# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.23170031
_cell_length_b   10.16932300
_cell_length_c   47.77661241
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.21843530
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe240 C96'
_cell_volume   5882.83415482
_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  0.826396  0.651274  0.331774  1
  Fe  Fe2  1  0.973574  0.945940  0.292666  1
  Fe  Fe3  1  0.326396  0.651274  0.331774  1
  Fe  Fe4  1  0.473574  0.945940  0.292666  1
  Fe  Fe5  1  0.337177  0.637274  0.281723  1
  Fe  Fe6  1  0.192612  0.343950  0.321419  1
  Fe  Fe7  1  0.837177  0.637274  0.281723  1
  Fe  Fe8  1  0.692612  0.343950  0.321419  1
  Fe  Fe9  1  0.106703  0.014049  0.314988  1
  Fe  Fe10  1  0.249898  0.311148  0.275817  1
  Fe  Fe11  1  0.606703  0.014049  0.314988  1
  Fe  Fe12  1  0.749898  0.311148  0.275817  1
  Fe  Fe13  1  0.257347  0.095303  0.303935  1
  Fe  Fe14  1  0.111122  0.802109  0.342280  1
  Fe  Fe15  1  0.757347  0.095303  0.303935  1
  Fe  Fe16  1  0.611122  0.802109  0.342280  1
  Fe  Fe17  1  0.910076  0.193521  0.310368  1
  Fe  Fe18  1  0.057341  0.482420  0.272198  1
  Fe  Fe19  1  0.410076  0.193521  0.310368  1
  Fe  Fe20  1  0.557341  0.482420  0.272198  1
  Fe  Fe21  1  0.699080  0.547141  0.344879  1
  Fe  Fe22  1  0.846441  0.843629  0.307055  1
  Fe  Fe23  1  0.199080  0.547141  0.344879  1
  Fe  Fe24  1  0.346441  0.843629  0.307055  1
  Fe  Fe25  1  0.984680  0.414473  0.337407  1
  Fe  Fe26  1  0.132787  0.707837  0.298263  1
  Fe  Fe27  1  0.484680  0.414473  0.337407  1
  Fe  Fe28  1  0.632787  0.707837  0.298263  1
  Fe  Fe29  1  0.465146  0.744162  0.269271  1
  Fe  Fe30  1  0.319625  0.448095  0.307867  1
  Fe  Fe31  1  0.965146  0.744162  0.269271  1
  Fe  Fe32  1  0.819625  0.448095  0.307867  1
  Fe  Fe33  1  0.055473  0.277487  0.299207  1
  Fe  Fe34  1  0.914777  0.979734  0.338076  1
  Fe  Fe35  1  0.555473  0.277487  0.299207  1
  Fe  Fe36  1  0.414777  0.979734  0.338076  1
  Fe  Fe37  1  0.198064  0.879841  0.276868  1
  Fe  Fe38  1  0.033677  0.582161  0.315811  1
  Fe  Fe39  1  0.698064  0.879841  0.276868  1
  Fe  Fe40  1  0.533677  0.582161  0.315811  1
  Fe  Fe41  1  0.531393  0.059069  0.408451  1
  Fe  Fe42  1  0.678994  0.354032  0.369825  1
  Fe  Fe43  1  0.031393  0.059069  0.408451  1
  Fe  Fe44  1  0.178994  0.354032  0.369825  1
  Fe  Fe45  1  0.046332  0.050747  0.359840  1
  Fe  Fe46  1  0.898893  0.754682  0.398083  1
  Fe  Fe47  1  0.546332  0.050747  0.359840  1
  Fe  Fe48  1  0.398893  0.754682  0.398083  1
  Fe  Fe49  1  0.811949  0.424252  0.391604  1
  Fe  Fe50  1  0.960650  0.720530  0.352892  1
  Fe  Fe51  1  0.311949  0.424252  0.391604  1
