# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.50363584
_cell_length_b   8.86431435
_cell_length_c   47.74321329
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.91791762
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe240 C96'
_cell_volume   5770.92520118
_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  0.745612  0.685996  0.276902  1
  Fe  Fe2  1  0.418894  0.543127  0.297595  1
  Fe  Fe3  1  0.091603  0.400683  0.317103  1
  Fe  Fe4  1  0.475661  0.065485  0.310455  1
  Fe  Fe5  1  0.128230  0.349607  0.270819  1
  Fe  Fe6  1  0.801422  0.206711  0.289736  1
  Fe  Fe7  1  0.526242  0.968231  0.270643  1
  Fe  Fe8  1  0.195366  0.825280  0.289668  1
  Fe  Fe9  1  0.869785  0.684884  0.310665  1
  Fe  Fe10  1  0.690618  0.932083  0.274971  1
  Fe  Fe11  1  0.364065  0.802975  0.293602  1
  Fe  Fe12  1  0.036593  0.660142  0.314086  1
  Fe  Fe13  1  0.531425  0.805907  0.313945  1
  Fe  Fe14  1  0.183577  0.086441  0.274569  1
  Fe  Fe15  1  0.857689  0.945614  0.294068  1
  Fe  Fe16  1  0.568603  0.647870  0.275288  1
  Fe  Fe17  1  0.253520  0.539601  0.298544  1
  Fe  Fe18  1  0.924886  0.394437  0.318215  1
  Fe  Fe19  1  0.691185  0.396719  0.291297  1
  Fe  Fe20  1  0.365506  0.254230  0.311076  1
  Fe  Fe21  1  0.023662  0.543990  0.271239  1
  Fe  Fe22  1  0.642672  0.073008  0.310257  1
  Fe  Fe23  1  0.295483  0.355968  0.270191  1
  Fe  Fe24  1  0.969300  0.212824  0.289898  1
  Fe  Fe25  1  0.696918  0.784491  0.317162  1
  Fe  Fe26  1  0.351418  0.068723  0.277280  1
  Fe  Fe27  1  0.023059  0.926241  0.296707  1
  Fe  Fe28  1  0.528837  0.351329  0.297225  1
  Fe  Fe29  1  0.202486  0.210245  0.316929  1
  Fe  Fe30  1  0.855333  0.499158  0.277593  1
  Fe  Fe31  1  0.764841  0.259774  0.336495  1
  Fe  Fe32  1  0.438043  0.118147  0.356104  1
  Fe  Fe33  1  0.111040  0.975569  0.375813  1
  Fe  Fe34  1  0.494660  0.640796  0.369289  1
  Fe  Fe35  1  0.148750  0.922943  0.329710  1
  Fe  Fe36  1  0.822206  0.783029  0.349542  1
  Fe  Fe37  1  0.544280  0.543366  0.329876  1
  Fe  Fe38  1  0.216115  0.400651  0.349711  1
  Fe  Fe39  1  0.889355  0.259410  0.369348  1
  Fe  Fe40  1  0.710817  0.523590  0.332797  1
  Fe  Fe41  1  0.383926  0.379286  0.352773  1
  Fe  Fe42  1  0.056989  0.236661  0.372446  1
  Fe  Fe43  1  0.549068  0.380078  0.372582  1
  Fe  Fe44  1  0.203474  0.664122  0.333385  1
  Fe  Fe45  1  0.875782  0.521103  0.352976  1
  Fe  Fe46  1  0.599486  0.254528  0.337409  1
  Fe  Fe47  1  0.271983  0.110603  0.356847  1
  Fe  Fe48  1  0.944794  0.969087  0.376576  1
  Fe  Fe49  1  0.713187  0.974919  0.349391  1
  Fe  Fe50  1  0.385500  0.831012  0.369163  1
  Fe  Fe51  1  0.039592  0.113774  0.330227  1
