# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79010624
_cell_length_b   22.05241157
_cell_length_c   47.16026741
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe200 C80'
_cell_volume   4981.6991178
_cell_formula_units_Z   40
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  0.425277  0.683379  0.318674  1
  Fe  Fe2  1  0.426240  0.221058  0.364459  1
  Fe  Fe3  1  0.902666  0.518107  0.300867  1
  Fe  Fe4  1  0.930316  0.051657  0.348273  1
  Fe  Fe5  1  0.607552  0.618834  0.356648  1
  Fe  Fe6  1  0.610970  0.082074  0.310936  1
  Fe  Fe7  1  0.107337  0.653705  0.355683  1
  Fe  Fe8  1  0.117674  0.117418  0.310657  1
  Fe  Fe9  1  0.882719  0.617418  0.310656  1
  Fe  Fe10  1  0.893058  0.153705  0.355683  1
  Fe  Fe11  1  0.389423  0.582074  0.310936  1
  Fe  Fe12  1  0.392843  0.118833  0.356647  1
  Fe  Fe13  1  0.574155  0.721058  0.364459  1
  Fe  Fe14  1  0.575118  0.183379  0.318674  1
  Fe  Fe15  1  0.070077  0.551657  0.348273  1
  Fe  Fe16  1  0.097726  0.018107  0.300867  1
  Fe  Fe17  1  0.968463  0.715695  0.299376  1
  Fe  Fe18  1  0.970486  0.252238  0.344394  1
  Fe  Fe19  1  0.029908  0.752238  0.344394  1
  Fe  Fe20  1  0.031931  0.215695  0.299376  1
  Fe  Fe21  1  0.928189  0.453160  0.340482  1
  Fe  Fe22  1  0.930444  0.915174  0.294889  1
  Fe  Fe23  1  0.423432  0.284051  0.324448  1
  Fe  Fe24  1  0.408743  0.745732  0.278096  1
  Fe  Fe25  1  0.105405  0.314369  0.287737  1
  Fe  Fe26  1  0.110135  0.849890  0.332978  1
  Fe  Fe27  1  0.608940  0.349857  0.287046  1
  Fe  Fe28  1  0.609784  0.885267  0.332294  1
  Fe  Fe29  1  0.390610  0.385267  0.332294  1
  Fe  Fe30  1  0.391454  0.849858  0.287046  1
  Fe  Fe31  1  0.890259  0.349890  0.332978  1
  Fe  Fe32  1  0.894988  0.814369  0.287737  1
  Fe  Fe33  1  0.069950  0.415174  0.294889  1
  Fe  Fe34  1  0.072206  0.953160  0.340482  1
  Fe  Fe35  1  0.591652  0.245732  0.278096  1
  Fe  Fe36  1  0.576961  0.784051  0.324449  1
  Fe  Fe37  1  0.469869  0.483729  0.322301  1
  Fe  Fe38  1  0.452860  0.953734  0.276273  1
  Fe  Fe39  1  0.547534  0.453734  0.276273  1
  Fe  Fe40  1  0.530526  0.983729  0.322300  1
  Fe  Fe41  1  0.423296  0.756324  0.409647  1
  Fe  Fe42  1  0.425089  0.293332  0.454878  1
  Fe  Fe43  1  0.923179  0.588552  0.393225  1
  Fe  Fe44  1  0.925943  0.124943  0.438501  1
  Fe  Fe45  1  0.609249  0.691484  0.447217  1
  Fe  Fe46  1  0.610424  0.154899  0.401849  1
  Fe  Fe47  1  0.107992  0.726699  0.446209  1
  Fe  Fe48  1  0.110677  0.190147  0.401000  1
  Fe  Fe49  1  0.889718  0.690147  0.401000  1
  Fe  Fe50  1  0.892402  0.226700  0.446209  1
  Fe  Fe51  1  0.389970  0.654899  0.401849  1