  Fe  Fe52  1  0.460650  0.720530  0.352892  1
  Fe  Fe53  1  0.963007  0.507092  0.380909  1
  Fe  Fe54  1  0.815596  0.211198  0.419316  1
  Fe  Fe55  1  0.463007  0.507092  0.380909  1
  Fe  Fe56  1  0.315596  0.211198  0.419316  1
  Fe  Fe57  1  0.614842  0.602483  0.387265  1
  Fe  Fe58  1  0.762561  0.896678  0.348812  1
  Fe  Fe59  1  0.114842  0.602483  0.387265  1
  Fe  Fe60  1  0.262561  0.896678  0.348812  1
  Fe  Fe61  1  0.404213  0.955855  0.421703  1
  Fe  Fe62  1  0.551438  0.251938  0.383375  1
  Fe  Fe63  1  0.904213  0.955855  0.421703  1
  Fe  Fe64  1  0.051438  0.251938  0.383375  1
  Fe  Fe65  1  0.689150  0.823939  0.414079  1
  Fe  Fe66  1  0.836491  0.119504  0.375478  1
  Fe  Fe67  1  0.189150  0.823939  0.414079  1
  Fe  Fe68  1  0.336491  0.119504  0.375478  1
  Fe  Fe69  1  0.173851  0.152572  0.346363  1
  Fe  Fe70  1  0.026200  0.857767  0.384876  1
  Fe  Fe71  1  0.673851  0.152572  0.346363  1
  Fe  Fe72  1  0.526200  0.857767  0.384876  1
  Fe  Fe73  1  0.765802  0.685193  0.376481  1
  Fe  Fe74  1  0.618507  0.389677  0.414951  1
  Fe  Fe75  1  0.265802  0.685193  0.376481  1
  Fe  Fe76  1  0.118507  0.389677  0.414951  1
  Fe  Fe77  1  0.887943  0.285377  0.354094  1
  Fe  Fe78  1  0.741441  0.989599  0.392526  1
  Fe  Fe79  1  0.387943  0.285377  0.354094  1
  Fe  Fe80  1  0.241441  0.989599  0.392526  1
  Fe  Fe81  1  0.236626  0.467687  0.485360  1
  Fe  Fe82  1  0.384109  0.763204  0.446883  1
  Fe  Fe83  1  0.736626  0.467687  0.485360  1
  Fe  Fe84  1  0.884109  0.763204  0.446883  1
  Fe  Fe85  1  0.751427  0.459397  0.436608  1
  Fe  Fe86  1  0.603986  0.163782  0.475051  1
  Fe  Fe87  1  0.251427  0.459397  0.436608  1
  Fe  Fe88  1  0.103986  0.163782  0.475051  1
  Fe  Fe89  1  0.517149  0.832916  0.468538  1
  Fe  Fe90  1  0.664730  0.128483  0.430047  1
  Fe  Fe91  1  0.017149  0.832916  0.468538  1
  Fe  Fe92  1  0.164730  0.128483  0.430047  1
  Fe  Fe93  1  0.668233  0.915741  0.457770  1
  Fe  Fe94  1  0.520795  0.620048  0.496240  1
  Fe  Fe95  1  0.168233  0.915741  0.457770  1
  Fe  Fe96  1  0.020795  0.620048  0.496240  1
  Fe  Fe97  1  0.319860  0.011334  0.464178  1
  Fe  Fe98  1  0.467273  0.306970  0.425721  1
  Fe  Fe99  1  0.819860  0.011334  0.464178  1
  Fe  Fe100  1  0.967273  0.306970  0.425721  1
  Fe  Fe101  1  0.109298  0.364723  0.498650  1
  Fe  Fe102  1  0.256725  0.660399  0.460202  1
  Fe  Fe103  1  0.609298  0.364723  0.498650  1
  Fe  Fe104  1  0.756725  0.660399  0.460202  1
  Fe  Fe105  1  0.394162  0.232899  0.490947  1
  Fe  Fe106  1  0.541601  0.528503  0.452478  1
  Fe  Fe107  1  0.894162  0.232899  0.490947  1
  Fe  Fe108  1  0.041601  0.528503  0.452478  1