  Fe  Fe52  1  0.660733  0.647281  0.368695  1
  Fe  Fe53  1  0.315458  0.931659  0.329628  1
  Fe  Fe54  1  0.988082  0.789228  0.348979  1
  Fe  Fe55  1  0.716148  0.358053  0.375696  1
  Fe  Fe56  1  0.370654  0.639883  0.336781  1
  Fe  Fe57  1  0.043400  0.498955  0.356254  1
  Fe  Fe58  1  0.547199  0.929787  0.356090  1
  Fe  Fe59  1  0.220603  0.786486  0.375702  1
  Fe  Fe60  1  0.874568  0.069723  0.336450  1
  Fe  Fe61  1  0.783800  0.834367  0.395406  1
  Fe  Fe62  1  0.456943  0.692575  0.415006  1
  Fe  Fe63  1  0.129947  0.550515  0.434619  1
  Fe  Fe64  1  0.513694  0.215084  0.427994  1
  Fe  Fe65  1  0.167680  0.498648  0.388834  1
  Fe  Fe66  1  0.840508  0.356872  0.408391  1
  Fe  Fe67  1  0.562561  0.117752  0.388966  1
  Fe  Fe68  1  0.235637  0.975521  0.408461  1
  Fe  Fe69  1  0.908444  0.833713  0.428082  1
  Fe  Fe70  1  0.729887  0.095190  0.392062  1
  Fe  Fe71  1  0.402706  0.953209  0.411715  1
  Fe  Fe72  1  0.075724  0.811320  0.431261  1
  Fe  Fe73  1  0.567815  0.954239  0.431410  1
  Fe  Fe74  1  0.221771  0.237513  0.392172  1
  Fe  Fe75  1  0.894790  0.095831  0.411785  1
  Fe  Fe76  1  0.618153  0.828710  0.396366  1
  Fe  Fe77  1  0.290914  0.685790  0.415728  1
  Fe  Fe78  1  0.963762  0.543656  0.435314  1
  Fe  Fe79  1  0.731331  0.547097  0.408474  1
  Fe  Fe80  1  0.404182  0.404891  0.428121  1
  Fe  Fe81  1  0.058266  0.688511  0.388929  1
  Fe  Fe82  1  0.679774  0.221879  0.427280  1
  Fe  Fe83  1  0.333648  0.505211  0.388116  1
  Fe  Fe84  1  0.006756  0.363544  0.407665  1
  Fe  Fe85  1  0.735232  0.931900  0.434561  1
  Fe  Fe86  1  0.389183  0.215415  0.395328  1
  Fe  Fe87  1  0.062158  0.073503  0.414928  1
  Fe  Fe88  1  0.566406  0.502651  0.414877  1
  Fe  Fe89  1  0.239388  0.360655  0.434470  1
  Fe  Fe90  1  0.893433  0.644475  0.395265  1
  Fe  Fe91  1  0.802893  0.408763  0.454226  1
  Fe  Fe92  1  0.475853  0.266956  0.473840  1
  Fe  Fe93  1  0.148798  0.124955  0.493412  1
  Fe  Fe94  1  0.532574  0.789416  0.486775  1
  Fe  Fe95  1  0.186648  0.073077  0.447570  1
  Fe  Fe96  1  0.859635  0.931243  0.467173  1
  Fe  Fe97  1  0.581376  0.691899  0.447697  1
  Fe  Fe98  1  0.254429  0.549946  0.467263  1
  Fe  Fe99  1  0.927368  0.408050  0.486856  1
  Fe  Fe100  1  0.748708  0.669414  0.450869  1
  Fe  Fe101  1  0.421648  0.527764  0.470426  1
  Fe  Fe102  1  0.094629  0.385862  0.490014  1
  Fe  Fe103  1  0.586725  0.528481  0.490165  1
  Fe  Fe104  1  0.240819  0.812219  0.450970  1
  Fe  Fe105  1  0.913771  0.670303  0.470555  1
  Fe  Fe106  1  0.636750  0.401902  0.454915  1
  Fe  Fe107  1  0.309758  0.260040  0.474504  1
  Fe  Fe108  1  0.982712  0.118148  0.494098  1
