# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.30452959
_cell_length_b   10.47075955
_cell_length_c   46.52456563
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.81212743
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe200 C80'
_cell_volume   4984.3883916
_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  0.134239  0.260658  0.344898  1
  Fe  Fe2  1  0.743865  0.275225  0.299354  1
  Fe  Fe3  1  0.634239  0.760658  0.344898  1
  Fe  Fe4  1  0.243865  0.775225  0.299354  1
  Fe  Fe5  1  0.835206  0.079918  0.291866  1
  Fe  Fe6  1  0.227584  0.073450  0.338696  1
  Fe  Fe7  1  0.335206  0.579918  0.291866  1
  Fe  Fe8  1  0.727584  0.573450  0.338696  1
  Fe  Fe9  1  0.807314  0.380358  0.343925  1
  Fe  Fe10  1  0.417060  0.392545  0.297916  1
  Fe  Fe11  1  0.307314  0.880358  0.343925  1
  Fe  Fe12  1  0.917060  0.892545  0.297916  1
  Fe  Fe13  1  0.173379  0.396238  0.295687  1
  Fe  Fe14  1  0.563505  0.381723  0.341278  1
  Fe  Fe15  1  0.673379  0.896238  0.295687  1
  Fe  Fe16  1  0.063505  0.881723  0.341278  1
  Fe  Fe17  1  0.795900  0.953509  0.342377  1
  Fe  Fe18  1  0.407876  0.965552  0.297286  1
  Fe  Fe19  1  0.295900  0.453509  0.342377  1
  Fe  Fe20  1  0.907876  0.465552  0.297286  1
  Fe  Fe21  1  0.971949  0.270521  0.308487  1
  Fe  Fe22  1  0.362063  0.259073  0.353941  1
  Fe  Fe23  1  0.471949  0.770521  0.308487  1
  Fe  Fe24  1  0.862063  0.759073  0.353941  1
  Fe  Fe25  1  0.183938  0.181793  0.288400  1
  Fe  Fe26  1  0.575865  0.169024  0.333556  1
  Fe  Fe27  1  0.683938  0.681793  0.288400  1
  Fe  Fe28  1  0.075865  0.669024  0.333556  1
  Fe  Fe29  1  0.997966  0.074524  0.329662  1
  Fe  Fe30  1  0.606564  0.093198  0.283940  1
  Fe  Fe31  1  0.497966  0.574524  0.329662  1
  Fe  Fe32  1  0.106564  0.593198  0.283940  1
  Fe  Fe33  1  0.162672  0.965213  0.294675  1
  Fe  Fe34  1  0.555164  0.953958  0.339322  1
  Fe  Fe35  1  0.662672  0.465213  0.294675  1
  Fe  Fe36  1  0.055164  0.453958  0.339322  1
  Fe  Fe37  1  0.785526  0.164090  0.350169  1
  Fe  Fe38  1  0.395339  0.177546  0.305038  1
  Fe  Fe39  1  0.285526  0.664090  0.350169  1
  Fe  Fe40  1  0.895339  0.677546  0.305038  1
  Fe  Fe41  1  0.914782  0.233650  0.435908  1
  Fe  Fe42  1  0.524306  0.247242  0.390466  1
  Fe  Fe43  1  0.414782  0.733650  0.435908  1
  Fe  Fe44  1  0.024306  0.747242  0.390466  1
  Fe  Fe45  1  0.617608  0.059027  0.383815  1
  Fe  Fe46  1  0.008247  0.045744  0.429383  1
  Fe  Fe47  1  0.117608  0.559027  0.383815  1
  Fe  Fe48  1  0.508247  0.545744  0.429383  1
  Fe  Fe49  1  0.587873  0.352925  0.434722  1
  Fe  Fe50  1  0.197396  0.366742  0.389203  1
  Fe  Fe51  1  0.087873  0.852925  0.434722  1
