# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.23983046
_cell_length_b   11.38673349
_cell_length_c   46.88651354
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   63.58589339
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe240 C96'
_cell_volume   6330.59748812
_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  0.791987  0.917782  0.305289  1
  Fe  Fe2  1  0.291987  0.917782  0.305289  1
  Fe  Fe3  1  0.664929  0.636786  0.342811  1
  Fe  Fe4  1  0.164929  0.636786  0.342811  1
  Fe  Fe5  1  0.340938  0.035074  0.341394  1
  Fe  Fe6  1  0.840938  0.035074  0.341394  1
  Fe  Fe7  1  0.473597  0.306323  0.302610  1
  Fe  Fe8  1  0.973597  0.306323  0.302610  1
  Fe  Fe9  1  0.604174  0.753053  0.297860  1
  Fe  Fe10  1  0.104174  0.753053  0.297860  1
  Fe  Fe11  1  0.480813  0.469396  0.334611  1
  Fe  Fe12  1  0.980813  0.469396  0.334611  1
  Fe  Fe13  1  0.334618  0.390022  0.344279  1
  Fe  Fe14  1  0.834618  0.390022  0.344279  1
  Fe  Fe15  1  0.465384  0.669935  0.308729  1
  Fe  Fe16  1  0.965384  0.669935  0.308729  1
  Fe  Fe17  1  0.821145  0.552403  0.303749  1
  Fe  Fe18  1  0.321145  0.552403  0.303749  1
  Fe  Fe19  1  0.671221  0.279473  0.340703  1
  Fe  Fe20  1  0.171221  0.279473  0.340703  1
  Fe  Fe21  1  0.785753  0.734825  0.331380  1
  Fe  Fe22  1  0.285753  0.734825  0.331380  1
  Fe  Fe23  1  0.920567  0.009967  0.294018  1
  Fe  Fe24  1  0.420567  0.009967  0.294018  1
  Fe  Fe25  1  0.590462  0.050467  0.313967  1
  Fe  Fe26  1  0.090462  0.050467  0.313967  1
  Fe  Fe27  1  0.459245  0.774176  0.350472  1
  Fe  Fe28  1  0.959245  0.774176  0.350472  1
  Fe  Fe29  1  0.351422  0.214690  0.317540  1
  Fe  Fe30  1  0.851422  0.214690  0.317540  1
  Fe  Fe31  1  0.223459  0.935308  0.353144  1
  Fe  Fe32  1  0.723459  0.935308  0.353144  1
  Fe  Fe33  1  0.526678  0.199756  0.350226  1
  Fe  Fe34  1  0.026678  0.199756  0.350226  1
  Fe  Fe35  1  0.654696  0.481189  0.313693  1
  Fe  Fe36  1  0.154696  0.481189  0.313693  1
  Fe  Fe37  1  0.546212  0.895761  0.334557  1
  Fe  Fe38  1  0.046212  0.895761  0.334557  1
  Fe  Fe39  1  0.685110  0.181188  0.298765  1
  Fe  Fe40  1  0.185110  0.181188  0.298765  1
  Fe  Fe41  1  0.533965  0.357614  0.378897  1
  Fe  Fe42  1  0.033965  0.357614  0.378897  1
  Fe  Fe43  1  0.403565  0.078864  0.414464  1
  Fe  Fe44  1  0.903565  0.078864  0.414464  1
  Fe  Fe45  1  0.081399  0.475589  0.412626  1
  Fe  Fe46  1  0.581399  0.475589  0.412626  1
  Fe  Fe47  1  0.212144  0.754392  0.376897  1
  Fe  Fe48  1  0.712144  0.754392  0.376897  1
  Fe  Fe49  1  0.348906  0.191390  0.369589  1
  Fe  Fe50  1  0.848906  0.191390  0.369589  1
  Fe  Fe51  1  0.218960  0.911762  0.405471  1