  Fe  Fe109  1  0.750103  0.121131  0.467342  1
  Fe  Fe110  1  0.423030  0.979231  0.486953  1
  Fe  Fe111  1  0.077135  0.262889  0.447743  1
  Fe  Fe112  1  0.698661  0.796116  0.486073  1
  Fe  Fe113  1  0.352696  0.080032  0.446903  1
  Fe  Fe114  1  0.025697  0.938037  0.466476  1
  Fe  Fe115  1  0.754005  0.506239  0.493316  1
  Fe  Fe116  1  0.408124  0.790133  0.454133  1
  Fe  Fe117  1  0.081065  0.648095  0.473714  1
  Fe  Fe118  1  0.585350  0.076978  0.473671  1
  Fe  Fe119  1  0.258284  0.935091  0.493260  1
  Fe  Fe120  1  0.912367  0.218775  0.454067  1
  Fe  Fe121  1  0.821736  0.983037  0.512999  1
  Fe  Fe122  1  0.494676  0.841210  0.532601  1
  Fe  Fe123  1  0.167662  0.699376  0.552205  1
  Fe  Fe124  1  0.551418  0.363690  0.545549  1
  Fe  Fe125  1  0.205512  0.647498  0.506363  1
  Fe  Fe126  1  0.878458  0.505497  0.525935  1
  Fe  Fe127  1  0.600306  0.266214  0.506459  1
  Fe  Fe128  1  0.273245  0.124358  0.526061  1
  Fe  Fe129  1  0.946186  0.982320  0.545642  1
  Fe  Fe130  1  0.767585  0.243972  0.509610  1
  Fe  Fe131  1  0.440539  0.102150  0.529220  1
  Fe  Fe132  1  0.113491  0.960234  0.548805  1
  Fe  Fe133  1  0.605602  0.103039  0.548905  1
  Fe  Fe134  1  0.259682  0.386591  0.509761  1
  Fe  Fe135  1  0.932663  0.244689  0.529349  1
  Fe  Fe136  1  0.655650  0.976337  0.513702  1
  Fe  Fe137  1  0.328613  0.834416  0.533299  1
  Fe  Fe138  1  0.001614  0.692421  0.552872  1
  Fe  Fe139  1  0.768961  0.695475  0.526104  1
  Fe  Fe140  1  0.441943  0.553678  0.545708  1
  Fe  Fe141  1  0.096027  0.837362  0.506515  1
  Fe  Fe142  1  0.717560  0.370551  0.544859  1
  Fe  Fe143  1  0.371598  0.654305  0.505677  1
  Fe  Fe144  1  0.044552  0.512413  0.525271  1
  Fe  Fe145  1  0.772935  0.080553  0.552078  1
  Fe  Fe146  1  0.426943  0.364403  0.512919  1
  Fe  Fe147  1  0.099881  0.222507  0.532511  1
  Fe  Fe148  1  0.604207  0.651322  0.532433  1
  Fe  Fe149  1  0.277175  0.509564  0.552032  1
  Fe  Fe150  1  0.931281  0.793222  0.512822  1
  Fe  Fe151  1  0.840616  0.557369  0.571781  1
  Fe  Fe152  1  0.513802  0.415581  0.591384  1
  Fe  Fe153  1  0.186630  0.273805  0.610941  1
  Fe  Fe154  1  0.570511  0.938086  0.604369  1
  Fe  Fe155  1  0.224363  0.221937  0.565156  1
  Fe  Fe156  1  0.897367  0.079878  0.584769  1
  Fe  Fe157  1  0.619079  0.840553  0.565213  1
  Fe  Fe158  1  0.292152  0.698950  0.584847  1
  Fe  Fe159  1  0.965127  0.557038  0.604447  1
  Fe  Fe160  1  0.786495  0.818214  0.568365  1
  Fe  Fe161  1  0.459520  0.676622  0.587990  1
  Fe  Fe162  1  0.132540  0.534940  0.607603  1
  Fe  Fe163  1  0.624423  0.677263  0.607713  1
  Fe  Fe164  1  0.278587  0.961133  0.568514  1
