  Fe27  1  0.241149  0.577949  0.313818  1
  Fe  Fe28  1  0.746298  0.153503  0.313626  1
  Fe  Fe29  1  0.432152  0.013026  0.331960  1
  Fe  Fe30  1  0.060463  0.289652  0.295124  1
  Fe  Fe31  1  0.024558  0.592431  0.362380  1
  Fe  Fe32  1  0.710711  0.452415  0.380984  1
  Fe  Fe33  1  0.337531  0.730880  0.343565  1
  Fe  Fe34  1  0.742946  0.972435  0.362439  1
  Fe  Fe35  1  0.429889  0.832892  0.381046  1
  Fe  Fe36  1  0.055339  0.110024  0.343869  1
  Fe  Fe37  1  0.777287  0.542537  0.337741  1
  Fe  Fe38  1  0.463817  0.404625  0.355737  1
  Fe  Fe39  1  0.150387  0.265189  0.374187  1
  Fe  Fe40  1  0.980672  0.285938  0.371356  1
  Fe  Fe41  1  0.667510  0.146787  0.389882  1
  Fe  Fe42  1  0.292722  0.425362  0.352909  1
  Fe  Fe43  1  0.785632  0.277566  0.353664  1
  Fe  Fe44  1  0.472622  0.140236  0.371594  1
  Fe  Fe45  1  0.098172  0.416696  0.335143  1
  Fe  Fe46  1  0.877029  0.459277  0.380163  1
  Fe  Fe47  1  0.503261  0.735968  0.343222  1
  Fe  Fe48  1  0.189642  0.599002  0.361599  1
  Fe  Fe49  1  0.960085  0.831397  0.356040  1
  Fe  Fe50  1  0.646864  0.690876  0.374746  1
  Fe  Fe51  1  0.272119  0.971056  0.337949  1
  Fe  Fe52  1  0.889665  0.104139  0.345079  1
  Fe  Fe53  1  0.576401  0.965746  0.363583  1
  Fe  Fe54  1  0.263932  0.825870  0.382103  1
  Fe  Fe55  1  0.989940  0.019751  0.387880  1
  Fe  Fe56  1  0.615561  0.298185  0.350645  1
  Fe  Fe57  1  0.302703  0.159252  0.369191  1
  Fe  Fe58  1  0.807025  0.733886  0.369009  1
  Fe  Fe59  1  0.493649  0.594591  0.387343  1
  Fe  Fe60  1  0.118560  0.873540  0.349956  1
  Fe  Fe61  1  0.084614  0.173833  0.417900  1
  Fe  Fe62  1  0.771691  0.034670  0.436383  1
  Fe  Fe63  1  0.397454  0.312917  0.399376  1
  Fe  Fe64  1  0.803933  0.554473  0.418185  1
  Fe  Fe65  1  0.490980  0.415038  0.436607  1
  Fe  Fe66  1  0.116878  0.693911  0.399697  1
  Fe  Fe67  1  0.837501  0.126021  0.392740  1
  Fe  Fe68  1  0.524629  0.986775  0.411210  1
  Fe  Fe69  1  0.211575  0.847839  0.429755  1
  Fe  Fe70  1  0.041522  0.868503  0.426930  1
  Fe  Fe71  1  0.728638  0.729377  0.445465  1
  Fe  Fe72  1  0.354235  0.007508  0.408410  1
  Fe  Fe73  1  0.847167  0.859853  0.409251  1
  Fe  Fe74  1  0.533994  0.720827  0.427581  1
  Fe  Fe75  1  0.160032  0.998812  0.390688  1
  Fe  Fe76  1  0.937745  0.042312  0.435578  1
  Fe  Fe77  1  0.564049  0.320136  0.398666  1
  Fe  Fe78  1  0.250743  0.181170  0.417077  1
  Fe  Fe79  1  0.020712  0.412268  0.411748  1
  Fe  Fe80  1  0.707779  0.273092  0.430241  1
  Fe  Fe81  1  0.333574  0.551282  0.393254  1
  Fe  Fe82  1  0.950937  0.686882  0.400683  1
  Fe  Fe83  1  0.637852  0.547442  0.419103  1
  Fe  Fe84  1  0.324839  0.407754  0.437486  1
  Fe  Fe85  1  0.051030  0.602010  0.443355  1
  Fe  Fe86  1  0.676884  0.880602  0.406329  1
  Fe  Fe87  1  0.364013  0.741279  0.424795  1
  Fe  Fe88  1  0.867866  0.315920  0.424361  1