  Fe  Fe52  1  0.718960  0.911762  0.405471  1
  Fe  Fe53  1  0.073445  0.832562  0.415601  1
  Fe  Fe54  1  0.573445  0.832562  0.415601  1
  Fe  Fe55  1  0.203589  0.111774  0.379773  1
  Fe  Fe56  1  0.703589  0.111774  0.379773  1
  Fe  Fe57  1  0.541421  0.001405  0.375474  1
  Fe  Fe58  1  0.041421  0.001405  0.375474  1
  Fe  Fe59  1  0.411961  0.721513  0.411562  1
  Fe  Fe60  1  0.911961  0.721513  0.411562  1
  Fe  Fe61  1  0.524558  0.176687  0.402184  1
  Fe  Fe62  1  0.024558  0.176687  0.402184  1
  Fe  Fe63  1  0.655240  0.455264  0.366437  1
  Fe  Fe64  1  0.155240  0.455264  0.366437  1
  Fe  Fe65  1  0.329477  0.494751  0.385828  1
  Fe  Fe66  1  0.829477  0.494751  0.385828  1
  Fe  Fe67  1  0.198970  0.215764  0.421488  1
  Fe  Fe68  1  0.698970  0.215764  0.421488  1
  Fe  Fe69  1  0.091219  0.657065  0.389398  1
  Fe  Fe70  1  0.591219  0.657065  0.389398  1
  Fe  Fe71  1  0.960624  0.377799  0.425057  1
  Fe  Fe72  1  0.460624  0.377799  0.425057  1
  Fe  Fe73  1  0.266020  0.642542  0.421626  1
  Fe  Fe74  1  0.766020  0.642542  0.421626  1
  Fe  Fe75  1  0.396652  0.922134  0.385871  1
  Fe  Fe76  1  0.896652  0.922134  0.385871  1
  Fe  Fe77  1  0.286055  0.338425  0.405723  1
  Fe  Fe78  1  0.786055  0.338425  0.405723  1
  Fe  Fe79  1  0.415692  0.618318  0.370054  1
  Fe  Fe80  1  0.915692  0.618318  0.370054  1
  Fe  Fe81  1  0.273087  0.799837  0.450101  1
  Fe  Fe82  1  0.773087  0.799837  0.450101  1
  Fe  Fe83  1  0.142722  0.520600  0.485815  1
  Fe  Fe84  1  0.642722  0.520600  0.485815  1
  Fe  Fe85  1  0.820511  0.917315  0.484008  1
  Fe  Fe86  1  0.320511  0.917315  0.484008  1
  Fe  Fe87  1  0.951011  0.196378  0.448272  1
  Fe  Fe88  1  0.451011  0.196378  0.448272  1
  Fe  Fe89  1  0.088458  0.632779  0.441202  1
  Fe  Fe90  1  0.588458  0.632779  0.441202  1
  Fe  Fe91  1  0.958115  0.353556  0.476867  1
  Fe  Fe92  1  0.458115  0.353556  0.476867  1
  Fe  Fe93  1  0.812671  0.274431  0.486971  1
  Fe  Fe94  1  0.312671  0.274431  0.486971  1
  Fe  Fe95  1  0.943025  0.553788  0.451298  1
  Fe  Fe96  1  0.443025  0.553788  0.451298  1
  Fe  Fe97  1  0.281195  0.442483  0.447199  1
  Fe  Fe98  1  0.781195  0.442483  0.447199  1
  Fe  Fe99  1  0.150785  0.163311  0.482859  1
  Fe  Fe100  1  0.650785  0.163311  0.482859  1
  Fe  Fe101  1  0.263557  0.618420  0.473434  1
  Fe  Fe102  1  0.763557  0.618420  0.473434  1
  Fe  Fe103  1  0.393571  0.897770  0.437708  1
  Fe  Fe104  1  0.893571  0.897770  0.437708  1
  Fe  Fe105  1  0.068475  0.936784  0.457084  1
  Fe  Fe106  1  0.568475  0.936784  0.457084  1
  Fe  Fe107  1  0.938115  0.657597  0.492782  1
  Fe  Fe108  1  0.438115  0.657597  0.492782  1