  Fe  Fe52  1  0.697396  0.866742  0.389203  1
  Fe  Fe53  1  0.955030  0.367772  0.386256  1
  Fe  Fe54  1  0.345231  0.354170  0.431746  1
  Fe  Fe55  1  0.455030  0.867772  0.386256  1
  Fe  Fe56  1  0.845231  0.854170  0.431746  1
  Fe  Fe57  1  0.577934  0.924936  0.433533  1
  Fe  Fe58  1  0.187450  0.938642  0.388085  1
  Fe  Fe59  1  0.077934  0.424936  0.433533  1
  Fe  Fe60  1  0.687450  0.438642  0.388085  1
  Fe  Fe61  1  0.753116  0.244947  0.399480  1
  Fe  Fe62  1  0.143221  0.231436  0.444921  1
  Fe  Fe63  1  0.253116  0.744947  0.399480  1
  Fe  Fe64  1  0.643221  0.731436  0.444921  1
  Fe  Fe65  1  0.965975  0.156396  0.378638  1
  Fe  Fe66  1  0.356767  0.142538  0.424013  1
  Fe  Fe67  1  0.465975  0.656396  0.378638  1
  Fe  Fe68  1  0.856767  0.642538  0.424013  1
  Fe  Fe69  1  0.779958  0.047724  0.420302  1
  Fe  Fe70  1  0.389099  0.061585  0.375025  1
  Fe  Fe71  1  0.279958  0.547724  0.420302  1
  Fe  Fe72  1  0.889099  0.561585  0.375025  1
  Fe  Fe73  1  0.944398  0.939900  0.385191  1
  Fe  Fe74  1  0.335143  0.926265  0.430566  1
  Fe  Fe75  1  0.444398  0.439900  0.385191  1
  Fe  Fe76  1  0.835143  0.426265  0.430566  1
  Fe  Fe77  1  0.566330  0.136789  0.441215  1
  Fe  Fe78  1  0.176063  0.150510  0.395774  1
  Fe  Fe79  1  0.066330  0.636789  0.441215  1
  Fe  Fe80  1  0.676063  0.650510  0.395774  1
  Fe  Fe81  1  0.695326  0.206117  0.526808  1
  Fe  Fe82  1  0.305038  0.219799  0.481361  1
  Fe  Fe83  1  0.195326  0.706117  0.526808  1
  Fe  Fe84  1  0.805038  0.719799  0.481361  1
  Fe  Fe85  1  0.398610  0.031940  0.474853  1
  Fe  Fe86  1  0.788898  0.018258  0.520300  1
  Fe  Fe87  1  0.898610  0.531940  0.474853  1
  Fe  Fe88  1  0.288898  0.518258  0.520300  1
  Fe  Fe89  1  0.368492  0.325572  0.525641  1
  Fe  Fe90  1  0.978214  0.339276  0.480192  1
  Fe  Fe91  1  0.868492  0.825572  0.525641  1
  Fe  Fe92  1  0.478214  0.839276  0.480192  1
  Fe  Fe93  1  0.735456  0.340469  0.477241  1
  Fe  Fe94  1  0.125925  0.326680  0.522701  1
  Fe  Fe95  1  0.235456  0.840469  0.477241  1
  Fe  Fe96  1  0.625925  0.826680  0.522701  1
  Fe  Fe97  1  0.358480  0.897588  0.524421  1
  Fe  Fe98  1  0.968011  0.911377  0.478960  1
  Fe  Fe99  1  0.858480  0.397588  0.524421  1
  Fe  Fe100  1  0.468011  0.411377  0.478960  1
  Fe  Fe101  1  0.533480  0.217741  0.490368  1
  Fe  Fe102  1  0.923922  0.204006  0.535815  1
  Fe  Fe103  1  0.033480  0.717741  0.490368  1
  Fe  Fe104  1  0.423922  0.704006  0.535815  1
  Fe  Fe105  1  0.746974  0.128698  0.469550  1
  Fe  Fe106  1  0.137343  0.115009  0.515008  1
  Fe  Fe107  1  0.246974  0.628698  0.469550  1
  Fe  Fe108  1  0.637343  0.615009  0.515008  1