  Fe  Fe89  1  0.554642  0.176910  0.442739  1
  Fe  Fe90  1  0.180909  0.455057  0.405904  1
  Fe  Fe91  1  0.145766  0.756131  0.473386  1
  Fe  Fe92  1  0.832786  0.616958  0.491897  1
  Fe  Fe93  1  0.458771  0.895428  0.454849  1
  Fe  Fe94  1  0.865011  0.136818  0.473740  1
  Fe  Fe95  1  0.552060  0.997519  0.492197  1
  Fe  Fe96  1  0.178017  0.276021  0.455215  1
  Fe  Fe97  1  0.898579  0.708629  0.448292  1
  Fe  Fe98  1  0.585687  0.569356  0.466744  1
  Fe  Fe99  1  0.272791  0.430158  0.485241  1
  Fe  Fe100  1  0.102640  0.450782  0.482434  1
  Fe  Fe101  1  0.789687  0.311553  0.500954  1
  Fe  Fe102  1  0.415654  0.589959  0.463930  1
  Fe  Fe103  1  0.908177  0.442025  0.464701  1
  Fe  Fe104  1  0.595196  0.302842  0.483171  1
  Fe  Fe105  1  0.221121  0.581315  0.446171  1
  Fe  Fe106  1  0.998900  0.624395  0.491089  1
  Fe  Fe107  1  0.624835  0.902936  0.454067  1
  Fe  Fe108  1  0.311900  0.763530  0.472576  1
  Fe  Fe109  1  0.081841  0.994616  0.467250  1
  Fe  Fe110  1  0.768887  0.855385  0.485758  1
  Fe  Fe111  1  0.394888  0.133792  0.448684  1
  Fe  Fe112  1  0.011878  0.268441  0.455984  1
  Fe  Fe113  1  0.698926  0.129238  0.474493  1
  Fe  Fe114  1  0.386019  0.990071  0.492990  1
  Fe  Fe115  1  0.112180  0.184271  0.498840  1
  Fe  Fe116  1  0.738033  0.462767  0.461864  1
  Fe  Fe117  1  0.425133  0.323517  0.480342  1
  Fe  Fe118  1  0.929004  0.898309  0.479873  1
  Fe  Fe119  1  0.615912  0.759101  0.498349  1
  Fe  Fe120  1  0.241963  0.037494  0.461356  1
  Fe  Fe121  1  0.206943  0.338407  0.528858  1
  Fe  Fe122  1  0.893938  0.199203  0.547382  1
  Fe  Fe123  1  0.519895  0.477706  0.510400  1
  Fe  Fe124  1  0.926189  0.719094  0.529211  1
  Fe  Fe125  1  0.613184  0.579796  0.547748  1
  Fe  Fe126  1  0.239169  0.858267  0.510700  1
  Fe  Fe127  1  0.959775  0.290953  0.503757  1
  Fe  Fe128  1  0.646822  0.151707  0.522255  1
  Fe  Fe129  1  0.333921  0.012458  0.540734  1
  Fe  Fe130  1  0.163778  0.033199  0.537897  1
  Fe  Fe131  1  0.850834  0.893909  0.556427  1
  Fe  Fe132  1  0.476759  0.172383  0.519427  1
  Fe  Fe133  1  0.969315  0.024443  0.520164  1
  Fe  Fe134  1  0.656300  0.885266  0.538667  1
  Fe  Fe135  1  0.282268  0.163671  0.501643  1
  Fe  Fe136  1  0.060077  0.206784  0.546614  1
  Fe  Fe137  1  0.685936  0.485153  0.509608  1
  Fe  Fe138  1  0.373028  0.345987  0.528104  1
  Fe  Fe139  1  0.142951  0.576916  0.522725  1
  Fe  Fe140  1  0.829992  0.437731  0.541242  1
  Fe  Fe141  1  0.456042  0.716124  0.504249  1
  Fe  Fe142  1  0.073055  0.850830  0.511508  1
  Fe  Fe143  1  0.760054  0.711695  0.530021  1
  Fe  Fe144  1  0.447120  0.572289  0.548530  1
  Fe  Fe145  1  0.173375  0.766596  0.554306  1
  Fe  Fe146  1  0.799164  0.045067  0.517357  1
  Fe  Fe147  1  0.486268  0.905869  0.535854  1
  Fe  Fe148  1  0.990114  0.480608  0.535347  1
  Fe  Fe149  1  0.677067  0.341433  0.553913  1