  Fe  Fe109  1  0.830167  0.098405  0.460618  1
  Fe  Fe110  1  0.330167  0.098405  0.460618  1
  Fe  Fe111  1  0.699745  0.819456  0.496355  1
  Fe  Fe112  1  0.199745  0.819456  0.496355  1
  Fe  Fe113  1  0.005194  0.084224  0.492952  1
  Fe  Fe114  1  0.505194  0.084224  0.492952  1
  Fe  Fe115  1  0.135607  0.363443  0.457287  1
  Fe  Fe116  1  0.635607  0.363443  0.457287  1
  Fe  Fe117  1  0.025226  0.780274  0.477018  1
  Fe  Fe118  1  0.525226  0.780274  0.477018  1
  Fe  Fe119  1  0.155477  0.059460  0.441276  1
  Fe  Fe120  1  0.655477  0.059460  0.441276  1
  Fe  Fe121  1  0.012351  0.241401  0.521460  1
  Fe  Fe122  1  0.512351  0.241401  0.521460  1
  Fe  Fe123  1  0.881851  0.962338  0.557195  1
  Fe  Fe124  1  0.381851  0.962338  0.557195  1
  Fe  Fe125  1  0.559774  0.358880  0.555367  1
  Fe  Fe126  1  0.059774  0.358880  0.555367  1
  Fe  Fe127  1  0.690140  0.638116  0.519652  1
  Fe  Fe128  1  0.190140  0.638116  0.519652  1
  Fe  Fe129  1  0.827667  0.074493  0.512516  1
  Fe  Fe130  1  0.327667  0.074493  0.512516  1
  Fe  Fe131  1  0.697255  0.795273  0.548180  1
  Fe  Fe132  1  0.197255  0.795273  0.548180  1
  Fe  Fe133  1  0.551666  0.716233  0.558269  1
  Fe  Fe134  1  0.051666  0.716233  0.558269  1
  Fe  Fe135  1  0.682077  0.995405  0.522609  1
  Fe  Fe136  1  0.182077  0.995405  0.522609  1
  Fe  Fe137  1  0.020190  0.884286  0.518496  1
  Fe  Fe138  1  0.520190  0.884286  0.518496  1
  Fe  Fe139  1  0.889836  0.604928  0.554169  1
  Fe  Fe140  1  0.389836  0.604928  0.554169  1
  Fe  Fe141  1  0.002695  0.060312  0.544850  1
  Fe  Fe142  1  0.502695  0.060312  0.544850  1
  Fe  Fe143  1  0.133116  0.339260  0.509113  1
  Fe  Fe144  1  0.633116  0.339260  0.509113  1
  Fe  Fe145  1  0.807635  0.378443  0.528450  1
  Fe  Fe146  1  0.307635  0.378443  0.528450  1
  Fe  Fe147  1  0.677384  0.099257  0.564191  1
  Fe  Fe148  1  0.177384  0.099257  0.564191  1
  Fe  Fe149  1  0.569305  0.540297  0.532033  1
  Fe  Fe150  1  0.069305  0.540297  0.532033  1
  Fe  Fe151  1  0.439291  0.260946  0.567760  1
  Fe  Fe152  1  0.939291  0.260946  0.567760  1
  Fe  Fe153  1  0.744404  0.525938  0.564265  1
  Fe  Fe154  1  0.244404  0.525938  0.564265  1
  Fe  Fe155  1  0.874746  0.805161  0.528601  1
  Fe  Fe156  1  0.374746  0.805161  0.528601  1
  Fe  Fe157  1  0.764387  0.221933  0.548384  1
  Fe  Fe158  1  0.264387  0.221933  0.548384  1
  Fe  Fe159  1  0.894746  0.501119  0.512686  1
  Fe  Fe160  1  0.394746  0.501119  0.512686  1
  Fe  Fe161  1  0.751463  0.683128  0.592841  1
  Fe  Fe162  1  0.251463  0.683128  0.592841  1
  Fe  Fe163  1  0.620717  0.404324  0.628570  1
  Fe  Fe164  1  0.120717  0.404324  0.628570  1