  Fe  Fe109  1  0.560456  0.020316  0.511294  1
  Fe  Fe110  1  0.170014  0.034051  0.465847  1
  Fe  Fe111  1  0.060456  0.520316  0.511294  1
  Fe  Fe112  1  0.670014  0.534051  0.465847  1
  Fe  Fe113  1  0.725445  0.912485  0.476020  1
  Fe  Fe114  1  0.115723  0.898781  0.521469  1
  Fe  Fe115  1  0.225445  0.412485  0.476020  1
  Fe  Fe116  1  0.615723  0.398781  0.521469  1
  Fe  Fe117  1  0.346962  0.109359  0.532112  1
  Fe  Fe118  1  0.956593  0.123048  0.486654  1
  Fe  Fe119  1  0.846962  0.609359  0.532112  1
  Fe  Fe120  1  0.456593  0.623048  0.486654  1
  Fe  Fe121  1  0.476329  0.179030  0.617846  1
  Fe  Fe122  1  0.085689  0.192313  0.572279  1
  Fe  Fe123  1  0.976329  0.679030  0.617846  1
  Fe  Fe124  1  0.585689  0.692313  0.572279  1
  Fe  Fe125  1  0.179155  0.004407  0.565754  1
  Fe  Fe126  1  0.569630  0.990815  0.611196  1
  Fe  Fe127  1  0.679155  0.504407  0.565754  1
  Fe  Fe128  1  0.069630  0.490815  0.611196  1
  Fe  Fe129  1  0.149539  0.298157  0.616470  1
  Fe  Fe130  1  0.758794  0.311792  0.571096  1
  Fe  Fe131  1  0.649539  0.798157  0.616470  1
  Fe  Fe132  1  0.258794  0.811792  0.571096  1
  Fe  Fe133  1  0.516003  0.313121  0.568129  1
  Fe  Fe134  1  0.906487  0.299415  0.613576  1
  Fe  Fe135  1  0.016003  0.813121  0.568129  1
  Fe  Fe136  1  0.406487  0.799415  0.613576  1
  Fe  Fe137  1  0.138907  0.870285  0.615406  1
  Fe  Fe138  1  0.748705  0.883887  0.569916  1
  Fe  Fe139  1  0.638907  0.370285  0.615406  1
  Fe  Fe140  1  0.248705  0.383887  0.569916  1
  Fe  Fe141  1  0.313978  0.190333  0.581359  1
  Fe  Fe142  1  0.704837  0.176472  0.626637  1
  Fe  Fe143  1  0.813978  0.690333  0.581359  1
  Fe  Fe144  1  0.204837  0.676472  0.626637  1
  Fe  Fe145  1  0.527606  0.101268  0.560446  1
  Fe  Fe146  1  0.917874  0.087547  0.605888  1
  Fe  Fe147  1  0.027606  0.601268  0.560446  1
  Fe  Fe148  1  0.417874  0.587547  0.605888  1
  Fe  Fe149  1  0.340821  0.993110  0.602182  1
  Fe  Fe150  1  0.950715  0.006621  0.556741  1
  Fe  Fe151  1  0.840821  0.493110  0.602182  1
  Fe  Fe152  1  0.450715  0.506621  0.556741  1
  Fe  Fe153  1  0.506063  0.885132  0.566940  1
  Fe  Fe154  1  0.896540  0.871315  0.612458  1
  Fe  Fe155  1  0.006063  0.385132  0.566940  1
  Fe  Fe156  1  0.396540  0.371315  0.612458  1
  Fe  Fe157  1  0.127962  0.081661  0.623024  1
  Fe  Fe158  1  0.737170  0.095519  0.577649  1
  Fe  Fe159  1  0.627962  0.581661  0.623024  1
  Fe  Fe160  1  0.237170  0.595519  0.577649  1
  Fe  Fe161  1  0.258730  0.158139  0.709795  1
  Fe  Fe162  1  0.866353  0.164607  0.662966  1
  Fe  Fe163  1  0.758730  0.658139  0.709795  1
  Fe  Fe164  1  0.366353  0.664607  0.662966  1
