# generated using pymatgen
data_Fe255C64
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.26308715
_cell_length_b   15.26308715
_cell_length_c   15.26308715
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe255C64
_chemical_formula_sum   'Fe255 C64'
_cell_volume   3555.71670409
_cell_formula_units_Z   1
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  0.057262  0.057262  0.307174  1
  Fe  Fe2  1  0.057376  0.057376  0.557371  1
  Fe  Fe3  1  0.057554  0.057554  0.807253  1
  Fe  Fe4  1  0.057262  0.307174  0.057262  1
  Fe  Fe5  1  0.057183  0.307054  0.307054  1
  Fe  Fe6  1  0.057368  0.307401  0.557217  1
  Fe  Fe7  1  0.057381  0.307576  0.807303  1
  Fe  Fe8  1  0.057376  0.557371  0.057376  1
  Fe  Fe9  1  0.057368  0.557217  0.307401  1
  Fe  Fe10  1  0.057336  0.557361  0.557361  1
  Fe  Fe11  1  0.057345  0.557450  0.807330  1
  Fe  Fe12  1  0.057554  0.807253  0.057554  1
  Fe  Fe13  1  0.057381  0.807303  0.307576  1
  Fe  Fe14  1  0.057345  0.807330  0.557450  1
  Fe  Fe15  1  0.057465  0.807466  0.807466  1
  Fe  Fe16  1  0.307174  0.057262  0.057262  1
  Fe  Fe17  1  0.307054  0.057183  0.307054  1
  Fe  Fe18  1  0.307401  0.057368  0.557217  1
  Fe  Fe19  1  0.307576  0.057381  0.807303  1
  Fe  Fe20  1  0.307054  0.307054  0.057183  1
  Fe  Fe21  1  0.307170  0.307170  0.307170  1
  Fe  Fe22  1  0.307340  0.307340  0.557272  1
  Fe  Fe23  1  0.307405  0.307405  0.807267  1
  Fe  Fe24  1  0.307401  0.557217  0.057368  1
  Fe  Fe25  1  0.307340  0.557272  0.307340  1
  Fe  Fe26  1  0.307354  0.557342  0.557342  1
  Fe  Fe27  1  0.307382  0.557388  0.807354  1
  Fe  Fe28  1  0.307576  0.807303  0.057381  1
  Fe  Fe29  1  0.307405  0.807267  0.307405  1
  Fe  Fe30  1  0.307382  0.807354  0.557388  1
  Fe  Fe31  1  0.307203  0.807423  0.807423  1
  Fe  Fe32  1  0.557371  0.057376  0.057376  1
  Fe  Fe33  1  0.557217  0.057368  0.307401  1
  Fe  Fe34  1  0.557361  0.057336  0.557361  1
  Fe  Fe35  1  0.557450  0.057345  0.807330  1
  Fe  Fe36  1  0.557217  0.307401  0.057368  1
  Fe  Fe37  1  0.557272  0.307340  0.307340  1
  Fe  Fe38  1  0.557342  0.307354  0.557342  1
  Fe  Fe39  1  0.557388  0.307382  0.807354  1
  Fe  Fe40  1  0.557361  0.557361  0.057336  1
  Fe  Fe41  1  0.557342  0.557342  0.307354  1
  Fe  Fe42  1  0.557385  0.557385  0.557385  1
  Fe  Fe43  1  0.557416  0.557416  0.807413  1
  Fe  Fe44  1  0.557450  0.807330  0.057345  1
  Fe  Fe45  1  0.557388  0.807354  0.307382  1
  Fe  Fe46  1  0.557416  0.807413  0.557416  1
  Fe  Fe47  1  0.557438  0.807413  0.807413  1
  Fe  Fe48  1  0.807253  0.057554  0.057554  1
  Fe  Fe49  1  0.807303  0.057381  0.307576  1