  Fe  Fe109  1  0.878809  0.562299  0.423321  1
  Fe  Fe110  1  0.731315  0.266709  0.461776  1
  Fe  Fe111  1  0.378809  0.562299  0.423321  1
  Fe  Fe112  1  0.231315  0.266709  0.461776  1
  Fe  Fe113  1  0.470928  0.094155  0.453415  1
  Fe  Fe114  1  0.323459  0.798570  0.491875  1
  Fe  Fe115  1  0.970928  0.094155  0.453415  1
  Fe  Fe116  1  0.823459  0.798570  0.491875  1
  Fe  Fe117  1  0.593864  0.694177  0.431012  1
  Fe  Fe118  1  0.446484  0.398525  0.469475  1
  Fe  Fe119  1  0.093864  0.694177  0.431012  1
  Fe  Fe120  1  0.946484  0.398525  0.469475  1
  Fe  Fe121  1  0.941750  0.876461  0.562274  1
  Fe  Fe122  1  0.089191  0.172076  0.523831  1
  Fe  Fe123  1  0.441750  0.876461  0.562274  1
  Fe  Fe124  1  0.589191  0.172076  0.523831  1
  Fe  Fe125  1  0.456551  0.868171  0.513522  1
  Fe  Fe126  1  0.309068  0.572654  0.551999  1
  Fe  Fe127  1  0.956551  0.868171  0.513522  1
  Fe  Fe128  1  0.809068  0.572654  0.551999  1
  Fe  Fe129  1  0.222249  0.241703  0.545466  1
  Fe  Fe130  1  0.369717  0.537288  0.507007  1
  Fe  Fe131  1  0.722249  0.241703  0.545466  1
  Fe  Fe132  1  0.869717  0.537288  0.507007  1
  Fe  Fe133  1  0.373317  0.324524  0.534704  1
  Fe  Fe134  1  0.225904  0.028887  0.573161  1
  Fe  Fe135  1  0.873317  0.324524  0.534704  1
  Fe  Fe136  1  0.725904  0.028887  0.573161  1
  Fe  Fe137  1  0.024944  0.420117  0.541112  1
  Fe  Fe138  1  0.172382  0.715810  0.502642  1
  Fe  Fe139  1  0.524944  0.420117  0.541112  1
  Fe  Fe140  1  0.672382  0.715810  0.502642  1
  Fe  Fe141  1  0.814368  0.773559  0.575561  1
  Fe  Fe142  1  0.961861  0.069149  0.537105  1
  Fe  Fe143  1  0.314368  0.773559  0.575561  1
  Fe  Fe144  1  0.461861  0.069149  0.537105  1
  Fe  Fe145  1  0.099313  0.641681  0.567869  1
  Fe  Fe146  1  0.246692  0.937333  0.529407  1
  Fe  Fe147  1  0.599313  0.641681  0.567869  1
  Fe  Fe148  1  0.746692  0.937333  0.529407  1
  Fe  Fe149  1  0.583879  0.971135  0.500232  1
  Fe  Fe150  1  0.436452  0.675459  0.538680  1
  Fe  Fe151  1  0.083879  0.971135  0.500232  1
  Fe  Fe152  1  0.936452  0.675459  0.538680  1
  Fe  Fe153  1  0.176028  0.502941  0.530344  1
  Fe  Fe154  1  0.028447  0.207375  0.568835  1
  Fe  Fe155  1  0.676028  0.502941  0.530344  1
  Fe  Fe156  1  0.528447  0.207375  0.568835  1
  Fe  Fe157  1  0.299014  0.102959  0.507935  1
  Fe  Fe158  1  0.151575  0.807355  0.546404  1
  Fe  Fe159  1  0.799014  0.102959  0.507935  1
  Fe  Fe160  1  0.651575  0.807355  0.546404  1
  Fe  Fe161  1  0.646845  0.285111  0.639041  1
  Fe  Fe162  1  0.794284  0.581176  0.600799  1
  Fe  Fe163  1  0.146845  0.285111  0.639041  1
  Fe  Fe164  1  0.294284  0.581176  0.600799  1
