# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56296414
_cell_length_b   19.69697611
_cell_length_c   49.35349922
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.04321882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe180 C72'
_cell_volume   4411.07413273
_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  0.651332  0.932688  0.326768  1
  Fe  Fe2  1  0.675009  0.647600  0.299983  1
  Fe  Fe3  1  0.692847  0.363666  0.274738  1
  Fe  Fe4  1  0.844256  0.873608  0.289595  1
  Fe  Fe5  1  0.791050  0.442813  0.341946  1
  Fe  Fe6  1  0.815705  0.158709  0.315695  1
  Fe  Fe7  1  0.020631  0.083072  0.287577  1
  Fe  Fe8  1  0.980821  0.651629  0.340031  1
  Fe  Fe9  1  0.001298  0.367956  0.314778  1
  Fe  Fe10  1  0.508423  0.051231  0.305985  1
  Fe  Fe11  1  0.527074  0.769075  0.279957  1
  Fe  Fe12  1  0.487657  0.335816  0.331683  1
  Fe  Fe13  1  0.980177  0.757091  0.310955  1
  Fe  Fe14  1  0.005565  0.470630  0.285610  1
  Fe  Fe15  1  0.958782  0.040507  0.336713  1
  Fe  Fe16  1  0.167591  0.956592  0.315160  1
  Fe  Fe17  1  0.179873  0.670434  0.288584  1
  Fe  Fe18  1  0.138452  0.238188  0.340478  1
  Fe  Fe19  1  0.584654  0.961985  0.272462  1
  Fe  Fe20  1  0.481313  0.541221  0.323537  1
  Fe  Fe21  1  0.498362  0.256320  0.299588  1
  Fe  Fe22  1  0.326165  0.854482  0.302487  1
  Fe  Fe23  1  0.352924  0.566611  0.276142  1
  Fe  Fe24  1  0.304045  0.137520  0.328114  1
  Fe  Fe25  1  0.463026  0.724500  0.327563  1
  Fe  Fe26  1  0.483592  0.439460  0.302297  1
  Fe  Fe27  1  0.511345  0.153993  0.276379  1
  Fe  Fe28  1  0.961106  0.834927  0.344457  1
  Fe  Fe29  1  0.986082  0.551227  0.318805  1
  Fe  Fe30  1  0.008292  0.265561  0.293405  1
  Fe  Fe31  1  0.579003  0.783748  0.403461  1
  Fe  Fe32  1  0.603054  0.500541  0.377677  1
  Fe  Fe33  1  0.627310  0.216641  0.352344  1
  Fe  Fe34  1  0.767156  0.726306  0.367052  1
  Fe  Fe35  1  0.720489  0.293454  0.418715  1
  Fe  Fe36  1  0.744525  0.009826  0.392997  1
  Fe  Fe37  1  0.954379  0.935330  0.366205  1
  Fe  Fe38  1  0.907375  0.502432  0.417251  1
  Fe  Fe39  1  0.930987  0.218823  0.391812  1
  Fe  Fe40  1  0.438073  0.902648  0.383073  1
  Fe  Fe41  1  0.462460  0.619867  0.356662  1
  Fe  Fe42  1  0.414195  0.186296  0.408639  1
  Fe  Fe43  1  0.909252  0.607420  0.387861  1
  Fe  Fe44  1  0.933578  0.323541  0.362376  1
  Fe  Fe45  1  0.885139  0.890794  0.413585  1
  Fe  Fe46  1  0.090761  0.805927  0.391732  1
  Fe  Fe47  1  0.115908  0.523371  0.366155  1
  Fe  Fe48  1  0.067115  0.089681  0.417445  1
  Fe  Fe49  1  0.457771  0.824912  0.349267  1
  Fe  Fe50  1  0.408983  0.391996  0.400740  1
  Fe  Fe51  1  0.434765  0.108446  0.374908  1
  Fe  Fe52  1  0.255634  0.704166  0.378897  1
  Fe  Fe53  1  0.280077  0.419970  0.353578  1
  Fe  Fe54  1  0.232655  0.987576  0.404716  1
  Fe  Fe55  1  0.392358  0.575003  0.404620  1
  Fe  Fe56  1  0.416202  0.291088  0.379236  1
  Fe  Fe57  1  0.441417  0.007986  0.353612  1
  Fe  Fe58  1  0.889190  0.685369  0.421327  1