  Fe  Fe165  1  0.959698  0.977399  0.656764  1
  Fe  Fe166  1  0.350071  0.962832  0.702308  1
  Fe  Fe167  1  0.459698  0.477399  0.656764  1
  Fe  Fe168  1  0.850071  0.462832  0.702308  1
  Fe  Fe169  1  0.931264  0.272844  0.706987  1
  Fe  Fe170  1  0.538772  0.284100  0.662340  1
  Fe  Fe171  1  0.431264  0.772844  0.706987  1
  Fe  Fe172  1  0.038772  0.784100  0.662340  1
  Fe  Fe173  1  0.298036  0.284548  0.659285  1
  Fe  Fe174  1  0.686060  0.272505  0.704376  1
  Fe  Fe175  1  0.798036  0.784548  0.659285  1
  Fe  Fe176  1  0.186060  0.772505  0.704376  1
  Fe  Fe177  1  0.920558  0.841819  0.705974  1
  Fe  Fe178  1  0.530431  0.856334  0.660383  1
  Fe  Fe179  1  0.420558  0.341819  0.705974  1
  Fe  Fe180  1  0.030431  0.356334  0.660383  1
  Fe  Fe181  1  0.095971  0.163533  0.672000  1
  Fe  Fe182  1  0.487372  0.144859  0.717721  1
  Fe  Fe183  1  0.595971  0.663533  0.672000  1
  Fe  Fe184  1  0.987372  0.644859  0.717721  1
  Fe  Fe185  1  0.308411  0.073967  0.651493  1
  Fe  Fe186  1  0.698597  0.060511  0.696624  1
  Fe  Fe187  1  0.808411  0.573967  0.651493  1
  Fe  Fe188  1  0.198597  0.560511  0.696624  1
  Fe  Fe189  1  0.121987  0.967536  0.693175  1
  Fe  Fe190  1  0.731873  0.978984  0.647720  1
  Fe  Fe191  1  0.621987  0.467536  0.693175  1
  Fe  Fe192  1  0.231873  0.478984  0.647720  1
  Fe  Fe193  1  0.286623  0.857699  0.657737  1
  Fe  Fe194  1  0.676877  0.845512  0.703745  1
  Fe  Fe195  1  0.786623  0.357699  0.657737  1
  Fe  Fe196  1  0.176877  0.345512  0.703745  1
  Fe  Fe197  1  0.909998  0.056264  0.713261  1
  Fe  Fe198  1  0.518071  0.069033  0.668106  1
  Fe  Fe199  1  0.409998  0.556264  0.713261  1
  Fe  Fe200  1  0.018071  0.569033  0.668106  1
  C  C201  1  0.953212  0.284338  0.349433  1
  C  C202  1  0.562928  0.297744  0.304546  1
  C  C203  1  0.453212  0.784338  0.349433  1
  C  C204  1  0.062928  0.797744  0.304546  1
  C  C205  1  0.301956  0.066444  0.274609  1
  C  C206  1  0.693582  0.055128  0.318942  1
  C  C207  1  0.801956  0.566444  0.274609  1
  C  C208  1  0.193582  0.555128  0.318942  1
  C  C209  1  0.667876  0.279651  0.364062  1
  C  C210  1  0.277516  0.293863  0.318438  1
  C  C211  1  0.167876  0.779651  0.364062  1
  C  C212  1  0.777516  0.793863  0.318438  1
  C  C213  1  0.018347  0.062848  0.288733  1
  C  C214  1  0.408383  0.049041  0.334080  1
  C  C215  1  0.518347  0.562848  0.288733  1
  C  C216  1  0.908383  0.549041  0.334080  1
  C  C217  1  0.733641  0.256912  0.440436  1
  C  C218  1  0.343202  0.270798  0.394916  1
  C  C219  1  0.233641  0.756912  0.440436  1
  C  C220  1  0.843202  0.770798  0.394916  1
  C  C221  1  0.083866  0.040482  0.365039  1