  Fe  Fe52  1  0.391144  0.191484  0.447217  1
  Fe  Fe53  1  0.575305  0.793332  0.454878  1
  Fe  Fe54  1  0.577098  0.256324  0.409647  1
  Fe  Fe55  1  0.074451  0.624943  0.438501  1
  Fe  Fe56  1  0.077215  0.088552  0.393225  1
  Fe  Fe57  1  0.970802  0.788568  0.389757  1
  Fe  Fe58  1  0.972104  0.324796  0.435065  1
  Fe  Fe59  1  0.028290  0.824797  0.435065  1
  Fe  Fe60  1  0.029592  0.288568  0.389757  1
  Fe  Fe61  1  0.923496  0.524591  0.431703  1
  Fe  Fe62  1  0.924184  0.987932  0.386523  1
  Fe  Fe63  1  0.422908  0.356843  0.415157  1
  Fe  Fe64  1  0.425731  0.820139  0.369837  1
  Fe  Fe65  1  0.107639  0.386485  0.378639  1
  Fe  Fe66  1  0.110683  0.922738  0.423933  1
  Fe  Fe67  1  0.611982  0.421648  0.377601  1
  Fe  Fe68  1  0.608913  0.958297  0.423071  1
  Fe  Fe69  1  0.391481  0.458297  0.423071  1
  Fe  Fe70  1  0.388412  0.921648  0.377601  1
  Fe  Fe71  1  0.889712  0.422738  0.423933  1
  Fe  Fe72  1  0.892755  0.886485  0.378639  1
  Fe  Fe73  1  0.076210  0.487932  0.386523  1
  Fe  Fe74  1  0.076898  0.024591  0.431703  1
  Fe  Fe75  1  0.574662  0.320139  0.369837  1
  Fe  Fe76  1  0.577486  0.856843  0.415157  1
  Fe  Fe77  1  0.475074  0.556492  0.412443  1
  Fe  Fe78  1  0.477857  0.020018  0.367229  1
  Fe  Fe79  1  0.522537  0.520018  0.367229  1
  Fe  Fe80  1  0.525320  0.056492  0.412443  1
  Fe  Fe81  1  0.424592  0.829337  0.500221  1
  Fe  Fe82  1  0.423391  0.366071  0.545516  1
  Fe  Fe83  1  0.924402  0.661244  0.483849  1
  Fe  Fe84  1  0.924406  0.198136  0.528998  1
  Fe  Fe85  1  0.611284  0.764347  0.537837  1
  Fe  Fe86  1  0.609086  0.227838  0.492430  1
  Fe  Fe87  1  0.109330  0.799657  0.536806  1
  Fe  Fe88  1  0.110052  0.263111  0.491473  1
  Fe  Fe89  1  0.890342  0.763111  0.491473  1
  Fe  Fe90  1  0.891064  0.299657  0.536806  1
  Fe  Fe91  1  0.391308  0.727838  0.492430  1
  Fe  Fe92  1  0.389110  0.264347  0.537837  1
  Fe  Fe93  1  0.577003  0.866071  0.545516  1
  Fe  Fe94  1  0.575802  0.329337  0.500221  1
  Fe  Fe95  1  0.075987  0.698136  0.528998  1
  Fe  Fe96  1  0.075992  0.161244  0.483849  1
  Fe  Fe97  1  0.972913  0.861407  0.480403  1
  Fe  Fe98  1  0.970875  0.397609  0.525714  1
  Fe  Fe99  1  0.029519  0.897609  0.525714  1
  Fe  Fe100  1  0.027481  0.361407  0.480403  1
  Fe  Fe101  1  0.921994  0.597435  0.522397  1
  Fe  Fe102  1  0.926620  0.061152  0.477003  1
  Fe  Fe103  1  0.422655  0.429710  0.505899  1
  Fe  Fe104  1  0.425483  0.892904  0.460585  1
  Fe  Fe105  1  0.107524  0.459371  0.469317  1
  Fe  Fe106  1  0.111805  0.995865  0.514631  1
  Fe  Fe107  1  0.608705  0.494629  0.468278  1
  Fe  Fe108  1  0.611487  0.031255  0.513670  1
  Fe  Fe109  1  0.388907  0.531254  0.513670  1