  Fe  Fe150  1  0.303068  0.619840  0.516839  1
  Fe  Fe151  1  0.268022  0.920751  0.584413  1
  Fe  Fe152  1  0.955077  0.781314  0.602900  1
  Fe  Fe153  1  0.580975  0.060187  0.565991  1
  Fe  Fe154  1  0.987340  0.301391  0.584698  1
  Fe  Fe155  1  0.674501  0.162308  0.603222  1
  Fe  Fe156  1  0.300264  0.440554  0.566214  1
  Fe  Fe157  1  0.020925  0.873215  0.559243  1
  Fe  Fe158  1  0.707942  0.733946  0.577802  1
  Fe  Fe159  1  0.395071  0.594623  0.596268  1
  Fe  Fe160  1  0.224788  0.615372  0.593346  1
  Fe  Fe161  1  0.911923  0.476412  0.611910  1
  Fe  Fe162  1  0.537960  0.754398  0.575017  1
  Fe  Fe163  1  0.030433  0.606722  0.575667  1
  Fe  Fe164  1  0.717720  0.467717  0.594188  1
  Fe  Fe165  1  0.343317  0.745848  0.557133  1
  Fe  Fe166  1  0.121017  0.788342  0.601914  1
  Fe  Fe167  1  0.747116  0.067471  0.565112  1
  Fe  Fe168  1  0.434103  0.927783  0.583495  1
  Fe  Fe169  1  0.204088  0.159304  0.578237  1
  Fe  Fe170  1  0.891046  0.020168  0.596694  1
  Fe  Fe171  1  0.517313  0.298315  0.559858  1
  Fe  Fe172  1  0.134210  0.432912  0.567019  1
  Fe  Fe173  1  0.821212  0.294054  0.585520  1
  Fe  Fe174  1  0.507906  0.155089  0.603931  1
  Fe  Fe175  1  0.234454  0.349204  0.609858  1
  Fe  Fe176  1  0.860380  0.627386  0.572842  1
  Fe  Fe177  1  0.547326  0.488450  0.591388  1
  Fe  Fe178  1  0.051243  0.062957  0.590849  1
  Fe  Fe179  1  0.738381  0.923942  0.609344  1
  Fe  Fe180  1  0.364175  0.202133  0.572356  1
  Fe  Fe181  1  0.329009  0.502790  0.640159  1
  Fe  Fe182  1  0.016616  0.365200  0.658728  1
  Fe  Fe183  1  0.642066  0.642333  0.621551  1
  Fe  Fe184  1  0.047396  0.882794  0.640218  1
  Fe  Fe185  1  0.734423  0.744345  0.659033  1
  Fe  Fe186  1  0.361244  0.022809  0.621614  1
  Fe  Fe187  1  0.082015  0.455474  0.614718  1
  Fe  Fe188  1  0.769252  0.315973  0.633407  1
  Fe  Fe189  1  0.456394  0.177040  0.651952  1
  Fe  Fe190  1  0.286323  0.197658  0.648933  1
  Fe  Fe191  1  0.973783  0.058529  0.667454  1
  Fe  Fe192  1  0.599332  0.334989  0.631004  1
  Fe  Fe193  1  0.091283  0.189287  0.631241  1
  Fe  Fe194  1  0.779233  0.049863  0.649688  1
  Fe  Fe195  1  0.404445  0.328438  0.612715  1
  Fe  Fe196  1  0.182290  0.371085  0.657519  1
  Fe  Fe197  1  0.808022  0.649355  0.620495  1
  Fe  Fe198  1  0.495554  0.509478  0.639015  1
  Fe  Fe199  1  0.264930  0.741339  0.633588  1
  Fe  Fe200  1  0.953394  0.601684  0.652641  1
  Fe  Fe201  1  0.578306  0.880633  0.615254  1
  Fe  Fe202  1  0.194926  0.015948  0.622434  1
  Fe  Fe203  1  0.882313  0.876223  0.640998  1
  Fe  Fe204  1  0.568694  0.739257  0.659376  1
  Fe  Fe205  1  0.294668  0.932688  0.664857  1
  Fe  Fe206  1  0.921568  0.210035  0.628411  1
  Fe  Fe207  1  0.608138  0.070600  0.646860  1
  Fe  Fe208  1  0.111870  0.643828  0.646558  1
  Fe  Fe209  1  0.799836  0.504168  0.664649  1
  Fe  Fe210  1  0.425091  0.784349  0.627851  1