  Fe  Fe165  1  0.298897  0.801103  0.626570  1
  Fe  Fe166  1  0.798897  0.801103  0.626570  1
  Fe  Fe167  1  0.429297  0.079852  0.591003  1
  Fe  Fe168  1  0.929297  0.079852  0.591003  1
  Fe  Fe169  1  0.566842  0.516174  0.583841  1
  Fe  Fe170  1  0.066842  0.516174  0.583841  1
  Fe  Fe171  1  0.436209  0.236582  0.619597  1
  Fe  Fe172  1  0.936209  0.236582  0.619597  1
  Fe  Fe173  1  0.291440  0.157312  0.629993  1
  Fe  Fe174  1  0.791440  0.157312  0.629993  1
  Fe  Fe175  1  0.420900  0.437204  0.593906  1
  Fe  Fe176  1  0.920900  0.437204  0.593906  1
  Fe  Fe177  1  0.759416  0.326155  0.589867  1
  Fe  Fe178  1  0.259416  0.326155  0.589867  1
  Fe  Fe179  1  0.629272  0.046943  0.625695  1
  Fe  Fe180  1  0.129272  0.046943  0.625695  1
  Fe  Fe181  1  0.741643  0.501651  0.616070  1
  Fe  Fe182  1  0.241643  0.501651  0.616070  1
  Fe  Fe183  1  0.872238  0.780917  0.580410  1
  Fe  Fe184  1  0.372238  0.780917  0.580410  1
  Fe  Fe185  1  0.546806  0.820292  0.599745  1
  Fe  Fe186  1  0.046806  0.820292  0.599745  1
  Fe  Fe187  1  0.417169  0.540399  0.635414  1
  Fe  Fe188  1  0.917169  0.540399  0.635414  1
  Fe  Fe189  1  0.308303  0.982029  0.603284  1
  Fe  Fe190  1  0.808303  0.982029  0.603284  1
  Fe  Fe191  1  0.177622  0.703452  0.639031  1
  Fe  Fe192  1  0.677622  0.703452  0.639031  1
  Fe  Fe193  1  0.483956  0.967327  0.635878  1
  Fe  Fe194  1  0.983956  0.967327  0.635878  1
  Fe  Fe195  1  0.613902  0.246955  0.599996  1
  Fe  Fe196  1  0.113902  0.246955  0.599996  1
  Fe  Fe197  1  0.503384  0.663966  0.619640  1
  Fe  Fe198  1  0.003384  0.663966  0.619640  1
  Fe  Fe199  1  0.633891  0.942952  0.583979  1
  Fe  Fe200  1  0.133891  0.942952  0.583979  1
  Fe  Fe201  1  0.491924  0.123643  0.664074  1
  Fe  Fe202  1  0.991924  0.123643  0.664074  1
  Fe  Fe203  1  0.359264  0.852394  0.702857  1
  Fe  Fe204  1  0.859264  0.852394  0.702857  1
  Fe  Fe205  1  0.040874  0.240934  0.700179  1
  Fe  Fe206  1  0.540874  0.240934  0.700179  1
  Fe  Fe207  1  0.167932  0.521931  0.662656  1
  Fe  Fe208  1  0.667932  0.521931  0.662656  1
  Fe  Fe209  1  0.306184  0.958961  0.655241  1
  Fe  Fe210  1  0.806184  0.958961  0.655241  1
  Fe  Fe211  1  0.178165  0.677528  0.691775  1
  Fe  Fe212  1  0.678165  0.677528  0.691775  1
  Fe  Fe213  1  0.011716  0.606313  0.701719  1
  Fe  Fe214  1  0.511716  0.606313  0.701719  1
  Fe  Fe215  1  0.161641  0.879244  0.664765  1
  Fe  Fe216  1  0.661641  0.879244  0.664765  1
  Fe  Fe217  1  0.498243  0.768694  0.661188  1
  Fe  Fe218  1  0.998243  0.768694  0.661188  1
  Fe  Fe219  1  0.367478  0.488782  0.696739  1
  Fe  Fe220  1  0.867478  0.488782  0.696739  1