  Fe  Fe110  1  0.391690  0.994629  0.468278  1
  Fe  Fe111  1  0.888590  0.495865  0.514631  1
  Fe  Fe112  1  0.892871  0.959371  0.469317  1
  Fe  Fe113  1  0.073775  0.561152  0.477003  1
  Fe  Fe114  1  0.078401  0.097435  0.522397  1
  Fe  Fe115  1  0.574912  0.392904  0.460585  1
  Fe  Fe116  1  0.577740  0.929710  0.505899  1
  Fe  Fe117  1  0.474832  0.629559  0.503085  1
  Fe  Fe118  1  0.477130  0.092973  0.457758  1
  Fe  Fe119  1  0.523264  0.592973  0.457758  1
  Fe  Fe120  1  0.525562  0.129559  0.503085  1
  Fe  Fe121  1  0.426042  0.902231  0.590887  1
  Fe  Fe122  1  0.421613  0.438941  0.636265  1
  Fe  Fe123  1  0.926079  0.733926  0.574496  1
  Fe  Fe124  1  0.921692  0.271347  0.619449  1
  Fe  Fe125  1  0.612898  0.837228  0.628367  1
  Fe  Fe126  1  0.606402  0.300700  0.583028  1
  Fe  Fe127  1  0.110135  0.872553  0.627573  1
  Fe  Fe128  1  0.108580  0.336088  0.582138  1
  Fe  Fe129  1  0.891814  0.836088  0.582138  1
  Fe  Fe130  1  0.890259  0.372553  0.627573  1
  Fe  Fe131  1  0.393992  0.800700  0.583028  1
  Fe  Fe132  1  0.387496  0.337228  0.628367  1
  Fe  Fe133  1  0.578781  0.938941  0.636265  1
  Fe  Fe134  1  0.574353  0.402231  0.590887  1
  Fe  Fe135  1  0.078702  0.771347  0.619449  1
  Fe  Fe136  1  0.074315  0.233926  0.574496  1
  Fe  Fe137  1  0.974464  0.934213  0.571043  1
  Fe  Fe138  1  0.968724  0.470480  0.616291  1
  Fe  Fe139  1  0.031671  0.970480  0.616291  1
  Fe  Fe140  1  0.025930  0.434213  0.571043  1
  Fe  Fe141  1  0.919924  0.670042  0.613148  1
  Fe  Fe142  1  0.928310  0.134312  0.567538  1
  Fe  Fe143  1  0.421419  0.502630  0.596541  1
  Fe  Fe144  1  0.426797  0.965672  0.551195  1
  Fe  Fe145  1  0.106098  0.532304  0.559923  1
  Fe  Fe146  1  0.113296  0.068852  0.605139  1
  Fe  Fe147  1  0.606771  0.567494  0.558939  1
  Fe  Fe148  1  0.613166  0.104231  0.604278  1
  Fe  Fe149  1  0.387228  0.604231  0.604278  1
  Fe  Fe150  1  0.393624  0.067494  0.558939  1
  Fe  Fe151  1  0.887098  0.568852  0.605140  1
  Fe  Fe152  1  0.894297  0.032304  0.559923  1
  Fe  Fe153  1  0.072085  0.634312  0.567538  1
  Fe  Fe154  1  0.080470  0.170042  0.613148  1
  Fe  Fe155  1  0.573598  0.465672  0.551195  1
  Fe  Fe156  1  0.578975  0.002630  0.596541  1
  Fe  Fe157  1  0.474593  0.702588  0.593745  1
  Fe  Fe158  1  0.476851  0.165831  0.548317  1
  Fe  Fe159  1  0.523544  0.665831  0.548317  1
  Fe  Fe160  1  0.525801  0.202588  0.593745  1
  Fe  Fe161  1  0.426682  0.974761  0.681686  1
  Fe  Fe162  1  0.405815  0.512850  0.728183  1
  Fe  Fe163  1  0.930140  0.804987  0.665455  1
  Fe  Fe164  1  0.925705  0.343877  0.710756  1
  Fe  Fe165  1  0.610596  0.907924  0.719578  1