  Fe  Fe59  1  0.914423  0.401851  0.395819  1
  Fe  Fe60  1  0.937821  0.118273  0.370180  1
  Fe  Fe61  1  0.507177  0.634557  0.480390  1
  Fe  Fe62  1  0.531315  0.351138  0.454738  1
  Fe  Fe63  1  0.555087  0.067422  0.429155  1
  Fe  Fe64  1  0.696261  0.576936  0.444089  1
  Fe  Fe65  1  0.648587  0.144155  0.495532  1
  Fe  Fe66  1  0.672500  0.860439  0.469857  1
  Fe  Fe67  1  0.882974  0.785817  0.442954  1
  Fe  Fe68  1  0.835302  0.353151  0.494238  1
  Fe  Fe69  1  0.859059  0.069522  0.468618  1
  Fe  Fe70  1  0.366239  0.753384  0.459728  1
  Fe  Fe71  1  0.390464  0.470193  0.434023  1
  Fe  Fe72  1  0.342393  0.037098  0.485422  1
  Fe  Fe73  1  0.837395  0.458096  0.464853  1
  Fe  Fe74  1  0.861179  0.174398  0.439246  1
  Fe  Fe75  1  0.813222  0.741367  0.490463  1
  Fe  Fe76  1  0.019017  0.656668  0.468637  1
  Fe  Fe77  1  0.043476  0.373516  0.443056  1
  Fe  Fe78  1  0.995190  0.940355  0.494269  1
  Fe  Fe79  1  0.386334  0.675436  0.426102  1
  Fe  Fe80  1  0.337364  0.242671  0.477611  1
  Fe  Fe81  1  0.361410  0.958963  0.451959  1
  Fe  Fe82  1  0.184440  0.554803  0.455853  1
  Fe  Fe83  1  0.208429  0.271094  0.430377  1
  Fe  Fe84  1  0.160310  0.838084  0.481549  1
  Fe  Fe85  1  0.320608  0.425747  0.481607  1
  Fe  Fe86  1  0.344549  0.141985  0.456061  1
  Fe  Fe87  1  0.368600  0.858444  0.430363  1
  Fe  Fe88  1  0.817550  0.536067  0.498335  1
  Fe  Fe89  1  0.842216  0.252577  0.472717  1
  Fe  Fe90  1  0.866309  0.968890  0.447065  1
  Fe  Fe91  1  0.435426  0.485247  0.557397  1
  Fe  Fe92  1  0.459187  0.201744  0.531629  1
  Fe  Fe93  1  0.483101  0.918028  0.505954  1
  Fe  Fe94  1  0.624511  0.427626  0.521097  1
  Fe  Fe95  1  0.576601  0.994761  0.572331  1
  Fe  Fe96  1  0.600373  0.711045  0.546748  1
  Fe  Fe97  1  0.811079  0.636436  0.519879  1
  Fe  Fe98  1  0.763088  0.203739  0.571124  1
  Fe  Fe99  1  0.787139  0.920198  0.545426  1
  Fe  Fe100  1  0.294293  0.604087  0.536633  1
  Fe  Fe101  1  0.318465  0.320816  0.511023  1
  Fe  Fe102  1  0.270508  0.887785  0.562240  1
  Fe  Fe103  1  0.765449  0.308799  0.541758  1
  Fe  Fe104  1  0.789295  0.025085  0.516064  1
  Fe  Fe105  1  0.741223  0.591990  0.567463  1
  Fe  Fe106  1  0.947248  0.507380  0.545633  1
  Fe  Fe107  1  0.971378  0.224099  0.519937  1
  Fe  Fe108  1  0.923259  0.791089  0.571110  1
  Fe  Fe109  1  0.314138  0.526116  0.503151  1
  Fe  Fe110  1  0.265379  0.093293  0.554421  1
  Fe  Fe111  1  0.289472  0.809606  0.528769  1
  Fe  Fe112  1  0.112671  0.405515  0.532849  1
  Fe  Fe113  1  0.136498  0.121827  0.507217  1
  Fe  Fe114  1  0.088212  0.688667  0.558430  1
  Fe  Fe115  1  0.248714  0.276366  0.558532  1
  Fe  Fe116  1  0.272629  0.992661  0.532868  1
  Fe  Fe117  1  0.296386  0.709032  0.507248  1
  Fe  Fe118  1  0.745354  0.386747  0.575384  1
  Fe  Fe119  1  0.770278  0.103220  0.549527  1
  Fe  Fe120  1  0.794324  0.819512  0.523875  1
  Fe  Fe121  1  0.364532  0.335877  0.634434  1
  Fe  Fe122  1  0.387163  0.052357  0.608489  1