  Fe  Fe221  1  0.481440  0.944027  0.687928  1
  Fe  Fe222  1  0.981440  0.944027  0.687928  1
  Fe  Fe223  1  0.609402  0.223408  0.652324  1
  Fe  Fe224  1  0.109402  0.223408  0.652324  1
  Fe  Fe225  1  0.286650  0.262955  0.670911  1
  Fe  Fe226  1  0.786650  0.262955  0.670911  1
  Fe  Fe227  1  0.147752  0.977529  0.706703  1
  Fe  Fe228  1  0.647752  0.977529  0.706703  1
  Fe  Fe229  1  0.047108  0.423891  0.674087  1
  Fe  Fe230  1  0.547108  0.423891  0.674087  1
  Fe  Fe231  1  0.912294  0.148750  0.711450  1
  Fe  Fe232  1  0.412294  0.148750  0.711450  1
  Fe  Fe233  1  0.228687  0.405663  0.707608  1
  Fe  Fe234  1  0.728687  0.405663  0.707608  1
  Fe  Fe235  1  0.352049  0.689320  0.670857  1
  Fe  Fe236  1  0.852049  0.689320  0.670857  1
  Fe  Fe237  1  0.242399  0.108249  0.691500  1
  Fe  Fe238  1  0.742399  0.108249  0.691500  1
  Fe  Fe239  1  0.373617  0.384540  0.654996  1
  Fe  Fe240  1  0.873617  0.384540  0.654996  1
  C  C241  1  0.673152  0.864802  0.307638  1
  C  C242  1  0.173152  0.864802  0.307638  1
  C  C243  1  0.542702  0.589189  0.343384  1
  C  C244  1  0.042702  0.589189  0.343384  1
  C  C245  1  0.680039  0.106886  0.337356  1
  C  C246  1  0.180039  0.106886  0.337356  1
  C  C247  1  0.811581  0.388849  0.303827  1
  C  C248  1  0.311581  0.388849  0.303827  1
  C  C249  1  0.451910  0.844782  0.311601  1
  C  C250  1  0.951910  0.844782  0.311601  1
  C  C251  1  0.326111  0.562755  0.346443  1
  C  C252  1  0.826111  0.562755  0.346443  1
  C  C253  1  0.463833  0.081569  0.340804  1
  C  C254  1  0.963833  0.081569  0.340804  1
  C  C255  1  0.589535  0.363036  0.306747  1
  C  C256  1  0.089535  0.363036  0.306747  1
  C  C257  1  0.412006  0.309470  0.378921  1
  C  C258  1  0.912006  0.309470  0.378921  1
  C  C259  1  0.281618  0.030716  0.414328  1
  C  C260  1  0.781618  0.030716  0.414328  1
  C  C261  1  0.420134  0.548920  0.409382  1
  C  C262  1  0.920134  0.548920  0.409382  1
  C  C263  1  0.550851  0.828142  0.373709  1
  C  C264  1  0.050851  0.828142  0.373709  1
  C  C265  1  0.195212  0.284411  0.382203  1
  C  C266  1  0.695212  0.284411  0.382203  1
  C  C267  1  0.064837  0.005361  0.417695  1
  C  C268  1  0.564837  0.005361  0.417695  1
  C  C269  1  0.203380  0.523685  0.412642  1
  C  C270  1  0.703380  0.523685  0.412642  1
  C  C271  1  0.333517  0.803517  0.377132  1
  C  C272  1  0.833517  0.803517  0.377132  1
  C  C273  1  0.151224  0.751529  0.450174  1
  C  C274  1  0.651224  0.751529  0.450174  1
  C  C275  1  0.020821  0.472359  0.485842  1
  C  C276  1  0.520821  0.472359  0.485842  1
  C  C277  1  0.159272  0.990574  0.480679  1
