# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.61682202
_cell_length_b   11.50904314
_cell_length_c   50.98325173
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.15729134
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe240 C96'
_cell_volume   5884.62776011
_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  0.815856  0.870684  0.321795  1
  Fe  Fe2  1  0.430927  0.429428  0.283187  1
  Fe  Fe3  1  0.815856  0.370684  0.321795  1
  Fe  Fe4  1  0.430927  0.929428  0.283187  1
  Fe  Fe5  1  0.377857  0.723809  0.293880  1
  Fe  Fe6  1  0.763760  0.163777  0.332722  1
  Fe  Fe7  1  0.377857  0.223809  0.293880  1
  Fe  Fe8  1  0.763760  0.663777  0.332722  1
  Fe  Fe9  1  0.662560  0.961196  0.340760  1
  Fe  Fe10  1  0.277697  0.523778  0.303140  1
  Fe  Fe11  1  0.662560  0.461196  0.340760  1
  Fe  Fe12  1  0.277697  0.023778  0.303140  1
  Fe  Fe13  1  0.690594  0.033116  0.294129  1
  Fe  Fe14  1  0.077608  0.474634  0.332308  1
  Fe  Fe15  1  0.690594  0.533116  0.294129  1
  Fe  Fe16  1  0.077608  0.974634  0.332308  1
  Fe  Fe17  1  0.502239  0.562260  0.322181  1
  Fe  Fe18  1  0.114003  0.124787  0.284210  1
  Fe  Fe19  1  0.502239  0.062260  0.322181  1
  Fe  Fe20  1  0.114003  0.624787  0.284210  1
  Fe  Fe21  1  0.987400  0.923320  0.288657  1
  Fe  Fe22  1  0.372442  0.362161  0.327907  1
  Fe  Fe23  1  0.987400  0.423320  0.288657  1
  Fe  Fe24  1  0.372442  0.862161  0.327907  1
  Fe  Fe25  1  0.641269  0.829249  0.288133  1
  Fe  Fe26  1  0.026792  0.269371  0.326533  1
  Fe  Fe27  1  0.641269  0.329249  0.288133  1
  Fe  Fe28  1  0.026792  0.769371  0.326533  1
  Fe  Fe29  1  0.206812  0.674560  0.327365  1
  Fe  Fe30  1  0.816386  0.230448  0.286534  1
  Fe  Fe31  1  0.206812  0.174560  0.327365  1
  Fe  Fe32  1  0.816386  0.730448  0.286534  1
  Fe  Fe33  1  0.531481  0.631921  0.275457  1
  Fe  Fe34  1  0.918012  0.074965  0.314038  1
  Fe  Fe35  1  0.531481  0.131921  0.275457  1
  Fe  Fe36  1  0.918012  0.574965  0.314038  1
  Fe  Fe37  1  0.552889  0.766034  0.328381  1
  Fe  Fe38  1  0.163432  0.330581  0.289781  1
  Fe  Fe39  1  0.552889  0.266034  0.328381  1
  Fe  Fe40  1  0.163432  0.830581  0.289781  1
  Fe  Fe41  1  0.588452  0.752714  0.398776  1
  Fe  Fe42  1  0.201553  0.313380  0.360495  1
  Fe  Fe43  1  0.588452  0.252714  0.398776  1
  Fe  Fe44  1  0.201553  0.813380  0.360495  1
  Fe  Fe45  1  0.151434  0.603303  0.370936  1
  Fe  Fe46  1  0.537557  0.043443  0.409339  1
  Fe  Fe47  1  0.151434  0.103303  0.370936  1
  Fe  Fe48  1  0.537557  0.543443  0.409339  1
  Fe  Fe49  1  0.434721  0.841276  0.417422  1
  Fe  Fe50  1  0.048336  0.401507  0.379163  1
  Fe  Fe51  1  0.434721  0.341276  0.417422  1
  Fe  Fe52  1  0.048336  0.901507  0.379163  1
  Fe  Fe53  1  0.464572  0.914116  0.370728  1
  Fe  Fe54  1  0.850839  0.354311  0.409054  1
  Fe  Fe55  1  0.464572  0.414116  0.370728  1
  Fe  Fe56  1  0.850839  0.854311  0.409054  1
  Fe  Fe57  1  0.275517  0.442168  0.399129  1
  Fe  Fe58  1  0.888196  0.001800  0.360854  1
  Fe  Fe59  1  0.275517  0.942168  0.399129  1
  Fe  Fe60  1  0.888196  0.501800  0.360854  1
  Fe  Fe61  1  0.759861  0.802408  0.366214  1
  Fe  Fe62  1  0.146100  0.242111  0.404445  1