  Fe  Fe123  1  0.411199  0.768729  0.582771  1
  Fe  Fe124  1  0.552685  0.278435  0.598025  1
  Fe  Fe125  1  0.504378  0.845542  0.649142  1
  Fe  Fe126  1  0.528634  0.561642  0.623810  1
  Fe  Fe127  1  0.739330  0.487180  0.596866  1
  Fe  Fe128  1  0.690271  0.054197  0.647874  1
  Fe  Fe129  1  0.715486  0.771095  0.622250  1
  Fe  Fe130  1  0.222436  0.454763  0.613625  1
  Fe  Fe131  1  0.246549  0.171389  0.587901  1
  Fe  Fe132  1  0.198110  0.738642  0.639110  1
  Fe  Fe133  1  0.693615  0.159535  0.618413  1
  Fe  Fe134  1  0.717493  0.875887  0.592847  1
  Fe  Fe135  1  0.669228  0.442316  0.644824  1
  Fe  Fe136  1  0.876054  0.358017  0.622589  1
  Fe  Fe137  1  0.899033  0.074607  0.596770  1
  Fe  Fe138  1  0.851611  0.642213  0.647908  1
  Fe  Fe139  1  0.242498  0.376814  0.580159  1
  Fe  Fe140  1  0.193867  0.943910  0.631306  1
  Fe  Fe141  1  0.217265  0.660332  0.605667  1
  Fe  Fe142  1  0.040927  0.256256  0.609754  1
  Fe  Fe143  1  0.064573  0.972502  0.584041  1
  Fe  Fe144  1  0.015779  0.538811  0.635331  1
  Fe  Fe145  1  0.177309  0.126853  0.635281  1
  Fe  Fe146  1  0.200700  0.843360  0.609674  1
  Fe  Fe147  1  0.224313  0.559751  0.584235  1
  Fe  Fe148  1  0.673917  0.237271  0.652219  1
  Fe  Fe149  1  0.696922  0.953737  0.626578  1
  Fe  Fe150  1  0.722705  0.670187  0.600746  1
  Fe  Fe151  1  0.287432  0.188575  0.711891  1
  Fe  Fe152  1  0.315983  0.903473  0.685791  1
  Fe  Fe153  1  0.340638  0.619370  0.659540  1
  Fe  Fe154  1  0.480356  0.129495  0.674718  1
  Fe  Fe155  1  0.438840  0.698517  0.726748  1
  Fe  Fe156  1  0.456679  0.414583  0.701503  1
  Fe  Fe157  1  0.668662  0.337683  0.673923  1
  Fe  Fe158  1  0.620343  0.908190  0.725107  1
  Fe  Fe159  1  0.648096  0.622723  0.699189  1
  Fe  Fe160  1  0.151510  0.305092  0.690531  1
  Fe  Fe161  1  0.172906  0.021676  0.664773  1
  Fe  Fe162  1  0.126123  0.591553  0.715876  1
  Fe  Fe163  1  0.623265  0.010952  0.695501  1
  Fe  Fe164  1  0.644031  0.726367  0.669803  1
  Fe  Fe165  1  0.604614  0.293108  0.721530  1
  Fe  Fe166  1  0.805523  0.207701  0.698999  1
  Fe  Fe167  1  0.827643  0.924663  0.673372  1
  Fe  Fe168  1  0.778764  0.495572  0.725344  1
  Fe  Fe169  1  0.170582  0.227256  0.657029  1
  Fe  Fe170  1  0.123395  0.796622  0.708081  1
  Fe  Fe171  1  0.145606  0.510955  0.682681  1
  Fe  Fe172  1  0.964096  0.105591  0.686326  1
  Fe  Fe173  1  0.993236  0.823995  0.661008  1
  Fe  Fe174  1  0.951814  0.391749  0.712902  1
  Fe  Fe175  1  0.111057  0.979111  0.713909  1
  Fe  Fe176  1  0.130390  0.694227  0.686708  1
  Fe  Fe177  1  0.150867  0.410554  0.661455  1
  Fe  Fe178  1  0.547033  0.100198  0.729024  1
  Fe  Fe179  1  0.633326  0.805863  0.701898  1
  Fe  Fe180  1  0.650375  0.520962  0.677949  1
  C  C181  1  0.292582  0.910592  0.346794  1
  C  C182  1  0.317274  0.626902  0.320314  1
  C  C183  1  0.338379  0.342233  0.295455  1
  C  C184  1  0.655737  0.810829  0.315637  1
  C  C185  1  0.683226  0.524992  0.290324  1
  C  C186  1  0.633705  0.094039  0.341358  1