  Fe  Fe211  1  0.390131  0.089524  0.696599  1
  Fe  Fe212  1  0.077313  0.950462  0.715400  1
  Fe  Fe213  1  0.703367  0.222692  0.676803  1
  Fe  Fe214  1  0.110444  0.469646  0.697096  1
  Fe  Fe215  1  0.794117  0.322272  0.715795  1
  Fe  Fe216  1  0.422880  0.607352  0.676807  1
  Fe  Fe217  1  0.142481  0.037881  0.670306  1
  Fe  Fe218  1  0.830806  0.897276  0.688780  1
  Fe  Fe219  1  0.513945  0.755244  0.708447  1
  Fe  Fe220  1  0.336901  0.793593  0.703975  1
  Fe  Fe221  1  0.028429  0.673180  0.722393  1
  Fe  Fe222  1  0.658387  0.922765  0.685839  1
  Fe  Fe223  1  0.152354  0.774505  0.686624  1
  Fe  Fe224  1  0.838539  0.633675  0.705110  1
  Fe  Fe225  1  0.465587  0.910753  0.668001  1
  Fe  Fe226  1  0.247927  0.989294  0.718576  1
  Fe  Fe227  1  0.868874  0.232100  0.676040  1
  Fe  Fe228  1  0.554767  0.091528  0.695183  1
  Fe  Fe229  1  0.325657  0.321722  0.688972  1
  Fe  Fe230  1  0.011492  0.185573  0.707473  1
  Fe  Fe231  1  0.639802  0.462199  0.670638  1
  Fe  Fe232  1  0.255066  0.598801  0.677497  1
  Fe  Fe233  1  0.943699  0.458123  0.696718  1
  Fe  Fe234  1  0.627743  0.328289  0.715670  1
  Fe  Fe235  1  0.357554  0.519430  0.720804  1
  Fe  Fe236  1  0.981756  0.792424  0.683474  1
  Fe  Fe237  1  0.669094  0.645369  0.703239  1
  Fe  Fe238  1  0.175299  0.229158  0.701741  1
  Fe  Fe239  1  0.858019  0.082276  0.720939  1
  Fe  Fe240  1  0.485817  0.368738  0.683811  1
  C  C241  1  0.836222  0.034327  0.297367  1
  C  C242  1  0.525030  0.894881  0.315694  1
  C  C243  1  0.213054  0.758764  0.334221  1
  C  C244  1  0.987502  0.260439  0.330215  1
  C  C245  1  0.616453  0.543333  0.294258  1
  C  C246  1  0.300146  0.402017  0.312104  1
  C  C247  1  0.658386  0.134894  0.283457  1
  C  C248  1  0.341549  0.002628  0.302604  1
  C  C249  1  0.030318  0.858009  0.319873  1
  C  C250  1  0.805974  0.365574  0.317317  1
  C  C251  1  0.431417  0.651584  0.281292  1
  C  C252  1  0.118313  0.502721  0.298645  1
  C  C253  1  0.900067  0.619216  0.352822  1
  C  C254  1  0.586412  0.479105  0.371138  1
  C  C255  1  0.273217  0.339583  0.389437  1
  C  C256  1  0.048744  0.843712  0.385955  1
  C  C257  1  0.674455  0.122189  0.348860  1
  C  C258  1  0.361773  0.983396  0.367592  1
  C  C259  1  0.718281  0.718506  0.339073  1
  C  C260  1  0.404293  0.579915  0.357577  1
  C  C261  1  0.091786  0.441434  0.376096  1
  C  C262  1  0.866902  0.945856  0.372745  1
  C  C263  1  0.493232  0.224811  0.334982  1
  C  C264  1  0.179537  0.084677  0.354166  1
  C  C265  1  0.960436  0.200547  0.407903  1
  C  C266  1  0.647470  0.061370  0.426430  1
  C  C267  1  0.334487  0.922060  0.444958  1
  C  C268  1  0.109871  0.425975  0.441551  1
  C  C269  1  0.735856  0.704695  0.404592  1
  C  C270  1  0.422837  0.565213  0.423032  1
  C  C271  1  0.778737  0.302109  0.394549  1
  C  C272  1  0.465632  0.162658  0.412885  1