  Fe  Fe165  1  0.951604  0.819244  0.588060  1
  Fe  Fe166  1  0.674537  0.550574  0.572495  1
  Fe  Fe167  1  0.347555  0.408909  0.592110  1
  Fe  Fe168  1  0.020662  0.267242  0.611659  1
  Fe  Fe169  1  0.787905  0.269802  0.584898  1
  Fe  Fe170  1  0.460878  0.127978  0.604510  1
  Fe  Fe171  1  0.114922  0.411798  0.565305  1
  Fe  Fe172  1  0.736157  0.943742  0.603409  1
  Fe  Fe173  1  0.390548  0.228797  0.564461  1
  Fe  Fe174  1  0.063396  0.086663  0.584047  1
  Fe  Fe175  1  0.791749  0.654701  0.610809  1
  Fe  Fe176  1  0.445867  0.938740  0.571693  1
  Fe  Fe177  1  0.118673  0.796932  0.591314  1
  Fe  Fe178  1  0.622979  0.225356  0.591301  1
  Fe  Fe179  1  0.296044  0.083942  0.610846  1
  Fe  Fe180  1  0.950128  0.367562  0.571654  1
  Fe  Fe181  1  0.859650  0.131657  0.630486  1
  Fe  Fe182  1  0.532105  0.989424  0.650233  1
  Fe  Fe183  1  0.205560  0.849510  0.670065  1
  Fe  Fe184  1  0.589470  0.512679  0.663280  1
  Fe  Fe185  1  0.243270  0.796884  0.623962  1
  Fe  Fe186  1  0.916267  0.654306  0.643671  1
  Fe  Fe187  1  0.638162  0.414400  0.624079  1
  Fe  Fe188  1  0.310910  0.273498  0.643520  1
  Fe  Fe189  1  0.983656  0.132570  0.662994  1
  Fe  Fe190  1  0.805242  0.392375  0.627193  1
  Fe  Fe191  1  0.478529  0.251350  0.646799  1
  Fe  Fe192  1  0.150836  0.108330  0.666390  1
  Fe  Fe193  1  0.643494  0.248863  0.666978  1
  Fe  Fe194  1  0.297321  0.535792  0.627329  1
  Fe  Fe195  1  0.970384  0.393167  0.647002  1
  Fe  Fe196  1  0.693577  0.125172  0.631079  1
  Fe  Fe197  1  0.366228  0.983225  0.650796  1
  Fe  Fe198  1  0.038852  0.840794  0.670147  1
  Fe  Fe199  1  0.807111  0.842666  0.643685  1
  Fe  Fe200  1  0.479743  0.702730  0.663325  1
  Fe  Fe201  1  0.133707  0.985967  0.624073  1
  Fe  Fe202  1  0.754824  0.517925  0.662366  1
  Fe  Fe203  1  0.409516  0.803366  0.623199  1
  Fe  Fe204  1  0.082327  0.661850  0.642927  1
  Fe  Fe205  1  0.810031  0.229087  0.669899  1
  Fe  Fe206  1  0.464956  0.513043  0.630427  1
  Fe  Fe207  1  0.138196  0.371802  0.650064  1
  Fe  Fe208  1  0.641123  0.797534  0.650384  1
  Fe  Fe209  1  0.314719  0.658679  0.669548  1
  Fe  Fe210  1  0.968811  0.941440  0.630612  1
  Fe  Fe211  1  0.878650  0.706968  0.689320  1
  Fe  Fe212  1  0.552888  0.565742  0.710039  1
  Fe  Fe213  1  0.226080  0.422846  0.728956  1
  Fe  Fe214  1  0.608698  0.086457  0.722873  1
  Fe  Fe215  1  0.262707  0.371770  0.682672  1
  Fe  Fe216  1  0.935416  0.229326  0.702180  1
  Fe  Fe217  1  0.657392  0.987962  0.682613  1
  Fe  Fe218  1  0.331251  0.846212  0.703068  1
  Fe  Fe219  1  0.002892  0.703730  0.722495  1
  Fe  Fe220  1  0.822885  0.966546  0.685830  1