  Fe  Fe50  1  0.807330  0.057345  0.557450  1
  Fe  Fe51  1  0.807466  0.057465  0.807466  1
  Fe  Fe52  1  0.807303  0.307576  0.057381  1
  Fe  Fe53  1  0.807267  0.307405  0.307405  1
  Fe  Fe54  1  0.807354  0.307382  0.557388  1
  Fe  Fe55  1  0.807423  0.307203  0.807423  1
  Fe  Fe56  1  0.807330  0.557450  0.057345  1
  Fe  Fe57  1  0.807354  0.557388  0.307382  1
  Fe  Fe58  1  0.807413  0.557416  0.557416  1
  Fe  Fe59  1  0.807413  0.557438  0.807413  1
  Fe  Fe60  1  0.807466  0.807466  0.057465  1
  Fe  Fe61  1  0.807423  0.807423  0.307203  1
  Fe  Fe62  1  0.807413  0.807413  0.557438  1
  Fe  Fe63  1  0.807809  0.807809  0.807809  1
  Fe  Fe64  1  0.191827  0.058385  0.191827  1
  Fe  Fe65  1  0.192600  0.057329  0.442686  1
  Fe  Fe66  1  0.192802  0.057355  0.692587  1
  Fe  Fe67  1  0.193266  0.057219  0.941766  1
  Fe  Fe68  1  0.191932  0.305911  0.191932  1
  Fe  Fe69  1  0.192631  0.307162  0.442597  1
  Fe  Fe70  1  0.192736  0.307430  0.692640  1
  Fe  Fe71  1  0.192667  0.307410  0.942711  1
  Fe  Fe72  1  0.192724  0.557204  0.192724  1
  Fe  Fe73  1  0.192664  0.557081  0.442650  1
  Fe  Fe74  1  0.192746  0.557353  0.692714  1
  Fe  Fe75  1  0.192757  0.557446  0.942739  1
  Fe  Fe76  1  0.193013  0.807115  0.193013  1
  Fe  Fe77  1  0.192794  0.807229  0.442822  1
  Fe  Fe78  1  0.192673  0.807408  0.692887  1
  Fe  Fe79  1  0.192649  0.807496  0.942689  1
  Fe  Fe80  1  0.442686  0.057329  0.192600  1
  Fe  Fe81  1  0.442441  0.057537  0.442441  1
  Fe  Fe82  1  0.442726  0.057378  0.692648  1
  Fe  Fe83  1  0.442770  0.057335  0.942657  1
  Fe  Fe84  1  0.442597  0.307162  0.192631  1
  Fe  Fe85  1  0.442575  0.307251  0.442575  1
  Fe  Fe86  1  0.442694  0.307379  0.692663  1
  Fe  Fe87  1  0.442754  0.307402  0.942727  1
  Fe  Fe88  1  0.442650  0.557081  0.192664  1
  Fe  Fe89  1  0.442687  0.557190  0.442687  1
  Fe  Fe90  1  0.442733  0.557343  0.692712  1
  Fe  Fe91  1  0.442750  0.557363  0.942688  1
  Fe  Fe92  1  0.442822  0.807229  0.192794  1
  Fe  Fe93  1  0.442715  0.807323  0.442715  1
  Fe  Fe94  1  0.442765  0.807338  0.692707  1
  Fe  Fe95  1  0.442787  0.807377  0.942723  1
  Fe  Fe96  1  0.692587  0.057355  0.192802  1
  Fe  Fe97  1  0.692648  0.057378  0.442726  1
  Fe  Fe98  1  0.692719  0.057402  0.692719  1
  Fe  Fe99  1  0.692761  0.057437  0.942788  1
  Fe  Fe100  1  0.692640  0.307430  0.192736  1
  Fe  Fe101  1  0.692663  0.307379  0.442694  1
  Fe  Fe102  1  0.692704  0.307384  0.692704  1
  Fe  Fe103  1  0.692730  0.307374  0.942747  1
  Fe  Fe104  1  0.692714  0.557353  0.192746  1
  Fe  Fe105  1  0.692712  0.557343  0.442733  1
