# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79137461
_cell_length_b   26.66812818
_cell_length_c   46.04607993
_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   'Fe240 C96'
_cell_volume   5883.62959551
_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  0.426348  0.880223  0.317172  1
  Fe  Fe2  1  0.432670  0.332203  0.276894  1
  Fe  Fe3  1  0.920427  0.739559  0.326380  1
  Fe  Fe4  1  0.904924  0.184334  0.286302  1
  Fe  Fe5  1  0.602801  0.743907  0.286205  1
  Fe  Fe6  1  0.606709  0.295813  0.324713  1
  Fe  Fe7  1  0.101837  0.770841  0.279383  1
  Fe  Fe8  1  0.111981  0.323399  0.319055  1
  Fe  Fe9  1  0.886808  0.823559  0.319000  1
  Fe  Fe10  1  0.896517  0.270628  0.279559  1
  Fe  Fe11  1  0.392275  0.796012  0.324684  1
  Fe  Fe12  1  0.395891  0.243903  0.286353  1
  Fe  Fe13  1  0.566408  0.832004  0.276908  1
  Fe  Fe14  1  0.572927  0.380175  0.317227  1
  Fe  Fe15  1  0.095493  0.684665  0.285957  1
  Fe  Fe16  1  0.077675  0.239470  0.326538  1
  Fe  Fe17  1  0.975829  0.895348  0.292476  1
  Fe  Fe18  1  0.969214  0.448697  0.332190  1
  Fe  Fe19  1  0.028351  0.949095  0.332112  1
  Fe  Fe20  1  0.023456  0.395206  0.292536  1
  Fe  Fe21  1  0.927637  0.602825  0.297214  1
  Fe  Fe22  1  0.927418  0.158572  0.336434  1
  Fe  Fe23  1  0.402764  0.463088  0.305977  1
  Fe  Fe24  1  0.428139  0.016815  0.346568  1
  Fe  Fe25  1  0.107410  0.573899  0.344359  1
  Fe  Fe26  1  0.113918  0.019079  0.306260  1
  Fe  Fe27  1  0.607794  0.600777  0.338048  1
  Fe  Fe28  1  0.620589  0.047512  0.298623  1
  Fe  Fe29  1  0.383593  0.546632  0.300354  1
  Fe  Fe30  1  0.391913  0.100660  0.338320  1
  Fe  Fe31  1  0.889915  0.519137  0.305881  1
  Fe  Fe32  1  0.893933  0.073834  0.344643  1
  Fe  Fe33  1  0.072987  0.658385  0.336134  1
  Fe  Fe34  1  0.075141  0.103088  0.297728  1
  Fe  Fe35  1  0.570517  0.516538  0.346746  1
  Fe  Fe36  1  0.598189  0.963169  0.305636  1
  Fe  Fe37  1  0.462490  0.616278  0.273389  1
  Fe  Fe38  1  0.474104  0.171371  0.312231  1
  Fe  Fe39  1  0.526897  0.672093  0.312635  1
  Fe  Fe40  1  0.530461  0.225747  0.350643  1
  Fe  Fe41  1  0.423239  0.988586  0.393953  1
  Fe  Fe42  1  0.428126  0.434953  0.354632  1
  Fe  Fe43  1  0.924526  0.847690  0.403518  1
  Fe  Fe44  1  0.924006  0.293571  0.364968  1
  Fe  Fe45  1  0.608806  0.850576  0.363306  1
  Fe  Fe46  1  0.608356  0.404514  0.401836  1
  Fe  Fe47  1  0.108413  0.877535  0.357228  1
  Fe  Fe48  1  0.111596  0.431678  0.395466  1
  Fe  Fe49  1  0.888279  0.931622  0.395381  1
  Fe  Fe50  1  0.890725  0.377411  0.357300  1
  Fe  Fe51  1  0.391363  0.904500  0.401738  1
  Fe  Fe52  1  0.390448  0.350443  0.363392  1
