# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.61507968
_cell_length_b   11.81923138
_cell_length_c   48.37910945
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.24965722
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe240 C96'
_cell_volume   5882.99227635
_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  0.325794  0.779252  0.307503  1
  Fe  Fe2  1  0.213447  0.195827  0.269357  1
  Fe  Fe3  1  0.713447  0.695827  0.269357  1
  Fe  Fe4  1  0.825794  0.279252  0.307503  1
  Fe  Fe5  1  0.991310  0.964178  0.306502  1
  Fe  Fe6  1  0.106172  0.540335  0.345356  1
  Fe  Fe7  1  0.606172  0.040335  0.345356  1
  Fe  Fe8  1  0.491310  0.464178  0.306502  1
  Fe  Fe9  1  0.105908  0.655849  0.307726  1
  Fe  Fe10  1  0.996060  0.081871  0.268620  1
  Fe  Fe11  1  0.496060  0.581871  0.268620  1
  Fe  Fe12  1  0.605908  0.155849  0.307726  1
  Fe  Fe13  1  0.910403  0.598659  0.277493  1
  Fe  Fe14  1  0.024540  0.173624  0.316291  1
  Fe  Fe15  1  0.524540  0.673624  0.316291  1
  Fe  Fe16  1  0.410403  0.098659  0.277493  1
  Fe  Fe17  1  0.407155  0.143878  0.337257  1
  Fe  Fe18  1  0.291475  0.569618  0.298969  1
  Fe  Fe19  1  0.791475  0.069618  0.298969  1
  Fe  Fe20  1  0.907155  0.643878  0.337257  1
  Fe  Fe21  1  0.496505  0.840185  0.340891  1
  Fe  Fe22  1  0.383260  0.265195  0.302165  1
  Fe  Fe23  1  0.883260  0.765195  0.302165  1
  Fe  Fe24  1  0.996505  0.340185  0.340891  1
  Fe  Fe25  1  0.203210  0.910995  0.327627  1
  Fe  Fe26  1  0.087168  0.334191  0.288827  1
  Fe  Fe27  1  0.587168  0.834191  0.288827  1
  Fe  Fe28  1  0.703210  0.410995  0.327627  1
  Fe  Fe29  1  0.815008  0.900424  0.273128  1
  Fe  Fe30  1  0.932594  0.473168  0.312642  1
  Fe  Fe31  1  0.432594  0.973168  0.312642  1
  Fe  Fe32  1  0.315008  0.400424  0.273128  1
  Fe  Fe33  1  0.206457  0.083622  0.307095  1
  Fe  Fe34  1  0.322431  0.660346  0.345531  1
  Fe  Fe35  1  0.822431  0.160346  0.345531  1
  Fe  Fe36  1  0.706457  0.583622  0.307095  1
  Fe  Fe37  1  0.112374  0.834538  0.286866  1
  Fe  Fe38  1  0.228499  0.405693  0.325458  1
  Fe  Fe39  1  0.728499  0.905693  0.325458  1
  Fe  Fe40  1  0.612374  0.334538  0.286866  1
  Fe  Fe41  1  0.551753  0.928450  0.384931  1
  Fe  Fe42  1  0.437911  0.352624  0.346301  1
  Fe  Fe43  1  0.937911  0.852624  0.346301  1
  Fe  Fe44  1  0.051753  0.428450  0.384931  1
  Fe  Fe45  1  0.220389  0.117369  0.383600  1
  Fe  Fe46  1  0.334251  0.693739  0.422125  1
  Fe  Fe47  1  0.834251  0.193739  0.422125  1
  Fe  Fe48  1  0.720389  0.617369  0.383600  1
  Fe  Fe49  1  0.334183  0.809187  0.384470  1
  Fe  Fe50  1  0.219808  0.233003  0.345530  1
  Fe  Fe51  1  0.719808  0.733003  0.345530  1