  Fe  Fe63  1  0.759861  0.302408  0.366214  1
  Fe  Fe64  1  0.146100  0.742111  0.404445  1
  Fe  Fe65  1  0.414102  0.708962  0.364542  1
  Fe  Fe66  1  0.800761  0.149174  0.403078  1
  Fe  Fe67  1  0.414102  0.208962  0.364542  1
  Fe  Fe68  1  0.800761  0.649174  0.403078  1
  Fe  Fe69  1  0.980086  0.554125  0.403776  1
  Fe  Fe70  1  0.593029  0.113759  0.365064  1
  Fe  Fe71  1  0.980086  0.054125  0.403776  1
  Fe  Fe72  1  0.593029  0.613759  0.365064  1
  Fe  Fe73  1  0.305497  0.515721  0.352137  1
  Fe  Fe74  1  0.691442  0.954894  0.390717  1
  Fe  Fe75  1  0.305497  0.015721  0.352137  1
  Fe  Fe76  1  0.691442  0.454894  0.390717  1
  Fe  Fe77  1  0.325604  0.647145  0.405086  1
  Fe  Fe78  1  0.938599  0.207435  0.366845  1
  Fe  Fe79  1  0.325604  0.147145  0.405086  1
  Fe  Fe80  1  0.938599  0.707435  0.366845  1
  Fe  Fe81  1  0.361685  0.632912  0.475526  1
  Fe  Fe82  1  0.974855  0.192924  0.437214  1
  Fe  Fe83  1  0.361685  0.132912  0.475526  1
  Fe  Fe84  1  0.974855  0.692924  0.437214  1
  Fe  Fe85  1  0.924438  0.483300  0.447724  1
  Fe  Fe86  1  0.311094  0.923244  0.486076  1
  Fe  Fe87  1  0.924438  0.983300  0.447724  1
  Fe  Fe88  1  0.311094  0.423244  0.486076  1
  Fe  Fe89  1  0.207984  0.721206  0.494197  1
  Fe  Fe90  1  0.821286  0.281312  0.455853  1
  Fe  Fe91  1  0.207984  0.221206  0.494197  1
  Fe  Fe92  1  0.821286  0.781312  0.455853  1
  Fe  Fe93  1  0.237373  0.794185  0.447336  1
  Fe  Fe94  1  0.624069  0.234135  0.485745  1
  Fe  Fe95  1  0.237373  0.294185  0.447336  1
  Fe  Fe96  1  0.624069  0.734135  0.485745  1
  Fe  Fe97  1  0.048640  0.322018  0.475906  1
  Fe  Fe98  1  0.661909  0.882020  0.437543  1
  Fe  Fe99  1  0.048640  0.822018  0.475906  1
  Fe  Fe100  1  0.661909  0.382020  0.437543  1
  Fe  Fe101  1  0.532760  0.682168  0.442869  1
  Fe  Fe102  1  0.919440  0.122135  0.481197  1
  Fe  Fe103  1  0.532760  0.182168  0.442869  1
  Fe  Fe104  1  0.919440  0.622135  0.481197  1
  Fe  Fe105  1  0.187412  0.589048  0.441399  1
  Fe  Fe106  1  0.574011  0.028964  0.479774  1
  Fe  Fe107  1  0.187412  0.089048  0.441399  1
  Fe  Fe108  1  0.574011  0.528964  0.479774  1
  Fe  Fe109  1  0.753247  0.434026  0.480436  1
  Fe  Fe110  1  0.366540  0.994066  0.442017  1
  Fe  Fe111  1  0.753247  0.934026  0.480436  1
  Fe  Fe112  1  0.366540  0.494066  0.442017  1
  Fe  Fe113  1  0.078180  0.395044  0.429053  1
  Fe  Fe114  1  0.464782  0.834942  0.467427  1
  Fe  Fe115  1  0.078180  0.895044  0.429053  1
  Fe  Fe116  1  0.464782  0.334942  0.467427  1
  Fe  Fe117  1  0.098649  0.527106  0.481852  1
  Fe  Fe118  1  0.711942  0.087177  0.443501  1
  Fe  Fe119  1  0.098649  0.027106  0.481852  1
  Fe  Fe120  1  0.711942  0.587177  0.443501  1
  Fe  Fe121  1  0.134812  0.512730  0.552276  1
  Fe  Fe122  1  0.748157  0.072786  0.513924  1
  Fe  Fe123  1  0.134812  0.012730  0.552276  1
  Fe  Fe124  1  0.748157  0.572786  0.513924  1
  Fe  Fe125  1  0.697565  0.363119  0.524474  1
  Fe  Fe126  1  0.084396  0.803106  0.562786  1
  Fe  Fe127  1  0.697565  0.863119  0.524474  1
  Fe  Fe128  1  0.084396  0.303106  0.562786  1
  Fe  Fe129  1  0.981071  0.600986  0.570947  1
  Fe  Fe130  1  0.594469  0.161088  0.532573  1