  Fe  Fe53  1  0.571032  0.935345  0.354416  1
  Fe  Fe54  1  0.576734  0.488794  0.393914  1
  Fe  Fe55  1  0.075143  0.793550  0.364944  1
  Fe  Fe56  1  0.075003  0.347702  0.403609  1
  Fe  Fe57  1  0.975293  0.002820  0.370010  1
  Fe  Fe58  1  0.974084  0.556838  0.408309  1
  Fe  Fe59  1  0.025675  0.056773  0.408430  1
  Fe  Fe60  1  0.023631  0.502720  0.370119  1
  Fe  Fe61  1  0.923186  0.711795  0.374717  1
  Fe  Fe62  1  0.925852  0.266258  0.413130  1
  Fe  Fe63  1  0.423547  0.570983  0.384557  1
  Fe  Fe64  1  0.426817  0.125017  0.423214  1
  Fe  Fe65  1  0.108447  0.682073  0.421186  1
  Fe  Fe66  1  0.110948  0.127884  0.382947  1
  Fe  Fe67  1  0.607674  0.709087  0.414809  1
  Fe  Fe68  1  0.610918  0.154928  0.376730  1
  Fe  Fe69  1  0.389095  0.654879  0.376486  1
  Fe  Fe70  1  0.393036  0.209122  0.414925  1
  Fe  Fe71  1  0.889994  0.627901  0.382807  1
  Fe  Fe72  1  0.892116  0.182166  0.421301  1
  Fe  Fe73  1  0.074778  0.766097  0.413056  1
  Fe  Fe74  1  0.077499  0.211665  0.374875  1
  Fe  Fe75  1  0.574314  0.625050  0.422975  1
  Fe  Fe76  1  0.578165  0.071022  0.384623  1
  Fe  Fe77  1  0.470439  0.725653  0.350544  1
  Fe  Fe78  1  0.473025  0.279726  0.389181  1
  Fe  Fe79  1  0.526895  0.779739  0.389107  1
  Fe  Fe80  1  0.528001  0.334027  0.427518  1
  Fe  Fe81  1  0.423859  0.097034  0.470502  1
  Fe  Fe82  1  0.424555  0.542922  0.432075  1
  Fe  Fe83  1  0.923980  0.956132  0.480270  1
  Fe  Fe84  1  0.923671  0.402051  0.441843  1
  Fe  Fe85  1  0.608793  0.958747  0.440171  1
  Fe  Fe86  1  0.609619  0.513189  0.478601  1
  Fe  Fe87  1  0.107894  0.985892  0.433888  1
  Fe  Fe88  1  0.109570  0.540258  0.472164  1
  Fe  Fe89  1  0.889884  0.040109  0.472143  1
  Fe  Fe90  1  0.892249  0.486057  0.433917  1
  Fe  Fe91  1  0.390291  0.013020  0.478568  1
  Fe  Fe92  1  0.391053  0.458803  0.440184  1
  Fe  Fe93  1  0.574733  0.042886  0.431952  1
  Fe  Fe94  1  0.575876  0.597172  0.470518  1
  Fe  Fe95  1  0.075831  0.901932  0.441808  1
  Fe  Fe96  1  0.075829  0.456256  0.480312  1
  Fe  Fe97  1  0.975743  0.111141  0.446781  1
  Fe  Fe98  1  0.974340  0.665284  0.485054  1
  Fe  Fe99  1  0.025068  0.165244  0.485061  1
  Fe  Fe100  1  0.025194  0.611156  0.446724  1
  Fe  Fe101  1  0.923690  0.820092  0.451518  1
  Fe  Fe102  1  0.925051  0.374546  0.489847  1
  Fe  Fe103  1  0.423756  0.679277  0.461274  1
  Fe  Fe104  1  0.425467  0.233531  0.499817  1
  Fe  Fe105  1  0.109072  0.790424  0.497940  1
  Fe  Fe106  1  0.110190  0.236239  0.459673  1
  Fe  Fe107  1  0.608531  0.817485  0.491552  1
  Fe  Fe108  1  0.610651  0.263307  0.453272  1
  Fe  Fe109  1  0.389970  0.763235  0.453170  1