  Fe  Fe52  1  0.834183  0.309187  0.384470  1
  Fe  Fe53  1  0.136241  0.749825  0.354387  1
  Fe  Fe54  1  0.250656  0.326316  0.392989  1
  Fe  Fe55  1  0.750656  0.826316  0.392989  1
  Fe  Fe56  1  0.636241  0.249825  0.354387  1
  Fe  Fe57  1  0.635388  0.296125  0.414165  1
  Fe  Fe58  1  0.521397  0.719410  0.375624  1
  Fe  Fe59  1  0.021397  0.219410  0.375624  1
  Fe  Fe60  1  0.135388  0.796125  0.414165  1
  Fe  Fe61  1  0.724510  0.994231  0.417678  1
  Fe  Fe62  1  0.610540  0.417627  0.379152  1
  Fe  Fe63  1  0.110540  0.917627  0.379152  1
  Fe  Fe64  1  0.224510  0.494231  0.417678  1
  Fe  Fe65  1  0.430267  0.063533  0.404693  1
  Fe  Fe66  1  0.317016  0.487347  0.365979  1
  Fe  Fe67  1  0.817016  0.987347  0.365979  1
  Fe  Fe68  1  0.930267  0.563533  0.404693  1
  Fe  Fe69  1  0.047046  0.051099  0.350733  1
  Fe  Fe70  1  0.161314  0.628255  0.389353  1
  Fe  Fe71  1  0.661314  0.128255  0.389353  1
  Fe  Fe72  1  0.547046  0.551099  0.350733  1
  Fe  Fe73  1  0.437166  0.237022  0.383978  1
  Fe  Fe74  1  0.551358  0.813208  0.422504  1
  Fe  Fe75  1  0.051358  0.313208  0.422504  1
  Fe  Fe76  1  0.937166  0.737022  0.383978  1
  Fe  Fe77  1  0.341305  0.982080  0.363895  1
  Fe  Fe78  1  0.455297  0.558782  0.402443  1
  Fe  Fe79  1  0.955297  0.058782  0.402443  1
  Fe  Fe80  1  0.841305  0.482080  0.363895  1
  Fe  Fe81  1  0.779520  0.081640  0.462000  1
  Fe  Fe82  1  0.665574  0.505147  0.423461  1
  Fe  Fe83  1  0.165574  0.005147  0.423461  1
  Fe  Fe84  1  0.279520  0.581640  0.462000  1
  Fe  Fe85  1  0.448107  0.270199  0.460604  1
  Fe  Fe86  1  0.562042  0.846647  0.499144  1
  Fe  Fe87  1  0.062042  0.346647  0.499144  1
  Fe  Fe88  1  0.948107  0.770199  0.460604  1
  Fe  Fe89  1  0.562232  0.962198  0.461564  1
  Fe  Fe90  1  0.448239  0.385784  0.422996  1
  Fe  Fe91  1  0.948239  0.885784  0.422996  1
  Fe  Fe92  1  0.062232  0.462198  0.461564  1
  Fe  Fe93  1  0.364442  0.902803  0.431406  1
  Fe  Fe94  1  0.478356  0.479326  0.469943  1
  Fe  Fe95  1  0.978356  0.979326  0.469943  1
  Fe  Fe96  1  0.864442  0.402803  0.431406  1
  Fe  Fe97  1  0.863230  0.448976  0.491212  1
  Fe  Fe98  1  0.749293  0.872525  0.452682  1
  Fe  Fe99  1  0.249293  0.372525  0.452682  1
  Fe  Fe100  1  0.363230  0.948976  0.491212  1
  Fe  Fe101  1  0.952327  0.147168  0.494715  1
  Fe  Fe102  1  0.838406  0.570674  0.456180  1
  Fe  Fe103  1  0.338406  0.070674  0.456180  1
  Fe  Fe104  1  0.452327  0.647168  0.494715  1
  Fe  Fe105  1  0.658436  0.216489  0.481650  1
  Fe  Fe106  1  0.544556  0.640048  0.443117  1
  Fe  Fe107  1  0.044556  0.140048  0.443117  1
  Fe  Fe108  1  0.158436  0.716489  0.481650  1