  Fe  Fe106  1  0.692741  0.557368  0.692741  1
  Fe  Fe107  1  0.692760  0.557391  0.942732  1
  Fe  Fe108  1  0.692887  0.807408  0.192673  1
  Fe  Fe109  1  0.692707  0.807338  0.442765  1
  Fe  Fe110  1  0.692810  0.807386  0.692810  1
  Fe  Fe111  1  0.692968  0.807482  0.942703  1
  Fe  Fe112  1  0.941766  0.057219  0.193266  1
  Fe  Fe113  1  0.942657  0.057335  0.442770  1
  Fe  Fe114  1  0.942788  0.057437  0.692761  1
  Fe  Fe115  1  0.943480  0.058070  0.943480  1
  Fe  Fe116  1  0.942711  0.307410  0.192667  1
  Fe  Fe117  1  0.942727  0.307402  0.442754  1
  Fe  Fe118  1  0.942747  0.307374  0.692730  1
  Fe  Fe119  1  0.942725  0.307478  0.942725  1
  Fe  Fe120  1  0.942739  0.557446  0.192757  1
  Fe  Fe121  1  0.942688  0.557363  0.442750  1
  Fe  Fe122  1  0.942732  0.557391  0.692760  1
  Fe  Fe123  1  0.942736  0.557398  0.942736  1
  Fe  Fe124  1  0.942689  0.807496  0.192649  1
  Fe  Fe125  1  0.942723  0.807377  0.442787  1
  Fe  Fe126  1  0.942703  0.807482  0.692968  1
  Fe  Fe127  1  0.942930  0.807324  0.942930  1
  Fe  Fe128  1  0.058385  0.191827  0.191827  1
  Fe  Fe129  1  0.057329  0.192600  0.442686  1
  Fe  Fe130  1  0.057355  0.192802  0.692587  1
  Fe  Fe131  1  0.057219  0.193266  0.941766  1
  Fe  Fe132  1  0.057329  0.442686  0.192600  1
  Fe  Fe133  1  0.057537  0.442441  0.442441  1
  Fe  Fe134  1  0.057378  0.442726  0.692648  1
  Fe  Fe135  1  0.057335  0.442770  0.942657  1
  Fe  Fe136  1  0.057355  0.692587  0.192802  1
  Fe  Fe137  1  0.057378  0.692648  0.442726  1
  Fe  Fe138  1  0.057402  0.692719  0.692719  1
  Fe  Fe139  1  0.057437  0.692761  0.942788  1
  Fe  Fe140  1  0.057219  0.941766  0.193266  1
  Fe  Fe141  1  0.057335  0.942657  0.442770  1
  Fe  Fe142  1  0.057437  0.942788  0.692761  1
  Fe  Fe143  1  0.058070  0.943480  0.943480  1
  Fe  Fe144  1  0.305911  0.191932  0.191932  1
  Fe  Fe145  1  0.307162  0.192631  0.442597  1
  Fe  Fe146  1  0.307430  0.192736  0.692640  1
  Fe  Fe147  1  0.307410  0.192667  0.942711  1
  Fe  Fe148  1  0.307162  0.442597  0.192631  1
  Fe  Fe149  1  0.307251  0.442575  0.442575  1
  Fe  Fe150  1  0.307379  0.442694  0.692663  1
  Fe  Fe151  1  0.307402  0.442754  0.942727  1
  Fe  Fe152  1  0.307430  0.692640  0.192736  1
  Fe  Fe153  1  0.307379  0.692663  0.442694  1
  Fe  Fe154  1  0.307384  0.692704  0.692704  1
  Fe  Fe155  1  0.307374  0.692730  0.942747  1
  Fe  Fe156  1  0.307410  0.942711  0.192667  1
  Fe  Fe157  1  0.307402  0.942727  0.442754  1
  Fe  Fe158  1  0.307374  0.942747  0.692730  1
  Fe  Fe159  1  0.307478  0.942725  0.942725  1
  Fe  Fe160  1  0.557204  0.192724  0.192724  1