  Fe  Fe165  1  0.161784  0.276789  0.590431  1
  Fe  Fe166  1  0.014183  0.981826  0.629057  1
  Fe  Fe167  1  0.661784  0.276789  0.590431  1
  Fe  Fe168  1  0.514183  0.981826  0.629057  1
  Fe  Fe169  1  0.927375  0.650665  0.622401  1
  Fe  Fe170  1  0.074669  0.946181  0.583931  1
  Fe  Fe171  1  0.427375  0.650665  0.622401  1
  Fe  Fe172  1  0.574669  0.946181  0.583931  1
  Fe  Fe173  1  0.078335  0.733375  0.611616  1
  Fe  Fe174  1  0.930616  0.439180  0.650070  1
  Fe  Fe175  1  0.578335  0.733375  0.611616  1
  Fe  Fe176  1  0.430616  0.439180  0.650070  1
  Fe  Fe177  1  0.730170  0.828766  0.617973  1
  Fe  Fe178  1  0.877581  0.124660  0.579565  1
  Fe  Fe179  1  0.230170  0.828766  0.617973  1
  Fe  Fe180  1  0.377581  0.124660  0.579565  1
  Fe  Fe181  1  0.519326  0.183286  0.652519  1
  Fe  Fe182  1  0.666977  0.478091  0.614006  1
  Fe  Fe183  1  0.019326  0.183286  0.652519  1
  Fe  Fe184  1  0.166977  0.478091  0.614006  1
  Fe  Fe185  1  0.805234  0.050481  0.644788  1
  Fe  Fe186  1  0.951736  0.346259  0.606355  1
  Fe  Fe187  1  0.305234  0.050481  0.644788  1
  Fe  Fe188  1  0.451736  0.346259  0.606355  1
  Fe  Fe189  1  0.288963  0.380003  0.577179  1
  Fe  Fe190  1  0.141739  0.083920  0.615507  1
  Fe  Fe191  1  0.788963  0.380003  0.577179  1
  Fe  Fe192  1  0.641739  0.083920  0.615507  1
  Fe  Fe193  1  0.881228  0.911606  0.607278  1
  Fe  Fe194  1  0.732526  0.615328  0.645990  1
  Fe  Fe195  1  0.381228  0.911606  0.607278  1
  Fe  Fe196  1  0.232526  0.615328  0.645990  1
  Fe  Fe197  1  0.004027  0.511919  0.584803  1
  Fe  Fe198  1  0.856686  0.216354  0.623404  1
  Fe  Fe199  1  0.504027  0.511919  0.584803  1
  Fe  Fe200  1  0.356686  0.216354  0.623404  1
  Fe  Fe201  1  0.356000  0.698584  0.717159  1
  Fe  Fe202  1  0.500565  0.991908  0.677463  1
  Fe  Fe203  1  0.856000  0.698584  0.717159  1
  Fe  Fe204  1  0.000565  0.991908  0.677463  1
  Fe  Fe205  1  0.866781  0.684584  0.667108  1
  Fe  Fe206  1  0.719603  0.389918  0.706216  1
  Fe  Fe207  1  0.366781  0.684584  0.667108  1
  Fe  Fe208  1  0.219603  0.389918  0.706216  1
  Fe  Fe209  1  0.637703  0.058371  0.699674  1
  Fe  Fe210  1  0.778400  0.356124  0.660806  1
  Fe  Fe211  1  0.137703  0.058371  0.699674  1
  Fe  Fe212  1  0.278400  0.356124  0.660806  1
  Fe  Fe213  1  0.783101  0.142337  0.688514  1
  Fe  Fe214  1  0.635836  0.853438  0.726683  1
  Fe  Fe215  1  0.283101  0.142337  0.688514  1
  Fe  Fe216  1  0.135836  0.853438  0.726683  1
  Fe  Fe217  1  0.435829  0.240555  0.694947  1
  Fe  Fe218  1  0.582055  0.533749  0.656602  1
  Fe  Fe219  1  0.935829  0.240555  0.694947  1
  Fe  Fe220  1  0.082055  0.533749  0.656602  1