  Fe  Fe110  1  0.391951  0.317600  0.491628  1
  Fe  Fe111  1  0.890381  0.736172  0.459582  1
  Fe  Fe112  1  0.891540  0.290544  0.497980  1
  Fe  Fe113  1  0.075358  0.874374  0.489834  1
  Fe  Fe114  1  0.076726  0.320116  0.451609  1
  Fe  Fe115  1  0.575138  0.733476  0.499696  1
  Fe  Fe116  1  0.576731  0.179355  0.461376  1
  Fe  Fe117  1  0.472130  0.833929  0.427436  1
  Fe  Fe118  1  0.473579  0.388245  0.465921  1
  Fe  Fe119  1  0.526710  0.888145  0.465878  1
  Fe  Fe120  1  0.527430  0.442511  0.504283  1
  Fe  Fe121  1  0.423398  0.205489  0.547148  1
  Fe  Fe122  1  0.424991  0.651368  0.508829  1
  Fe  Fe123  1  0.923403  0.064728  0.556916  1
  Fe  Fe124  1  0.924772  0.510469  0.518690  1
  Fe  Fe125  1  0.608178  0.067244  0.516896  1
  Fe  Fe126  1  0.610159  0.621609  0.555354  1
  Fe  Fe127  1  0.108590  0.094300  0.510545  1
  Fe  Fe128  1  0.109748  0.648671  0.548943  1
  Fe  Fe129  1  0.889939  0.148605  0.548851  1
  Fe  Fe130  1  0.891057  0.594420  0.510585  1
  Fe  Fe131  1  0.389478  0.121537  0.555253  1
  Fe  Fe132  1  0.391598  0.567359  0.516972  1
  Fe  Fe133  1  0.574662  0.151313  0.508708  1
  Fe  Fe134  1  0.576373  0.705566  0.547250  1
  Fe  Fe135  1  0.075078  0.010297  0.518677  1
  Fe  Fe136  1  0.076440  0.564752  0.557007  1
  Fe  Fe137  1  0.975061  0.219600  0.523464  1
  Fe  Fe138  1  0.974936  0.773688  0.561801  1
  Fe  Fe139  1  0.024386  0.273703  0.561743  1
  Fe  Fe140  1  0.025790  0.719560  0.523471  1
  Fe  Fe141  1  0.924301  0.928587  0.528213  1
  Fe  Fe142  1  0.924299  0.482912  0.566717  1
  Fe  Fe143  1  0.424253  0.787672  0.538007  1
  Fe  Fe144  1  0.425396  0.341958  0.576573  1
  Fe  Fe145  1  0.107880  0.898787  0.574607  1
  Fe  Fe146  1  0.110245  0.344734  0.536382  1
  Fe  Fe147  1  0.609077  0.926041  0.568340  1
  Fe  Fe148  1  0.609838  0.371824  0.529956  1
  Fe  Fe149  1  0.390510  0.871655  0.529924  1
  Fe  Fe150  1  0.391336  0.426097  0.568353  1
  Fe  Fe151  1  0.890560  0.844585  0.536361  1
  Fe  Fe152  1  0.892235  0.398952  0.574637  1
  Fe  Fe153  1  0.076459  0.982793  0.566682  1
  Fe  Fe154  1  0.076150  0.428712  0.528255  1
  Fe  Fe155  1  0.575574  0.841921  0.576449  1
  Fe  Fe156  1  0.576270  0.287810  0.538023  1
  Fe  Fe157  1  0.472700  0.942333  0.504241  1
  Fe  Fe158  1  0.473419  0.496699  0.542647  1
  Fe  Fe159  1  0.526551  -0.003401  0.542603  1
  Fe  Fe160  1  0.527999  0.550915  0.581089  1
  Fe  Fe161  1  0.421964  0.313822  0.623901  1
  Fe  Fe162  1  0.425815  0.759793  0.585550  1
  Fe  Fe163  1  0.922630  0.173179  0.633650  1
  Fe  Fe164  1  0.925352  0.618747  0.595469  1