  C  C278  1  0.659272  0.990574  0.480679  1
  C  C279  1  0.289733  0.269714  0.445058  1
  C  C280  1  0.789733  0.269714  0.445058  1
  C  C281  1  0.934325  0.726643  0.453422  1
  C  C282  1  0.434325  0.726643  0.453422  1
  C  C283  1  0.803981  0.447279  0.489091  1
  C  C284  1  0.303981  0.447279  0.489091  1
  C  C285  1  0.942433  0.965516  0.483933  1
  C  C286  1  0.442433  0.965516  0.483933  1
  C  C287  1  0.072904  0.244634  0.448317  1
  C  C288  1  0.572904  0.244634  0.448317  1
  C  C289  1  0.890428  0.193200  0.521535  1
  C  C290  1  0.390428  0.193200  0.521535  1
  C  C291  1  0.759958  0.914083  0.557150  1
  C  C292  1  0.259958  0.914083  0.557150  1
  C  C293  1  0.898536  0.432074  0.552045  1
  C  C294  1  0.398536  0.432074  0.552045  1
  C  C295  1  0.028880  0.711438  0.516377  1
  C  C296  1  0.528880  0.711438  0.516377  1
  C  C297  1  0.673589  0.168142  0.524788  1
  C  C298  1  0.173589  0.168142  0.524788  1
  C  C299  1  0.543129  0.889003  0.560410  1
  C  C300  1  0.043129  0.889003  0.560410  1
  C  C301  1  0.681638  0.407188  0.555294  1
  C  C302  1  0.181638  0.407188  0.555294  1
  C  C303  1  0.812040  0.686357  0.519625  1
  C  C304  1  0.312040  0.686357  0.519625  1
  C  C305  1  0.629481  0.635032  0.592825  1
  C  C306  1  0.129481  0.635032  0.592825  1
  C  C307  1  0.499345  0.355199  0.628335  1
  C  C308  1  0.999345  0.355199  0.628335  1
  C  C309  1  0.637650  0.874305  0.623265  1
  C  C310  1  0.137650  0.874305  0.623265  1
  C  C311  1  0.768024  0.153356  0.587772  1
  C  C312  1  0.268024  0.153356  0.587772  1
  C  C313  1  0.412727  0.609797  0.596086  1
  C  C314  1  0.912727  0.609797  0.596086  1
  C  C315  1  0.282010  0.330574  0.631758  1
  C  C316  1  0.782010  0.330574  0.631758  1
  C  C317  1  0.420856  0.849247  0.626547  1
  C  C318  1  0.920856  0.849247  0.626547  1
  C  C319  1  0.551243  0.128001  0.591140  1
  C  C320  1  0.051243  0.128001  0.591140  1
  C  C321  1  0.369028  0.077148  0.664664  1
  C  C322  1  0.869028  0.077148  0.664664  1
  C  C323  1  0.243327  0.795681  0.698720  1
  C  C324  1  0.743327  0.795681  0.698720  1
  C  C325  1  0.380951  0.313934  0.693866  1
  C  C326  1  0.880951  0.313934  0.693866  1
  C  C327  1  0.506751  0.595962  0.659025  1
  C  C328  1  0.006751  0.595962  0.659025  1
  C  C329  1  0.152822  0.051831  0.668112  1
  C  C330  1  0.652822  0.051831  0.668112  1
  C  C331  1  0.021280  0.769868  0.701641  1
  C  C332  1  0.521280  0.769868  0.701641  1
  C  C333  1  0.159709  0.293915  0.697830  1
  C  C334  1  0.659709  0.293915  0.697830  1
  C  C335  1  0.290160  0.569528  0.662084  1
  C  C336  1  0.790160  0.569528  0.662084  1