  Fe  Fe109  1  0.275307  0.204600  0.427906  1
  Fe  Fe110  1  0.389241  0.781137  0.466428  1
  Fe  Fe111  1  0.889241  0.281137  0.466428  1
  Fe  Fe112  1  0.775307  0.704600  0.427906  1
  Fe  Fe113  1  0.665297  0.389669  0.461025  1
  Fe  Fe114  1  0.779295  0.966100  0.499557  1
  Fe  Fe115  1  0.279295  0.466100  0.499557  1
  Fe  Fe116  1  0.165297  0.889669  0.461025  1
  Fe  Fe117  1  0.569149  0.135336  0.440966  1
  Fe  Fe118  1  0.683096  0.711782  0.479502  1
  Fe  Fe119  1  0.183096  0.211782  0.479502  1
  Fe  Fe120  1  0.069149  0.635336  0.440966  1
  Fe  Fe121  1  0.007382  0.234558  0.539063  1
  Fe  Fe122  1  0.893447  0.658110  0.500523  1
  Fe  Fe123  1  0.393447  0.158110  0.500523  1
  Fe  Fe124  1  0.507382  0.734558  0.539063  1
  Fe  Fe125  1  0.675969  0.423117  0.537667  1
  Fe  Fe126  1  0.789915  0.999610  0.576206  1
  Fe  Fe127  1  0.289915  0.499610  0.576206  1
  Fe  Fe128  1  0.175969  0.923117  0.537667  1
  Fe  Fe129  1  0.790192  0.115088  0.538642  1
  Fe  Fe130  1  0.676194  0.538657  0.500110  1
  Fe  Fe131  1  0.176194  0.038657  0.500110  1
  Fe  Fe132  1  0.290192  0.615088  0.538642  1
  Fe  Fe133  1  0.592258  0.055781  0.508455  1
  Fe  Fe134  1  0.706196  0.632232  0.546985  1
  Fe  Fe135  1  0.206196  0.132232  0.546985  1
  Fe  Fe136  1  0.092258  0.555781  0.508455  1
  Fe  Fe137  1  0.091047  0.601954  0.568261  1
  Fe  Fe138  1  0.977133  0.025431  0.529724  1
  Fe  Fe139  1  0.477133  0.525431  0.529724  1
  Fe  Fe140  1  0.591047  0.101954  0.568261  1
  Fe  Fe141  1  0.180182  0.300157  0.571761  1
  Fe  Fe142  1  0.066248  0.723620  0.533239  1
  Fe  Fe143  1  0.566248  0.223620  0.533239  1
  Fe  Fe144  1  0.680182  0.800157  0.571761  1
  Fe  Fe145  1  0.886340  0.369421  0.558701  1
  Fe  Fe146  1  0.772392  0.792975  0.520165  1
  Fe  Fe147  1  0.272392  0.292975  0.520165  1
  Fe  Fe148  1  0.386340  0.869421  0.558701  1
  Fe  Fe149  1  0.503162  0.357588  0.504952  1
  Fe  Fe150  1  0.617083  0.934083  0.543487  1
  Fe  Fe151  1  0.117083  0.434083  0.543487  1
  Fe  Fe152  1  0.003162  0.857588  0.504952  1
  Fe  Fe153  1  0.893256  0.542559  0.538103  1
  Fe  Fe154  1  0.007250  0.118973  0.576671  1
  Fe  Fe155  1  0.507250  0.618973  0.576671  1
  Fe  Fe156  1  0.393256  0.042559  0.538103  1
  Fe  Fe157  1  0.797053  0.288267  0.518017  1
  Fe  Fe158  1  0.910933  0.864709  0.556550  1
  Fe  Fe159  1  0.410933  0.364709  0.556550  1
  Fe  Fe160  1  0.297053  0.788267  0.518017  1
  Fe  Fe161  1  0.235100  0.387387  0.616067  1
  Fe  Fe162  1  0.121238  0.811018  0.577542  1
  Fe  Fe163  1  0.621238  0.311018  0.577542  1
  Fe  Fe164  1  0.735100  0.887387  0.616067  1