  Fe  Fe166  1  0.605014  0.374059  0.673284  1
  Fe  Fe167  1  0.110467  0.944477  0.718330  1
  Fe  Fe168  1  0.105640  0.409188  0.673003  1
  Fe  Fe169  1  0.894754  0.909188  0.673003  1
  Fe  Fe170  1  0.889927  0.444477  0.718330  1
  Fe  Fe171  1  0.395380  0.874059  0.673284  1
  Fe  Fe172  1  0.389797  0.407924  0.719578  1
  Fe  Fe173  1  0.594579  0.012850  0.728183  1
  Fe  Fe174  1  0.573711  0.474761  0.681686  1
  Fe  Fe175  1  0.074689  0.843877  0.710756  1
  Fe  Fe176  1  0.070254  0.304988  0.665455  1
  Fe  Fe177  1  0.972315  0.006743  0.661797  1
  Fe  Fe178  1  0.966004  0.542835  0.706747  1
  Fe  Fe179  1  0.034390  0.042835  0.706747  1
  Fe  Fe180  1  0.028079  0.506743  0.661797  1
  Fe  Fe181  1  0.898234  0.741020  0.705515  1
  Fe  Fe182  1  0.934580  0.207267  0.657810  1
  Fe  Fe183  1  0.422670  0.575138  0.687529  1
  Fe  Fe184  1  0.428299  0.038269  0.641564  1
  Fe  Fe185  1  0.104303  0.605253  0.650476  1
  Fe  Fe186  1  0.121682  0.141319  0.695650  1
  Fe  Fe187  1  0.604183  0.640198  0.649649  1
  Fe  Fe188  1  0.615839  0.176507  0.695059  1
  Fe  Fe189  1  0.384555  0.676507  0.695059  1
  Fe  Fe190  1  0.396211  0.140198  0.649649  1
  Fe  Fe191  1  0.878712  0.641319  0.695650  1
  Fe  Fe192  1  0.896091  0.105253  0.650476  1
  Fe  Fe193  1  0.065814  0.707267  0.657810  1
  Fe  Fe194  1  0.102159  0.241020  0.705515  1
  Fe  Fe195  1  0.572095  0.538269  0.641564  1
  Fe  Fe196  1  0.577724  0.075138  0.687529  1
  Fe  Fe197  1  0.470990  0.775550  0.684610  1
  Fe  Fe198  1  0.476028  0.238426  0.638863  1
  Fe  Fe199  1  0.524367  0.738425  0.638863  1
  Fe  Fe200  1  0.529404  0.275550  0.684610  1
  C  C201  1  0.700709  0.551765  0.332385  1
  C  C202  1  0.718560  0.014210  0.287803  1
  C  C203  1  0.197846  0.647234  0.289652  1
  C  C204  1  0.206955  0.184761  0.334866  1
  C  C205  1  0.793439  0.684761  0.334866  1
  C  C206  1  0.802548  0.147234  0.289652  1
  C  C207  1  0.281833  0.514209  0.287803  1
  C  C208  1  0.299685  0.051765  0.332385  1
  C  C209  1  0.204259  0.320004  0.354167  1
  C  C210  1  0.206903  0.782970  0.308741  1
  C  C211  1  0.703102  0.416688  0.311383  1
  C  C212  1  0.705201  0.951608  0.356892  1
  C  C213  1  0.295194  0.451608  0.356892  1
  C  C214  1  0.297292  0.916688  0.311383  1
  C  C215  1  0.793491  0.282970  0.308741  1
  C  C216  1  0.796135  0.820004  0.354167  1
  C  C217  1  0.703871  0.624586  0.422909  1
  C  C218  1  0.707076  0.088149  0.377531  1
  C  C219  1  0.203164  0.720622  0.379929  1
  C  C220  1  0.206281  0.257161  0.425193  1
  C  C221  1  0.794114  0.757161  0.425193  1
  C  C222  1  0.797230  0.220622  0.379929  1