  C  C273  1  0.152737  0.023876  0.431573  1
  C  C274  1  0.928106  0.527681  0.428172  1
  C  C275  1  0.554109  0.806316  0.391041  1
  C  C276  1  0.241054  0.666906  0.409636  1
  C  C277  1  0.021531  0.782883  0.463462  1
  C  C278  1  0.708531  0.643662  0.481985  1
  C  C279  1  0.395662  0.504418  0.500467  1
  C  C280  1  0.171043  0.008257  0.497040  1
  C  C281  1  0.796906  0.286766  0.460052  1
  C  C282  1  0.483977  0.147494  0.478506  1
  C  C283  1  0.839853  0.884802  0.450073  1
  C  C284  1  0.526864  0.745418  0.468517  1
  C  C285  1  0.213892  0.606132  0.487042  1
  C  C286  1  0.989274  0.110078  0.483633  1
  C  C287  1  0.615161  0.388484  0.446641  1
  C  C288  1  0.302275  0.249248  0.465109  1
  C  C289  1  0.082681  0.365147  0.518964  1
  C  C290  1  0.769680  0.225977  0.537489  1
  C  C291  1  0.456794  0.086741  0.555956  1
  C  C292  1  0.232102  0.590423  0.552525  1
  C  C293  1  0.858063  0.869092  0.515555  1
  C  C294  1  0.545091  0.729806  0.534080  1
  C  C295  1  0.900912  0.466968  0.505558  1
  C  C296  1  0.587978  0.327731  0.524091  1
  C  C297  1  0.275049  0.188458  0.542546  1
  C  C298  1  0.050424  0.692342  0.539135  1
  C  C299  1  0.676293  0.970807  0.502130  1
  C  C300  1  0.363424  0.831563  0.520612  1
  C  C301  1  0.143849  0.947544  0.574425  1
  C  C302  1  0.830901  0.808318  0.592961  1
  C  C303  1  0.517846  0.668909  0.611557  1
  C  C304  1  0.293217  0.173116  0.608049  1
  C  C305  1  0.919218  0.451349  0.571024  1
  C  C306  1  0.606322  0.312566  0.589713  1
  C  C307  1  0.962084  0.049250  0.561047  1
  C  C308  1  0.649118  0.910012  0.579565  1
  C  C309  1  0.336099  0.770529  0.598005  1
  C  C310  1  0.111519  0.274677  0.594694  1
  C  C311  1  0.737468  0.553164  0.557639  1
  C  C312  1  0.424485  0.413855  0.576167  1
  C  C313  1  0.205053  0.529369  0.629853  1
  C  C314  1  0.892417  0.390547  0.648431  1
  C  C315  1  0.578723  0.250414  0.667616  1
  C  C316  1  0.353674  0.756718  0.663525  1
  C  C317  1  0.980169  0.033791  0.626501  1
  C  C318  1  0.667662  0.895310  0.645021  1
  C  C319  1  0.023210  0.631512  0.616642  1
  C  C320  1  0.710182  0.491828  0.635006  1
  C  C321  1  0.397500  0.353035  0.653737  1
  C  C322  1  0.171888  0.856009  0.649775  1
  C  C323  1  0.798738  0.135641  0.613161  1
  C  C324  1  0.485543  0.996120  0.631459  1
  C  C325  1  0.265980  0.109651  0.685280  1
  C  C326  1  0.953642  0.972504  0.703953  1
  C  C327  1  0.640538  0.823641  0.721306  1
  C  C328  1  0.413569  0.340331  0.719141  1
  C  C329  1  0.041637  0.617215  0.682724  1
  C  C330  1  0.730406  0.472596  0.699993  1
  C  C331  1  0.084453  0.214786  0.672382  1
  C  C332  1  0.771809  0.073208  0.690494  1
  C  C333  1  0.455502  0.931891  0.708340  1
  C  C334  1  0.235733  0.440898  0.705230  1
  C  C335  1  0.858901  0.716460  0.668377  1
  C  C336  1  0.546925  0.580344  0.686904  1