  Fe  Fe131  1  0.981071  0.100986  0.570947  1
  Fe  Fe132  1  0.594469  0.661088  0.532573  1
  Fe  Fe133  1  0.010611  0.674012  0.524094  1
  Fe  Fe134  1  0.397342  0.114010  0.562457  1
  Fe  Fe135  1  0.010611  0.174012  0.524094  1
  Fe  Fe136  1  0.397342  0.614010  0.562457  1
  Fe  Fe137  1  0.821878  0.201845  0.552664  1
  Fe  Fe138  1  0.435182  0.761895  0.514255  1
  Fe  Fe139  1  0.821878  0.701845  0.552664  1
  Fe  Fe140  1  0.435182  0.261895  0.514255  1
  Fe  Fe141  1  0.306003  0.562004  0.519564  1
  Fe  Fe142  1  0.692710  0.001965  0.557983  1
  Fe  Fe143  1  0.306003  0.062004  0.519564  1
  Fe  Fe144  1  0.692710  0.501965  0.557983  1
  Fe  Fe145  1  0.960602  0.468925  0.518148  1
  Fe  Fe146  1  0.347309  0.908853  0.556499  1
  Fe  Fe147  1  0.960602  0.968925  0.518148  1
  Fe  Fe148  1  0.347309  0.408853  0.556499  1
  Fe  Fe149  1  0.526490  0.313862  0.557131  1
  Fe  Fe150  1  0.139810  0.873896  0.518803  1
  Fe  Fe151  1  0.526490  0.813862  0.557131  1
  Fe  Fe152  1  0.139810  0.373896  0.518803  1
  Fe  Fe153  1  0.851267  0.274824  0.505803  1
  Fe  Fe154  1  0.237965  0.714718  0.544147  1
  Fe  Fe155  1  0.851267  0.774824  0.505803  1
  Fe  Fe156  1  0.237965  0.214718  0.544147  1
  Fe  Fe157  1  0.871839  0.406982  0.558601  1
  Fe  Fe158  1  0.485240  0.967066  0.520226  1
  Fe  Fe159  1  0.871839  0.906982  0.558601  1
  Fe  Fe160  1  0.485240  0.467066  0.520226  1
  Fe  Fe161  1  0.907817  0.392727  0.629064  1
  Fe  Fe162  1  0.521694  0.952587  0.590661  1
  Fe  Fe163  1  0.907817  0.892727  0.629064  1
  Fe  Fe164  1  0.521694  0.452587  0.590661  1
  Fe  Fe165  1  0.470799  0.243316  0.601224  1
  Fe  Fe166  1  0.857697  0.682650  0.639505  1
  Fe  Fe167  1  0.470799  0.743316  0.601224  1
  Fe  Fe168  1  0.857697  0.182650  0.639505  1
  Fe  Fe169  1  0.753754  0.480310  0.647863  1
  Fe  Fe170  1  0.367809  0.041136  0.609283  1
  Fe  Fe171  1  0.753754  0.980310  0.647863  1
  Fe  Fe172  1  0.367809  0.541136  0.609283  1
  Fe  Fe173  1  0.783734  0.553862  0.600871  1
  Fe  Fe174  1  0.171055  0.994230  0.639146  1
  Fe  Fe175  1  0.783734  0.053862  0.600871  1
  Fe  Fe176  1  0.171055  0.494230  0.639146  1
  Fe  Fe177  1  0.594679  0.081914  0.629272  1
  Fe  Fe178  1  0.208411  0.641720  0.590946  1
  Fe  Fe179  1  0.594679  0.581914  0.629272  1
  Fe  Fe180  1  0.208411  0.141720  0.590946  1
  Fe  Fe181  1  0.079165  0.441905  0.596224  1
  Fe  Fe182  1  0.466222  0.882271  0.634936  1
  Fe  Fe183  1  0.079165  0.941905  0.596224  1
  Fe  Fe184  1  0.466222  0.382271  0.634936  1
  Fe  Fe185  1  0.733647  0.348885  0.594914  1
  Fe  Fe186  1  0.120652  0.788595  0.633155  1
  Fe  Fe187  1  0.733647  0.848885  0.594914  1
  Fe  Fe188  1  0.120652  0.288595  0.633155  1
  Fe  Fe189  1  0.299390  0.193622  0.633786  1
  Fe  Fe190  1  0.913150  0.753919  0.595555  1
  Fe  Fe191  1  0.299390  0.693622  0.633786  1
  Fe  Fe192  1  0.913150  0.253919  0.595555  1
  Fe  Fe193  1  0.624529  0.154754  0.582578  1
  Fe  Fe194  1  0.010914  0.594524  0.620837  1
  Fe  Fe195  1  0.624529  0.654754  0.582578  1
  Fe  Fe196  1  0.010914  0.094524  0.620837  1
  Fe  Fe197  1  0.645149  0.287068  0.635458  1