  Fe  Fe221  1  0.496621  0.826839  0.705707  1
  Fe  Fe222  1  0.170733  0.686012  0.725206  1
  Fe  Fe223  1  0.663692  0.840370  0.724803  1
  Fe  Fe224  1  0.317717  0.112311  0.685688  1
  Fe  Fe225  1  0.990246  0.969478  0.706173  1
  Fe  Fe226  1  0.711638  0.699445  0.689518  1
  Fe  Fe227  1  0.385011  0.559629  0.709877  1
  Fe  Fe228  1  0.058827  0.416485  0.729584  1
  Fe  Fe229  1  0.825474  0.421124  0.702550  1
  Fe  Fe230  1  0.498978  0.273295  0.722182  1
  Fe  Fe231  1  0.151825  0.562208  0.682846  1
  Fe  Fe232  1  0.785708  0.124583  0.724487  1
  Fe  Fe233  1  0.429424  0.378016  0.681560  1
  Fe  Fe234  1  0.100790  0.232852  0.701231  1
  Fe  Fe235  1  0.828068  0.804222  0.729132  1
  Fe  Fe236  1  0.484526  0.087569  0.689110  1
  Fe  Fe237  1  0.158944  0.947173  0.710107  1
  Fe  Fe238  1  0.663125  0.375734  0.708478  1
  Fe  Fe239  1  0.330649  0.228463  0.728536  1
  Fe  Fe240  1  0.988804  0.518223  0.688699  1
  C  C241  1  0.640770  0.564261  0.301137  1
  C  C242  1  0.312987  0.418751  0.321225  1
  C  C243  1  0.967239  0.702107  0.282398  1
  C  C244  1  0.757550  0.011490  0.311196  1
  C  C245  1  0.410964  0.297164  0.273089  1
  C  C246  1  0.084986  0.154123  0.292189  1
  C  C247  1  0.467260  0.741809  0.277308  1
  C  C248  1  0.137971  0.598924  0.296630  1
  C  C249  1  0.810591  0.456911  0.315656  1
  C  C250  1  0.581844  0.187997  0.286732  1
  C  C251  1  0.254764  0.046593  0.306025  1
  C  C252  1  0.910755  0.337729  0.267882  1
  C  C253  1  0.659723  0.136738  0.360526  1
  C  C254  1  0.332899  0.994277  0.380056  1
  C  C255  1  0.986184  0.276417  0.340899  1
  C  C256  1  0.775469  0.585642  0.370293  1
  C  C257  1  0.429244  0.867201  0.330918  1
  C  C258  1  0.102430  0.726557  0.350746  1
  C  C259  1  0.484687  0.315884  0.335442  1
  C  C260  1  0.157485  0.172873  0.355044  1
  C  C261  1  0.830428  0.031663  0.374635  1
  C  C262  1  0.600805  0.766705  0.345871  1
  C  C263  1  0.273206  0.622852  0.365046  1
  C  C264  1  0.928054  0.907105  0.325829  1
  C  C265  1  0.678511  0.710237  0.419277  1
  C  C266  1  0.351462  0.568337  0.438807  1
  C  C267  1  0.005509  0.851861  0.399647  1
  C  C268  1  0.794244  0.159555  0.429163  1
  C  C269  1  0.448184  0.443053  0.389926  1
  C  C270  1  0.121208  0.301173  0.409557  1
  C  C271  1  0.503362  0.890052  0.394278  1
  C  C272  1  0.176368  0.747910  0.413871  1
  C  C273  1  0.849315  0.606048  0.433446  1
  C  C274  1  0.619201  0.339284  0.404196  1
  C  C275  1  0.292157  0.197281  0.423775  1
  C  C276  1  0.946087  0.480912  0.384605  1
  C  C277  1  0.697338  0.284557  0.478006  1