  Fe  Fe161  1  0.557081  0.192664  0.442650  1
  Fe  Fe162  1  0.557353  0.192746  0.692714  1
  Fe  Fe163  1  0.557446  0.192757  0.942739  1
  Fe  Fe164  1  0.557081  0.442650  0.192664  1
  Fe  Fe165  1  0.557190  0.442687  0.442687  1
  Fe  Fe166  1  0.557343  0.442733  0.692712  1
  Fe  Fe167  1  0.557363  0.442750  0.942688  1
  Fe  Fe168  1  0.557353  0.692714  0.192746  1
  Fe  Fe169  1  0.557343  0.692712  0.442733  1
  Fe  Fe170  1  0.557368  0.692741  0.692741  1
  Fe  Fe171  1  0.557391  0.692760  0.942732  1
  Fe  Fe172  1  0.557446  0.942739  0.192757  1
  Fe  Fe173  1  0.557363  0.942688  0.442750  1
  Fe  Fe174  1  0.557391  0.942732  0.692760  1
  Fe  Fe175  1  0.557398  0.942736  0.942736  1
  Fe  Fe176  1  0.807115  0.193013  0.193013  1
  Fe  Fe177  1  0.807229  0.192794  0.442822  1
  Fe  Fe178  1  0.807408  0.192673  0.692887  1
  Fe  Fe179  1  0.807496  0.192649  0.942689  1
  Fe  Fe180  1  0.807229  0.442822  0.192794  1
  Fe  Fe181  1  0.807323  0.442715  0.442715  1
  Fe  Fe182  1  0.807338  0.442765  0.692707  1
  Fe  Fe183  1  0.807377  0.442787  0.942723  1
  Fe  Fe184  1  0.807408  0.692887  0.192673  1
  Fe  Fe185  1  0.807338  0.692707  0.442765  1
  Fe  Fe186  1  0.807386  0.692810  0.692810  1
  Fe  Fe187  1  0.807482  0.692968  0.942703  1
  Fe  Fe188  1  0.807496  0.942689  0.192649  1
  Fe  Fe189  1  0.807377  0.942723  0.442787  1
  Fe  Fe190  1  0.807482  0.942703  0.692968  1
  Fe  Fe191  1  0.807324  0.942930  0.942930  1
  Fe  Fe192  1  0.191827  0.191827  0.058385  1
  Fe  Fe193  1  0.191932  0.191932  0.305911  1
  Fe  Fe194  1  0.192724  0.192724  0.557204  1
  Fe  Fe195  1  0.193013  0.193013  0.807115  1
  Fe  Fe196  1  0.192600  0.442686  0.057329  1
  Fe  Fe197  1  0.192631  0.442597  0.307162  1
  Fe  Fe198  1  0.192664  0.442650  0.557081  1
  Fe  Fe199  1  0.192794  0.442822  0.807229  1
  Fe  Fe200  1  0.192802  0.692587  0.057355  1
  Fe  Fe201  1  0.192736  0.692640  0.307430  1
  Fe  Fe202  1  0.192746  0.692714  0.557353  1
  Fe  Fe203  1  0.192673  0.692887  0.807408  1
  Fe  Fe204  1  0.193266  0.941766  0.057219  1
  Fe  Fe205  1  0.192667  0.942711  0.307410  1
  Fe  Fe206  1  0.192757  0.942739  0.557446  1
  Fe  Fe207  1  0.192649  0.942689  0.807496  1
  Fe  Fe208  1  0.442686  0.192600  0.057329  1
  Fe  Fe209  1  0.442597  0.192631  0.307162  1
  Fe  Fe210  1  0.442650  0.192664  0.557081  1
  Fe  Fe211  1  0.442822  0.192794  0.807229  1
  Fe  Fe212  1  0.442441  0.442441  0.057537  1
  Fe  Fe213  1  0.442575  0.442575  0.307251  1
  Fe  Fe214  1  0.442687  0.442687  0.557190  1
  Fe  Fe215  1  0.442715  0.442715  0.807323  1