  C  C187  1  0.834910  0.998105  0.301486  1
  C  C188  1  0.854752  0.716175  0.275746  1
  C  C189  1  0.810397  0.281614  0.326849  1
  C  C190  1  0.206770  0.902038  0.271019  1
  C  C191  1  0.150114  0.465591  0.322058  1
  C  C192  1  0.175850  0.180209  0.295818  1
  C  C193  1  0.220396  0.760983  0.423439  1
  C  C194  1  0.244873  0.477702  0.397718  1
  C  C195  1  0.268726  0.194002  0.372344  1
  C  C196  1  0.584876  0.661164  0.392522  1
  C  C197  1  0.609684  0.377309  0.367317  1
  C  C198  1  0.561749  0.944744  0.418473  1
  C  C199  1  0.761859  0.848905  0.378025  1
  C  C200  1  0.786231  0.565802  0.352283  1
  C  C201  1  0.737996  0.132507  0.403694  1
  C  C202  1  0.126473  0.749321  0.347218  1
  C  C203  1  0.078859  0.316160  0.398697  1
  C  C204  1  0.103237  0.032697  0.373043  1
  C  C205  1  0.148474  0.611669  0.500341  1
  C  C206  1  0.172770  0.328343  0.474723  1
  C  C207  1  0.196510  0.044608  0.449130  1
  C  C208  1  0.513539  0.511964  0.469607  1
  C  C209  1  0.537516  0.228262  0.444132  1
  C  C210  1  0.489524  0.795254  0.495279  1
  C  C211  1  0.690011  0.699536  0.454881  1
  C  C212  1  0.714212  0.416279  0.429293  1
  C  C213  1  0.666101  0.983243  0.480546  1
  C  C214  1  0.055058  0.599842  0.424154  1
  C  C215  1  0.007084  0.166926  0.475539  1
  C  C216  1  0.031059  0.883223  0.449874  1
  C  C217  1  0.076630  0.462341  0.577332  1
  C  C218  1  0.100629  0.178960  0.551612  1
  C  C219  1  0.124604  0.895257  0.525947  1
  C  C220  1  0.441677  0.362647  0.546605  1
  C  C221  1  0.465587  0.078940  0.520940  1
  C  C222  1  0.417476  0.645904  0.572193  1
  C  C223  1  0.618148  0.550219  0.531879  1
  C  C224  1  0.642163  0.266929  0.506207  1
  C  C225  1  0.594171  0.833921  0.557354  1
  C  C226  1  0.983214  0.450514  0.501145  1
  C  C227  1  0.935178  0.017575  0.552356  1
  C  C228  1  0.958918  0.733840  0.526763  1
  C  C229  1  0.005215  0.312862  0.654268  1
  C  C230  1  0.028451  0.029486  0.628444  1
  C  C231  1  0.052829  0.746023  0.602789  1
  C  C232  1  0.369828  0.213277  0.623461  1
  C  C233  1  0.393691  0.929676  0.597792  1
  C  C234  1  0.345457  0.496381  0.649203  1
  C  C235  1  0.546812  0.401019  0.608964  1
  C  C236  1  0.569939  0.117439  0.583013  1
  C  C237  1  0.522004  0.684874  0.634169  1
  C  C238  1  0.911292  0.301200  0.578047  1
  C  C239  1  0.862962  0.868181  0.629142  1
  C  C240  1  0.886815  0.584481  0.603768  1
  C  C241  1  0.924918  0.160145  0.730467  1
  C  C242  1  0.955838  0.881974  0.705668  1
  C  C243  1  0.981574  0.596591  0.679428  1
  C  C244  1  0.296778  0.064077  0.700000  1
  C  C245  1  0.321291  0.780569  0.674637  1
  C  C246  1  0.276936  0.346008  0.725740  1
  C  C247  1  0.475951  0.251354  0.685849  1
  C  C248  1  0.497983  0.968144  0.660128  1
  C  C249  1  0.448462  0.537191  0.711162  1
  C  C250  1  0.839106  0.151591  0.654692  1
  C  C251  1  0.793309  0.719950  0.706031  1
  C  C252  1  0.814413  0.435281  0.681172  1