  Fe  Fe198  1  0.258490  0.846856  0.596922  1
  Fe  Fe199  1  0.645149  0.787068  0.635458  1
  Fe  Fe200  1  0.258490  0.346856  0.596922  1
  Fe  Fe201  1  0.681394  0.272221  0.706120  1
  Fe  Fe202  1  0.295490  0.832253  0.667278  1
  Fe  Fe203  1  0.681394  0.772221  0.706120  1
  Fe  Fe204  1  0.295490  0.332253  0.667278  1
  Fe  Fe205  1  0.243395  0.125346  0.678205  1
  Fe  Fe206  1  0.628324  0.566602  0.716813  1
  Fe  Fe207  1  0.243395  0.625346  0.678205  1
  Fe  Fe208  1  0.628324  0.066602  0.716813  1
  Fe  Fe209  1  0.527770  0.364109  0.724543  1
  Fe  Fe210  1  0.141239  0.921065  0.685962  1
  Fe  Fe211  1  0.527770  0.864109  0.724543  1
  Fe  Fe212  1  0.141239  0.421065  0.685962  1
  Fe  Fe213  1  0.557012  0.433770  0.677819  1
  Fe  Fe214  1  0.945248  0.871243  0.715790  1
  Fe  Fe215  1  0.557012  0.933770  0.677819  1
  Fe  Fe216  1  0.945248  0.371243  0.715790  1
  Fe  Fe217  1  0.368657  0.962914  0.705871  1
  Fe  Fe218  1  0.981642  0.521396  0.667692  1
  Fe  Fe219  1  0.368657  0.462914  0.705871  1
  Fe  Fe220  1  0.981642  0.021396  0.667692  1
  Fe  Fe221  1  0.852439  0.321470  0.672635  1
  Fe  Fe222  1  0.242865  0.765582  0.713466  1
  Fe  Fe223  1  0.852439  0.821470  0.672635  1
  Fe  Fe224  1  0.242865  0.265582  0.713466  1
  Fe  Fe225  1  0.506362  0.229997  0.671619  1
  Fe  Fe226  1  0.895818  0.665450  0.710219  1
  Fe  Fe227  1  0.506362  0.729997  0.671619  1
  Fe  Fe228  1  0.895818  0.165450  0.710219  1
  Fe  Fe229  1  0.071850  0.072710  0.711343  1
  Fe  Fe230  1  0.686809  0.633870  0.672093  1
  Fe  Fe231  1  0.071850  0.572710  0.711343  1
  Fe  Fe232  1  0.686809  0.133870  0.672093  1
  Fe  Fe233  1  0.396691  0.034834  0.659240  1
  Fe  Fe234  1  0.781554  0.472252  0.696860  1
  Fe  Fe235  1  0.396691  0.534834  0.659240  1
  Fe  Fe236  1  0.781554  0.972252  0.696860  1
  Fe  Fe237  1  0.417982  0.166781  0.711867  1
  Fe  Fe238  1  0.032459  0.726659  0.673467  1
  Fe  Fe239  1  0.417982  0.666781  0.711867  1
  Fe  Fe240  1  0.032459  0.226659  0.673467  1
  C  C241  1  0.817257  0.948695  0.288415  1
  C  C242  1  0.202964  0.388611  0.326784  1
  C  C243  1  0.817257  0.448695  0.288415  1
  C  C244  1  0.202964  0.888611  0.326784  1
  C  C245  1  0.649209  0.682362  0.305006  1
  C  C246  1  0.034425  0.123330  0.343839  1
  C  C247  1  0.649209  0.182362  0.305006  1
  C  C248  1  0.034425  0.623330  0.343839  1
  C  C249  1  0.544324  0.912140  0.311251  1
  C  C250  1  0.162047  0.480084  0.273147  1
  C  C251  1  0.544324  0.412140  0.311251  1
  C  C252  1  0.162047  0.980084  0.273147  1
  C  C253  1  0.376207  0.647733  0.327523  1
  C  C254  1  0.988087  0.209850  0.290090  1
  C  C255  1  0.376207  0.147733  0.327523  1
  C  C256  1  0.988087  0.709850  0.290090  1
  C  C257  1  0.590150  0.828430  0.365108  1
  C  C258  1  0.976709  0.268830  0.403567  1
  C  C259  1  0.590150  0.328430  0.365108  1
  C  C260  1  0.976709  0.768830  0.403567  1
  C  C261  1  0.421732  0.563193  0.381979  1
  C  C262  1  0.808208  0.003243  0.420465  1
  C  C263  1  0.421732  0.063193  0.381979  1
  C  C264  1  0.808208  0.503243  0.420465  1
  C  C265  1  0.317818  0.792949  0.387694  1