  C  C278  1  0.370292  0.142695  0.497613  1
  C  C279  1  0.024386  0.426346  0.458400  1
  C  C280  1  0.813167  0.733884  0.487930  1
  C  C281  1  0.467206  0.017822  0.448779  1
  C  C282  1  0.140184  0.875755  0.468337  1
  C  C283  1  0.522277  0.464225  0.453057  1
  C  C284  1  0.195263  0.322303  0.472652  1
  C  C285  1  0.868216  0.180409  0.492246  1
  C  C286  1  0.638131  0.913593  0.462993  1
  C  C287  1  0.311061  0.771703  0.482581  1
  C  C288  1  0.965152  0.055412  0.443378  1
  C  C289  1  0.716179  0.858860  0.536782  1
  C  C290  1  0.389158  0.717041  0.556397  1
  C  C291  1  0.043249  0.000750  0.517194  1
  C  C292  1  0.832033  0.308228  0.546718  1
  C  C293  1  0.486094  0.592044  0.507529  1
  C  C294  1  0.159047  0.450150  0.527123  1
  C  C295  1  0.541143  0.038569  0.511845  1
  C  C296  1  0.214126  0.896698  0.531438  1
  C  C297  1  0.887105  0.754631  0.550996  1
  C  C298  1  0.656972  0.487896  0.521769  1
  C  C299  1  0.329925  0.346107  0.541375  1
  C  C300  1  0.984019  0.629758  0.502162  1
  C  C301  1  0.735109  0.433169  0.595579  1
  C  C302  1  0.408223  0.291541  0.615170  1
  C  C303  1  0.062153  0.575172  0.576000  1
  C  C304  1  0.850948  0.882401  0.605497  1
  C  C305  1  0.504995  0.166405  0.566328  1
  C  C306  1  0.177942  0.024543  0.585903  1
  C  C307  1  0.560066  0.612898  0.570611  1
  C  C308  1  0.233102  0.471280  0.590218  1
  C  C309  1  0.906126  0.329400  0.609849  1
  C  C310  1  0.675799  0.062216  0.580498  1
  C  C311  1  0.348801  0.920592  0.600127  1
  C  C312  1  0.002848  0.204116  0.560968  1
  C  C313  1  0.753505  0.005748  0.653903  1
  C  C314  1  0.426257  0.865348  0.673946  1
  C  C315  1  0.081104  0.149601  0.634729  1
  C  C316  1  0.869623  0.456569  0.664333  1
  C  C317  1  0.523883  0.740790  0.625139  1
  C  C318  1  0.196826  0.599580  0.644730  1
  C  C319  1  0.578841  0.186811  0.629482  1
  C  C320  1  0.251880  0.045896  0.649029  1
  C  C321  1  0.925066  0.905252  0.668857  1
  C  C322  1  0.694587  0.635715  0.639249  1
  C  C323  1  0.368126  0.496036  0.658876  1
  C  C324  1  0.021411  0.778176  0.619719  1
  C  C325  1  0.772466  0.584456  0.713043  1
  C  C326  1  0.443555  0.434724  0.731893  1
  C  C327  1  0.099546  0.725860  0.693750  1
  C  C328  1  0.887050  0.030644  0.722467  1
  C  C329  1  0.543720  0.315542  0.684119  1
  C  C330  1  0.216339  0.173529  0.703145  1
  C  C331  1  0.596760  0.760963  0.688578  1
  C  C332  1  0.269324  0.618330  0.707586  1
  C  C333  1  0.943347  0.475289  0.726686  1
  C  C334  1  0.713541  0.208192  0.698638  1
  C  C335  1  0.387071  0.070346  0.717377  1
  C  C336  1  0.041323  0.353702  0.678550  1