  Fe  Fe165  1  0.607093  0.175722  0.593599  1
  Fe  Fe166  1  0.611035  0.729965  0.632039  1
  Fe  Fe167  1  0.108013  0.202678  0.587224  1
  Fe  Fe168  1  0.110136  0.756943  0.625717  1
  Fe  Fe169  1  0.889181  0.256960  0.625577  1
  Fe  Fe170  1  0.891682  0.702771  0.587339  1
  Fe  Fe171  1  0.389212  0.229916  0.631794  1
  Fe  Fe172  1  0.392455  0.675757  0.593716  1
  Fe  Fe173  1  0.573312  0.259827  0.585311  1
  Fe  Fe174  1  0.576582  0.813861  0.623968  1
  Fe  Fe175  1  0.074277  0.118586  0.595394  1
  Fe  Fe176  1  0.076943  0.673049  0.633807  1
  Fe  Fe177  1  0.974455  0.328071  0.600095  1
  Fe  Fe178  1  0.976498  0.882123  0.638406  1
  Fe  Fe179  1  0.024836  0.382024  0.638514  1
  Fe  Fe180  1  0.026045  0.828006  0.600216  1
  Fe  Fe181  1  0.925126  0.037142  0.604915  1
  Fe  Fe182  1  0.924986  0.591294  0.643580  1
  Fe  Fe183  1  0.423396  0.896050  0.614611  1
  Fe  Fe184  1  0.429097  0.449499  0.654109  1
  Fe  Fe185  1  0.109404  0.007433  0.651225  1
  Fe  Fe186  1  0.111850  0.453222  0.613144  1
  Fe  Fe187  1  0.609681  0.034401  0.645132  1
  Fe  Fe188  1  0.608766  0.480344  0.606787  1
  Fe  Fe189  1  0.391773  0.980330  0.606689  1
  Fe  Fe190  1  0.391323  0.534268  0.645218  1
  Fe  Fe191  1  0.888534  0.953166  0.613059  1
  Fe  Fe192  1  0.891716  0.507309  0.651297  1
  Fe  Fe193  1  0.076124  0.091273  0.643557  1
  Fe  Fe194  1  0.075604  0.537153  0.605006  1
  Fe  Fe195  1  0.572004  0.949891  0.653893  1
  Fe  Fe196  1  0.576891  0.396258  0.614572  1
  Fe  Fe197  1  0.472128  0.050817  0.581006  1
  Fe  Fe198  1  0.473234  0.605105  0.619418  1
  Fe  Fe199  1  0.527104  0.105118  0.619343  1
  Fe  Fe200  1  0.529690  0.659191  0.657981  1
  Fe  Fe201  1  0.401940  0.421675  0.702888  1
  Fe  Fe202  1  0.429613  0.868306  0.661779  1
  Fe  Fe203  1  0.924989  0.281756  0.710796  1
  Fe  Fe204  1  0.927143  0.726459  0.672390  1
  Fe  Fe205  1  0.608217  0.284184  0.670204  1
  Fe  Fe206  1  0.616537  0.838212  0.708171  1
  Fe  Fe207  1  0.106196  0.311009  0.663882  1
  Fe  Fe208  1  0.110214  0.865707  0.702644  1
  Fe  Fe209  1  0.886211  0.365765  0.702265  1
  Fe  Fe210  1  0.892719  0.810944  0.664166  1
  Fe  Fe211  1  0.379540  0.337332  0.709902  1
  Fe  Fe212  1  0.392336  0.784067  0.670477  1
  Fe  Fe213  1  0.571990  0.368029  0.661957  1
  Fe  Fe214  1  0.597365  0.921755  0.702547  1
  Fe  Fe215  1  0.072711  0.226272  0.672091  1
  Fe  Fe216  1  0.072493  0.782019  0.711311  1
  Fe  Fe217  1  0.971778  0.435749  0.676413  1
  Fe  Fe218  1  0.976673  0.989638  0.715989  1
  Fe  Fe219  1  0.024300  0.489496  0.716048  1
  Fe  Fe220  1  0.030916  0.936147  0.676335  1