  C  C222  1  0.474666  0.026671  0.410387  1
  C  C223  1  0.583866  0.540482  0.365039  1
  C  C224  1  0.974666  0.526671  0.410387  1
  C  C225  1  0.448445  0.252492  0.454923  1
  C  C226  1  0.058228  0.266263  0.409476  1
  C  C227  1  0.948445  0.752492  0.454923  1
  C  C228  1  0.558228  0.766263  0.409476  1
  C  C229  1  0.798809  0.035992  0.379322  1
  C  C230  1  0.189345  0.022266  0.424884  1
  C  C231  1  0.298809  0.535992  0.379322  1
  C  C232  1  0.689345  0.522266  0.424884  1
  C  C233  1  0.514210  0.229479  0.531334  1
  C  C234  1  0.123930  0.243180  0.485887  1
  C  C235  1  0.014210  0.729479  0.531334  1
  C  C236  1  0.623930  0.743180  0.485887  1
  C  C237  1  0.864717  0.012983  0.455784  1
  C  C238  1  0.255141  -0.000729  0.501277  1
  C  C239  1  0.364717  0.512983  0.455784  1
  C  C240  1  0.755141  0.499271  0.501277  1
  C  C241  1  0.229219  0.225074  0.545878  1
  C  C242  1  0.838795  0.238786  0.500385  1
  C  C243  1  0.729219  0.725074  0.545878  1
  C  C244  1  0.338795  0.738786  0.500385  1
  C  C245  1  0.579726  0.008578  0.470328  1
  C  C246  1  0.970006  0.994877  0.515775  1
  C  C247  1  0.079726  0.508578  0.470328  1
  C  C248  1  0.470006  0.494877  0.515775  1
  C  C249  1  0.295127  0.202065  0.622340  1
  C  C250  1  0.904591  0.215791  0.576777  1
  C  C251  1  0.795127  0.702065  0.622340  1
  C  C252  1  0.404591  0.715791  0.576777  1
  C  C253  1  0.645491  0.985565  0.546738  1
  C  C254  1  0.035708  0.971794  0.592186  1
  C  C255  1  0.145491  0.485565  0.546738  1
  C  C256  1  0.535708  0.471794  0.592186  1
  C  C257  1  0.010071  0.197575  0.636622  1
  C  C258  1  0.619271  0.211386  0.591274  1
  C  C259  1  0.510071  0.697575  0.636622  1
  C  C260  1  0.119271  0.711386  0.591274  1
  C  C261  1  0.360295  0.981145  0.561226  1
  C  C262  1  0.750735  0.967259  0.606745  1
  C  C263  1  0.860295  0.481145  0.561226  1
  C  C264  1  0.250735  0.467259  0.606745  1
  C  C265  1  0.075589  0.175209  0.712929  1
  C  C266  1  0.685553  0.189016  0.667582  1
  C  C267  1  0.575589  0.675209  0.712929  1
  C  C268  1  0.185553  0.689016  0.667582  1
  C  C269  1  0.426060  0.958406  0.637600  1
  C  C270  1  0.816420  0.944194  0.683224  1
  C  C271  1  0.926060  0.458406  0.637600  1
  C  C272  1  0.316420  0.444194  0.683224  1
  C  C273  1  0.791980  0.171613  0.727053  1
  C  C274  1  0.400354  0.182929  0.682719  1
  C  C275  1  0.291980  0.671613  0.727053  1
  C  C276  1  0.900354  0.682929  0.682719  1
  C  C277  1  0.140724  0.953719  0.652229  1
  C  C278  1  0.531008  0.940313  0.697116  1
  C  C279  1  0.640724  0.453719  0.652229  1
  C  C280  1  0.031008  0.440313  0.697116  1