  Fe  Fe221  1  0.228030  0.591696  0.729611  1
  Fe  Fe222  1  0.373552  0.887763  0.691015  1
  Fe  Fe223  1  0.728030  0.591696  0.729611  1
  Fe  Fe224  1  0.873552  0.887763  0.691015  1
  Fe  Fe225  1  0.495112  0.456017  0.722014  1
  Fe  Fe226  1  0.659500  0.753697  0.683071  1
  Fe  Fe227  1  0.995112  0.456017  0.722014  1
  Fe  Fe228  1  0.159500  0.753697  0.683071  1
  Fe  Fe229  1  0.994097  0.788717  0.654003  1
  Fe  Fe230  1  0.846736  0.492229  0.691826  1
  Fe  Fe231  1  0.494097  0.788717  0.654003  1
  Fe  Fe232  1  0.346736  0.492229  0.691826  1
  Fe  Fe233  1  0.586474  0.321809  0.683893  1
  Fe  Fe234  1  0.443279  0.024710  0.723064  1
  Fe  Fe235  1  0.086474  0.321809  0.683893  1
  Fe  Fe236  1  0.943279  0.024710  0.723064  1
  Fe  Fe237  1  0.708497  0.921385  0.661475  1
  Fe  Fe238  1  0.560390  0.628021  0.700619  1
  Fe  Fe239  1  0.208497  0.921385  0.661475  1
  Fe  Fe240  1  0.060390  0.628021  0.700619  1
  C  C241  1  0.139202  0.091054  0.281080  1
  C  C242  1  0.996455  0.792517  0.318756  1
  C  C243  1  0.639202  0.091054  0.281080  1
  C  C244  1  0.496455  0.792517  0.318756  1
  C  C245  1  0.951782  0.475041  0.299122  1
  C  C246  1  0.807172  0.175021  0.336842  1
  C  C247  1  0.451782  0.475041  0.299122  1
  C  C248  1  0.307172  0.175021  0.336842  1
  C  C249  1  0.213285  0.818054  0.315264  1
  C  C250  1  0.359850  0.117534  0.277849  1
  C  C251  1  0.713285  0.818054  0.315264  1
  C  C252  1  0.859850  0.117534  0.277849  1
  C  C253  1  0.024829  0.203764  0.333778  1
  C  C254  1  0.170427  0.497774  0.295533  1
  C  C255  1  0.524829  0.203764  0.333778  1
  C  C256  1  0.670427  0.497774  0.295533  1
  C  C257  1  0.847683  0.497521  0.357636  1
  C  C258  1  0.700230  0.201725  0.396045  1
  C  C259  1  0.347683  0.497521  0.357636  1
  C  C260  1  0.200230  0.201725  0.396045  1
  C  C261  1  0.659308  0.881137  0.375539  1
  C  C262  1  0.511913  0.585579  0.413926  1
  C  C263  1  0.159308  0.881137  0.375539  1
  C  C264  1  0.011913  0.585579  0.413926  1
  C  C265  1  0.918369  0.228260  0.392627  1
  C  C266  1  0.065926  0.523958  0.354241  1
  C  C267  1  0.418369  0.228260  0.392627  1
  C  C268  1  0.565926  0.523958  0.354241  1
  C  C269  1  0.730253  0.612113  0.410496  1
  C  C270  1  0.877755  0.907411  0.371982  1
  C  C271  1  0.230253  0.612113  0.410496  1
  C  C272  1  0.377755  0.907411  0.371982  1
  C  C273  1  0.552697  0.906294  0.434561  1
  C  C274  1  0.405283  0.610595  0.473023  1
  C  C275  1  0.052697  0.906294  0.434561  1
  C  C276  1  0.905283  0.610595  0.473023  1
  C  C277  1  0.364397  0.290086  0.452402  1
  C  C278  1  0.216962  0.994523  0.490862  1