  Fe  Fe165  1  0.903736  0.576306  0.614736  1
  Fe  Fe166  1  0.017577  0.152133  0.653366  1
  Fe  Fe167  1  0.517577  0.652133  0.653366  1
  Fe  Fe168  1  0.403736  0.076306  0.614736  1
  Fe  Fe169  1  0.018323  0.267735  0.615688  1
  Fe  Fe170  1  0.904131  0.691549  0.577163  1
  Fe  Fe171  1  0.404131  0.191549  0.577163  1
  Fe  Fe172  1  0.518323  0.767735  0.615688  1
  Fe  Fe173  1  0.820101  0.208632  0.585501  1
  Fe  Fe174  1  0.934092  0.785347  0.624043  1
  Fe  Fe175  1  0.434092  0.285347  0.624043  1
  Fe  Fe176  1  0.320101  0.708632  0.585501  1
  Fe  Fe177  1  0.319247  0.754932  0.645280  1
  Fe  Fe178  1  0.204833  0.178441  0.606678  1
  Fe  Fe179  1  0.704833  0.678441  0.606678  1
  Fe  Fe180  1  0.819247  0.254932  0.645280  1
  Fe  Fe181  1  0.408443  0.453658  0.648934  1
  Fe  Fe182  1  0.294175  0.876502  0.610314  1
  Fe  Fe183  1  0.794175  0.376502  0.610314  1
  Fe  Fe184  1  0.908443  0.953658  0.648934  1
  Fe  Fe185  1  0.114184  0.522676  0.635772  1
  Fe  Fe186  1  0.000192  0.945975  0.597224  1
  Fe  Fe187  1  0.500192  0.445975  0.597224  1
  Fe  Fe188  1  0.614184  0.022676  0.635772  1
  Fe  Fe189  1  0.730979  0.510525  0.581989  1
  Fe  Fe190  1  0.844949  0.087129  0.620515  1
  Fe  Fe191  1  0.344949  0.587129  0.620515  1
  Fe  Fe192  1  0.230979  0.010525  0.581989  1
  Fe  Fe193  1  0.121306  0.695570  0.615197  1
  Fe  Fe194  1  0.235681  0.271754  0.654136  1
  Fe  Fe195  1  0.735681  0.771754  0.654136  1
  Fe  Fe196  1  0.621306  0.195570  0.615197  1
  Fe  Fe197  1  0.025221  0.441224  0.594974  1
  Fe  Fe198  1  0.138473  0.017410  0.633688  1
  Fe  Fe199  1  0.638473  0.517410  0.633688  1
  Fe  Fe200  1  0.525221  0.941224  0.594974  1
  Fe  Fe201  1  0.464178  0.540578  0.693165  1
  Fe  Fe202  1  0.349317  0.964422  0.654311  1
  Fe  Fe203  1  0.849317  0.464422  0.654311  1
  Fe  Fe204  1  0.964178  0.040578  0.693165  1
  Fe  Fe205  1  0.129695  0.725504  0.692164  1
  Fe  Fe206  1  0.242042  0.308930  0.730310  1
  Fe  Fe207  1  0.742042  0.808930  0.730310  1
  Fe  Fe208  1  0.629695  0.225504  0.692164  1
  Fe  Fe209  1  0.249031  0.421135  0.692571  1
  Fe  Fe210  1  0.133058  0.844410  0.654136  1
  Fe  Fe211  1  0.633058  0.344410  0.654136  1
  Fe  Fe212  1  0.749031  0.921135  0.692571  1
  Fe  Fe213  1  0.048334  0.360879  0.662410  1
  Fe  Fe214  1  0.164013  0.935139  0.700697  1
  Fe  Fe215  1  0.664013  0.435139  0.700697  1
  Fe  Fe216  1  0.548334  0.860879  0.662410  1
  Fe  Fe217  1  0.545086  0.906097  0.722174  1
  Fe  Fe218  1  0.430949  0.331133  0.683376  1
  Fe  Fe219  1  0.930949  0.831133  0.683376  1
  Fe  Fe220  1  0.045086  0.406097  0.722174  1