  C  C223  1  0.293318  0.588149  0.377531  1
  C  C224  1  0.296523  0.124586  0.422909  1
  C  C225  1  0.204445  0.392717  0.444954  1
  C  C226  1  0.206679  0.855932  0.399615  1
  C  C227  1  0.704999  0.488593  0.401944  1
  C  C228  1  0.706773  0.024939  0.447403  1
  C  C229  1  0.293621  0.524939  0.447403  1
  C  C230  1  0.295395  0.988593  0.401944  1
  C  C231  1  0.793716  0.355932  0.399615  1
  C  C232  1  0.795950  0.892717  0.444954  1
  C  C233  1  0.705110  0.697468  0.513486  1
  C  C234  1  0.706043  0.161125  0.468104  1
  C  C235  1  0.204920  0.793432  0.470524  1
  C  C236  1  0.204991  0.330013  0.515766  1
  C  C237  1  0.795403  0.830013  0.515766  1
  C  C238  1  0.795474  0.293432  0.470524  1
  C  C239  1  0.294351  0.661125  0.468104  1
  C  C240  1  0.295284  0.197468  0.513486  1
  C  C241  1  0.202975  0.465559  0.535612  1
  C  C242  1  0.207068  0.929018  0.490319  1
  C  C243  1  0.703425  0.561405  0.492655  1
  C  C244  1  0.707924  0.097995  0.538004  1
  C  C245  1  0.292470  0.597995  0.538004  1
  C  C246  1  0.296969  0.061405  0.492655  1
  C  C247  1  0.793327  0.429018  0.490319  1
  C  C248  1  0.797419  0.965559  0.535612  1
  C  C249  1  0.707030  0.770154  0.604150  1
  C  C250  1  0.704716  0.234145  0.558663  1
  C  C251  1  0.206686  0.866256  0.561184  1
  C  C252  1  0.203658  0.402941  0.606461  1
  C  C253  1  0.796736  0.902941  0.606461  1
  C  C254  1  0.793709  0.366256  0.561184  1
  C  C255  1  0.295678  0.734145  0.558663  1
  C  C256  1  0.293364  0.270154  0.604150  1
  C  C257  1  0.200733  0.538434  0.626194  1
  C  C258  1  0.208492  0.001881  0.580905  1
  C  C259  1  0.702072  0.634287  0.583283  1
  C  C260  1  0.709563  0.170931  0.628639  1
  C  C261  1  0.290831  0.670931  0.628639  1
  C  C262  1  0.298322  0.134287  0.583283  1
  C  C263  1  0.791903  0.501881  0.580905  1
  C  C264  1  0.799661  0.038434  0.626194  1
  C  C265  1  0.707467  0.842864  0.694339  1
  C  C266  1  0.702420  0.306915  0.649259  1
  C  C267  1  0.207801  0.939417  0.651782  1
  C  C268  1  0.204333  0.475422  0.697567  1
  C  C269  1  0.796061  0.975422  0.697567  1
  C  C270  1  0.792593  0.439417  0.651782  1
  C  C271  1  0.297974  0.806915  0.649259  1
  C  C272  1  0.292927  0.342864  0.694339  1
  C  C273  1  0.194732  0.611389  0.716482  1
  C  C274  1  0.209580  0.074089  0.671322  1
  C  C275  1  0.697446  0.707182  0.673965  1
  C  C276  1  0.722832  0.244004  0.718458  1
  C  C277  1  0.277562  0.744004  0.718458  1
  C  C278  1  0.302948  0.207182  0.673965  1
  C  C279  1  0.790814  0.574089  0.671323  1
  C  C280  1  0.805661  0.111389  0.716482  1