  C  C279  1  0.864397  0.290086  0.452402  1
  C  C280  1  0.716962  0.994523  0.490862  1
  C  C281  1  0.623647  0.636965  0.469555  1
  C  C282  1  0.771131  0.932476  0.431076  1
  C  C283  1  0.123647  0.636965  0.469555  1
  C  C284  1  0.271131  0.932476  0.431076  1
  C  C285  1  0.435348  0.020849  0.487397  1
  C  C286  1  0.582799  0.316459  0.448927  1
  C  C287  1  0.935348  0.020849  0.487397  1
  C  C288  1  0.082799  0.316459  0.448927  1
  C  C289  1  0.257829  0.315009  0.511485  1
  C  C290  1  0.110377  0.019399  0.549954  1
  C  C291  1  0.757829  0.315009  0.511485  1
  C  C292  1  0.610377  0.019399  0.549954  1
  C  C293  1  0.069530  0.698893  0.529326  1
  C  C294  1  0.922046  0.403382  0.567806  1
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  C  C296  1  0.422046  0.403382  0.567806  1
  C  C297  1  0.328780  0.045772  0.546480  1
  C  C298  1  0.476215  0.341335  0.508020  1
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  C  C300  1  0.976215  0.341335  0.508020  1
  C  C301  1  0.140480  0.429564  0.564321  1
  C  C302  1  0.287893  0.725263  0.525859  1
  C  C303  1  0.640480  0.429564  0.564321  1
  C  C304  1  0.787893  0.725263  0.525859  1
  C  C305  1  0.962924  0.723745  0.588386  1
  C  C306  1  0.815422  0.428447  0.626900  1
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  C  C308  1  0.315422  0.428447  0.626900  1
  C  C309  1  0.774807  0.107598  0.606255  1
  C  C310  1  0.627250  0.811900  0.644640  1
  C  C311  1  0.274807  0.107598  0.606255  1
  C  C312  1  0.127250  0.811900  0.644640  1
  C  C313  1  0.033868  0.454720  0.623343  1
  C  C314  1  0.181264  0.750279  0.584956  1
  C  C315  1  0.533868  0.454720  0.623343  1
  C  C316  1  0.681264  0.750279  0.584956  1
  C  C317  1  0.845493  0.838337  0.641246  1
  C  C318  1  0.992947  0.134133  0.602837  1
  C  C319  1  0.345493  0.838337  0.641246  1
  C  C320  1  0.492947  0.134133  0.602837  1
  C  C321  1  0.668348  0.132094  0.665104  1
  C  C322  1  0.522750  0.838084  0.703348  1
  C  C323  1  0.168348  0.132094  0.665104  1
  C  C324  1  0.022750  0.838084  0.703348  1
  C  C325  1  0.479891  0.517804  0.683617  1
  C  C326  1  0.333327  0.218324  0.721032  1
  C  C327  1  0.979891  0.517804  0.683617  1
  C  C328  1  0.833327  0.218324  0.721032  1
  C  C329  1  0.741395  0.860817  0.699760  1
  C  C330  1  0.886005  0.160836  0.662039  1
  C  C331  1  0.241395  0.860817  0.699760  1
  C  C332  1  0.386005  0.160836  0.662039  1
  C  C333  1  0.553975  0.244803  0.717801  1
  C  C334  1  0.696721  0.543341  0.680126  1
  C  C335  1  0.053975  0.244803  0.717801  1
  C  C336  1  0.196721  0.543341  0.680126  1