  Fe  Fe221  1  0.640481  0.604333  0.726539  1
  Fe  Fe222  1  0.522895  0.031589  0.687025  1
  Fe  Fe223  1  0.022895  0.531589  0.687025  1
  Fe  Fe224  1  0.140481  0.104333  0.726539  1
  Fe  Fe225  1  0.343115  0.670219  0.712801  1
  Fe  Fe226  1  0.226990  0.099064  0.674209  1
  Fe  Fe227  1  0.726990  0.599064  0.674209  1
  Fe  Fe228  1  0.843115  0.170219  0.712801  1
  Fe  Fe229  1  0.958984  0.664572  0.658776  1
  Fe  Fe230  1  0.072229  0.239562  0.697502  1
  Fe  Fe231  1  0.572229  0.739562  0.697502  1
  Fe  Fe232  1  0.458984  0.164572  0.658776  1
  Fe  Fe233  1  0.349581  0.848908  0.691941  1
  Fe  Fe234  1  0.459429  0.422886  0.731047  1
  Fe  Fe235  1  0.959429  0.922886  0.731047  1
  Fe  Fe236  1  0.849581  0.348908  0.691941  1
  Fe  Fe237  1  0.252279  0.593761  0.672040  1
  Fe  Fe238  1  0.368321  0.170566  0.710840  1
  Fe  Fe239  1  0.868321  0.670566  0.710840  1
  Fe  Fe240  1  0.752279  0.093761  0.672040  1
  C  C241  1  0.313235  0.825476  0.345311  1
  C  C242  1  0.199971  0.250992  0.306374  1
  C  C243  1  0.699971  0.750992  0.306374  1
  C  C244  1  0.813235  0.325476  0.345311  1
  C  C245  1  0.275412  0.961147  0.291910  1
  C  C246  1  0.388772  0.536621  0.330181  1
  C  C247  1  0.888772  0.036621  0.330181  1
  C  C248  1  0.775412  0.461147  0.291910  1
  C  C249  1  0.042144  0.781958  0.322585  1
  C  C250  1  0.928273  0.203422  0.284629  1
  C  C251  1  0.428273  0.703422  0.284629  1
  C  C252  1  0.542144  0.281958  0.322585  1
  C  C253  1  0.998228  0.914689  0.268818  1
  C  C254  1  0.115854  0.488937  0.307909  1
  C  C255  1  0.615854  0.988937  0.307909  1
  C  C256  1  0.498228  0.414689  0.268818  1
  C  C257  1  0.541350  0.979184  0.422428  1
  C  C258  1  0.427371  0.402664  0.383854  1
  C  C259  1  0.927371  0.902664  0.383854  1
  C  C260  1  0.041350  0.479184  0.422428  1
  C  C261  1  0.502547  0.112220  0.368911  1
  C  C262  1  0.616928  0.688681  0.407335  1
  C  C263  1  0.116928  0.188681  0.407335  1
  C  C264  1  0.002547  0.612220  0.368911  1
  C  C265  1  0.268999  0.933823  0.399704  1
  C  C266  1  0.155693  0.357412  0.361228  1
  C  C267  1  0.655693  0.857412  0.361228  1
  C  C268  1  0.768999  0.433823  0.399704  1
  C  C269  1  0.230386  0.066479  0.346116  1
  C  C270  1  0.344471  0.643139  0.384617  1
  C  C271  1  0.844471  0.143139  0.384617  1
  C  C272  1  0.730386  0.566479  0.346116  1
  C  C273  1  0.769204  0.132179  0.499514  1
  C  C274  1  0.655282  0.555686  0.460977  1
  C  C275  1  0.155282  0.055686  0.460977  1
  C  C276  1  0.269204  0.632179  0.499514  1
  C  C277  1  0.730819  0.265092  0.445868  1
  C  C278  1  0.844774  0.841532  0.484379  1