  Fe  Fe221  1  0.922455  0.145374  0.681986  1
  Fe  Fe222  1  0.904637  0.700179  0.722568  1
  Fe  Fe223  1  0.427203  0.004669  0.691298  1
  Fe  Fe224  1  0.433721  0.552840  0.731617  1
  Fe  Fe225  1  0.103612  0.114215  0.728966  1
  Fe  Fe226  1  0.113322  0.561284  0.689525  1
  Fe  Fe227  1  0.604238  0.140941  0.722172  1
  Fe  Fe228  1  0.607855  0.588832  0.683841  1
  Fe  Fe229  1  0.393420  0.089030  0.683812  1
  Fe  Fe230  1  0.397328  0.640936  0.722320  1
  Fe  Fe231  1  0.888148  0.061445  0.689470  1
  Fe  Fe232  1  0.898292  0.614003  0.729142  1
  Fe  Fe233  1  0.095205  0.200510  0.722222  1
  Fe  Fe234  1  0.079702  0.645285  0.682145  1
  Fe  Fe235  1  0.567459  0.052641  0.731631  1
  Fe  Fe236  1  0.573782  0.504620  0.691353  1
  Fe  Fe237  1  0.469668  0.159097  0.657881  1
  Fe  Fe238  1  0.473232  0.712750  0.695890  1
  Fe  Fe239  1  0.526026  0.213473  0.696293  1
  Fe  Fe240  1  0.537639  0.768566  0.735136  1
  C  C241  1  0.703818  0.784340  0.350097  1
  C  C242  1  0.708063  0.229988  0.311298  1
  C  C243  1  0.201462  0.835808  0.294113  1
  C  C244  1  0.202106  0.389965  0.332024  1
  C  C245  1  0.797112  0.890154  0.331950  1
  C  C246  1  0.797449  0.335710  0.294161  1
  C  C247  1  0.290198  0.730304  0.311148  1
  C  C248  1  0.295399  0.284217  0.350171  1
  C  C249  1  0.201310  0.507523  0.331317  1
  C  C250  1  0.217872  0.952792  0.293929  1
  C  C251  1  0.696882  0.557844  0.275132  1
  C  C252  1  0.708228  0.112854  0.313637  1
  C  C253  1  0.294099  0.613344  0.313073  1
  C  C254  1  0.290272  0.055951  0.275462  1
  C  C255  1  0.782405  0.452784  0.293993  1
  C  C256  1  0.796793  0.007991  0.330977  1
  C  C257  1  0.705080  0.892659  0.426829  1
  C  C258  1  0.705187  0.338542  0.388344  1
  C  C259  1  0.204308  0.943590  0.370631  1
  C  C260  1  0.205487  0.497902  0.408760  1
  C  C261  1  0.794558  -0.002199  0.408755  1
  C  C262  1  0.795026  0.443442  0.370759  1
  C  C263  1  0.294412  0.838514  0.388279  1
  C  C264  1  0.294494  0.392686  0.426908  1
  C  C265  1  0.203995  0.615954  0.407845  1
  C  C266  1  0.207108  0.061705  0.369755  1
  C  C267  1  0.703007  0.666875  0.351451  1
  C  C268  1  0.706951  0.221127  0.389883  1
  C  C269  1  0.293741  0.721040  0.389762  1
  C  C270  1  0.298244  0.166941  0.351533  1
  C  C271  1  0.793800  0.561838  0.369428  1
  C  C272  1  0.796831  0.116021  0.407984  1
  C  C273  1  0.704762  0.001172  0.503554  1
  C  C274  1  0.705428  0.447112  0.465211  1
  C  C275  1  0.204946  0.051936  0.447233  1
  C  C276  1  0.205415  0.606313  0.485589  1
  C  C277  1  0.794459  0.106212  0.485522  1
  C  C278  1  0.794754  0.552106  0.447221  1