  C  C266  1  0.931483  0.353413  0.349426  1
  C  C267  1  0.317818  0.292949  0.387694  1
  C  C268  1  0.931483  0.853413  0.349426  1
  C  C269  1  0.149592  0.527601  0.404609  1
  C  C270  1  0.762711  0.087705  0.366327  1
  C  C271  1  0.149592  0.027601  0.404609  1
  C  C272  1  0.762711  0.587705  0.366327  1
  C  C273  1  0.363321  0.708763  0.441875  1
  C  C274  1  0.749942  0.148644  0.480272  1
  C  C275  1  0.363321  0.208763  0.441875  1
  C  C276  1  0.749942  0.648644  0.480272  1
  C  C277  1  0.194919  0.443183  0.458807  1
  C  C278  1  0.581519  0.883100  0.497182  1
  C  C279  1  0.194919  0.943183  0.458807  1
  C  C280  1  0.581519  0.383100  0.497182  1
  C  C281  1  0.091182  0.673003  0.464453  1
  C  C282  1  0.704459  0.233094  0.426113  1
  C  C283  1  0.091182  0.173003  0.464453  1
  C  C284  1  0.704459  0.733094  0.426113  1
  C  C285  1  0.922706  0.407447  0.481377  1
  C  C286  1  0.536007  0.967512  0.442979  1
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  C  C289  1  0.136545  0.588583  0.518623  1
  C  C290  1  0.523244  0.028518  0.557021  1
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  C  C293  1  0.968068  0.323028  0.535547  1
  C  C294  1  0.354792  0.762936  0.573887  1
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  C  C296  1  0.354792  0.262936  0.573887  1
  C  C297  1  0.864332  0.552847  0.541193  1
  C  C298  1  0.477732  0.112930  0.502818  1
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  C  C300  1  0.477732  0.612930  0.502818  1
  C  C301  1  0.695930  0.287267  0.558125  1
  C  C302  1  0.309309  0.847387  0.519728  1
  C  C303  1  0.695930  0.787267  0.558125  1
  C  C304  1  0.309309  0.347387  0.519728  1
  C  C305  1  0.909659  0.468429  0.595391  1
  C  C306  1  0.296540  0.908325  0.633673  1
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  C  C308  1  0.296540  0.408325  0.633673  1
  C  C309  1  0.741433  0.203082  0.612306  1
  C  C310  1  0.127768  0.642618  0.650574  1
  C  C311  1  0.741433  0.703082  0.612306  1
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  C  C313  1  0.637519  0.432837  0.618021  1
  C  C314  1  0.251043  0.992787  0.579535  1
  C  C315  1  0.637519  0.932837  0.618021  1
  C  C316  1  0.251043  0.492787  0.579535  1
  C  C317  1  0.469100  0.167600  0.634892  1
  C  C318  1  0.082542  0.727200  0.596433  1
  C  C319  1  0.469100  0.667600  0.634892  1
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  C  C321  1  0.683044  0.348297  0.672477  1
  C  C322  1  0.071164  0.786181  0.709910  1
  C  C323  1  0.683044  0.848297  0.672477  1
  C  C324  1  0.071164  0.286181  0.709910  1
  C  C325  1  0.514927  0.083891  0.688749  1
  C  C326  1  0.897204  0.515946  0.726853  1
  C  C327  1  0.514927  0.583891  0.688749  1
  C  C328  1  0.897204  0.015946  0.726853  1
  C  C329  1  0.410042  0.313668  0.694994  1
  C  C330  1  0.024826  0.872701  0.656161  1
  C  C331  1  0.410042  0.813668  0.694994  1
  C  C332  1  0.024826  0.372701  0.656161  1
  C  C333  1  0.241994  0.047335  0.711585  1
  C  C334  1  0.856286  0.607419  0.673216  1
  C  C335  1  0.241994  0.547335  0.711585  1
  C  C336  1  0.856286  0.107419  0.673216  1