  C  C279  1  0.344774  0.341532  0.484379  1
  C  C280  1  0.230819  0.765092  0.445868  1
  C  C281  1  0.496795  0.086768  0.476753  1
  C  C282  1  0.382941  0.510344  0.438237  1
  C  C283  1  0.882941  0.010344  0.438237  1
  C  C284  1  0.996795  0.586768  0.476753  1
  C  C285  1  0.458442  0.219678  0.423090  1
  C  C286  1  0.572363  0.796108  0.461631  1
  C  C287  1  0.072363  0.296108  0.461631  1
  C  C288  1  0.958442  0.719678  0.423090  1
  C  C289  1  0.997047  0.285079  0.576576  1
  C  C290  1  0.883126  0.708649  0.538036  1
  C  C291  1  0.383126  0.208649  0.538036  1
  C  C292  1  0.497047  0.785079  0.576576  1
  C  C293  1  0.958694  0.417989  0.522913  1
  C  C294  1  0.072548  0.994413  0.561430  1
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  C  C296  1  0.458694  0.917989  0.522913  1
  C  C297  1  0.724670  0.239664  0.553799  1
  C  C298  1  0.610715  0.663225  0.515287  1
  C  C299  1  0.110715  0.163225  0.515287  1
  C  C300  1  0.224670  0.739664  0.553799  1
  C  C301  1  0.686285  0.372578  0.500153  1
  C  C302  1  0.800206  0.949071  0.538690  1
  C  C303  1  0.300206  0.449071  0.538690  1
  C  C304  1  0.186285  0.872578  0.500153  1
  C  C305  1  0.225103  0.438278  0.653551  1
  C  C306  1  0.111018  0.861618  0.615050  1
  C  C307  1  0.611018  0.361618  0.615050  1
  C  C308  1  0.725103  0.938278  0.653551  1
  C  C309  1  0.186490  0.570934  0.599963  1
  C  C310  1  0.299796  0.147345  0.638439  1
  C  C311  1  0.799796  0.647345  0.638439  1
  C  C312  1  0.686490  0.070934  0.599963  1
  C  C313  1  0.952942  0.392536  0.630756  1
  C  C314  1  0.838560  0.816075  0.592332  1
  C  C315  1  0.338560  0.316075  0.592332  1
  C  C316  1  0.452942  0.892536  0.630756  1
  C  C317  1  0.914139  0.525572  0.577239  1
  C  C318  1  0.028118  0.102092  0.615813  1
  C  C319  1  0.528118  0.602092  0.615813  1
  C  C320  1  0.414139  0.025572  0.577239  1
  C  C321  1  0.457261  0.590067  0.730849  1
  C  C322  1  0.339635  0.015820  0.691758  1
  C  C323  1  0.839635  0.515820  0.691758  1
  C  C324  1  0.957261  0.090067  0.730849  1
  C  C325  1  0.413345  0.722799  0.677082  1
  C  C326  1  0.527216  0.301335  0.715038  1
  C  C327  1  0.027216  0.801335  0.715038  1
  C  C328  1  0.913345  0.222799  0.677082  1
  C  C329  1  0.180076  0.543610  0.707756  1
  C  C330  1  0.066716  0.968136  0.669486  1
  C  C331  1  0.566716  0.468136  0.669486  1
  C  C332  1  0.680076  0.043610  0.707756  1
  C  C333  1  0.142254  0.679281  0.654356  1
  C  C334  1  0.255518  0.253765  0.693293  1
  C  C335  1  0.755518  0.753765  0.693293  1
  C  C336  1  0.642254  0.179281  0.654356  1