  C  C279  1  0.294372  0.946949  0.465176  1
  C  C280  1  0.295103  0.501316  0.503577  1
  C  C281  1  0.204826  0.724330  0.484576  1
  C  C282  1  0.206354  0.170171  0.446296  1
  C  C283  1  0.704438  0.775124  0.428190  1
  C  C284  1  0.706011  0.329451  0.466583  1
  C  C285  1  0.294353  0.829342  0.466524  1
  C  C286  1  0.296170  0.275165  0.428290  1
  C  C287  1  0.794118  0.670126  0.446177  1
  C  C288  1  0.795672  0.224427  0.484661  1
  C  C289  1  0.703959  0.109679  0.580234  1
  C  C290  1  0.705776  0.555502  0.542001  1
  C  C291  1  0.204458  0.160417  0.523863  1
  C  C292  1  0.206012  0.714718  0.562348  1
  C  C293  1  0.793775  0.214672  0.562229  1
  C  C294  1  0.795304  0.660514  0.523949  1
  C  C295  1  0.294118  0.055393  0.541942  1
  C  C296  1  0.295691  0.609719  0.580334  1
  C  C297  1  0.205375  0.832738  0.561304  1
  C  C298  1  0.205670  0.278632  0.523003  1
  C  C299  1  0.705026  0.883527  0.504948  1
  C  C300  1  0.705758  0.437894  0.543349  1
  C  C301  1  0.294702  0.937732  0.543313  1
  C  C302  1  0.295367  0.383671  0.504970  1
  C  C303  1  0.794715  0.778531  0.522935  1
  C  C304  1  0.795183  0.332908  0.561292  1
  C  C305  1  0.701886  0.217903  0.656992  1
  C  C306  1  0.706389  0.663804  0.618763  1
  C  C307  1  0.203298  0.268823  0.600540  1
  C  C308  1  0.206329  0.823006  0.639097  1
  C  C309  1  0.793022  0.323139  0.638769  1
  C  C310  1  0.796135  0.768889  0.600679  1
  C  C311  1  0.293179  0.163717  0.618642  1
  C  C312  1  0.297122  0.717969  0.657074  1
  C  C313  1  0.205103  0.941402  0.637765  1
  C  C314  1  0.205571  0.387043  0.599770  1
  C  C315  1  0.705635  0.992158  0.581617  1
  C  C316  1  0.705717  0.546329  0.620245  1
  C  C317  1  0.294942  0.046302  0.620180  1
  C  C318  1  0.295049  0.492185  0.581695  1
  C  C319  1  0.794643  0.886942  0.599765  1
  C  C320  1  0.795821  0.441254  0.637893  1
  C  C321  1  0.709858  0.328893  0.733063  1
  C  C322  1  0.706030  0.771500  0.695452  1
  C  C323  1  0.203337  0.376853  0.677548  1
  C  C324  1  0.217725  0.932060  0.714532  1
  C  C325  1  0.782257  0.432052  0.714595  1
  C  C326  1  0.798819  0.877321  0.677208  1
  C  C327  1  0.291902  0.271990  0.694888  1
  C  C328  1  0.303247  0.827000  0.733393  1
  C  C329  1  0.202680  0.049134  0.714364  1
  C  C330  1  0.203017  0.494690  0.676574  1
  C  C331  1  0.704730  0.100627  0.658353  1
  C  C332  1  0.709932  0.654539  0.697377  1
  C  C333  1  0.292066  0.154856  0.697227  1
  C  C334  1  0.296311  0.600504  0.658427  1
  C  C335  1  0.798023  0.994879  0.676501  1
  C  C336  1  0.798668  0.549036  0.714412  1