  Fe  Fe216  1  0.442726  0.692648  0.057378  1
  Fe  Fe217  1  0.442694  0.692663  0.307379  1
  Fe  Fe218  1  0.442733  0.692712  0.557343  1
  Fe  Fe219  1  0.442765  0.692707  0.807338  1
  Fe  Fe220  1  0.442770  0.942657  0.057335  1
  Fe  Fe221  1  0.442754  0.942727  0.307402  1
  Fe  Fe222  1  0.442750  0.942688  0.557363  1
  Fe  Fe223  1  0.442787  0.942723  0.807377  1
  Fe  Fe224  1  0.692587  0.192802  0.057355  1
  Fe  Fe225  1  0.692640  0.192736  0.307430  1
  Fe  Fe226  1  0.692714  0.192746  0.557353  1
  Fe  Fe227  1  0.692887  0.192673  0.807408  1
  Fe  Fe228  1  0.692648  0.442726  0.057378  1
  Fe  Fe229  1  0.692663  0.442694  0.307379  1
  Fe  Fe230  1  0.692712  0.442733  0.557343  1
  Fe  Fe231  1  0.692707  0.442765  0.807338  1
  Fe  Fe232  1  0.692719  0.692719  0.057402  1
  Fe  Fe233  1  0.692704  0.692704  0.307384  1
  Fe  Fe234  1  0.692741  0.692741  0.557368  1
  Fe  Fe235  1  0.692810  0.692810  0.807386  1
  Fe  Fe236  1  0.692761  0.942788  0.057437  1
  Fe  Fe237  1  0.692730  0.942747  0.307374  1
  Fe  Fe238  1  0.692760  0.942732  0.557391  1
  Fe  Fe239  1  0.692968  0.942703  0.807482  1
  Fe  Fe240  1  0.941766  0.193266  0.057219  1
  Fe  Fe241  1  0.942711  0.192667  0.307410  1
  Fe  Fe242  1  0.942739  0.192757  0.557446  1
  Fe  Fe243  1  0.942689  0.192649  0.807496  1
  Fe  Fe244  1  0.942657  0.442770  0.057335  1
  Fe  Fe245  1  0.942727  0.442754  0.307402  1
  Fe  Fe246  1  0.942688  0.442750  0.557363  1
  Fe  Fe247  1  0.942723  0.442787  0.807377  1
  Fe  Fe248  1  0.942788  0.692761  0.057437  1
  Fe  Fe249  1  0.942747  0.692730  0.307374  1
  Fe  Fe250  1  0.942732  0.692760  0.557391  1
  Fe  Fe251  1  0.942703  0.692968  0.807482  1
  Fe  Fe252  1  0.943480  0.943480  0.058070  1
  Fe  Fe253  1  0.942725  0.942725  0.307478  1
  Fe  Fe254  1  0.942736  0.942736  0.557398  1
  Fe  Fe255  1  0.942930  0.942930  0.807324  1
  C  C256  1  0.123118  0.123118  0.123118  1
  C  C257  1  0.124920  0.124920  0.374918  1
  C  C258  1  0.125095  0.125095  0.624984  1
  C  C259  1  0.125330  0.125330  0.874766  1
  C  C260  1  0.124920  0.374918  0.124920  1
  C  C261  1  0.125036  0.374650  0.374650  1
  C  C262  1  0.125046  0.375066  0.624924  1
  C  C263  1  0.125129  0.375207  0.874975  1
  C  C264  1  0.125095  0.624984  0.125095  1
  C  C265  1  0.125046  0.624924  0.375066  1
  C  C266  1  0.125066  0.625023  0.625023  1
  C  C267  1  0.125053  0.625084  0.875033  1
  C  C268  1  0.125330  0.874766  0.125330  1
  C  C269  1  0.125129  0.874975  0.375207  1
  C  C270  1  0.125053  0.875033  0.625084  1
  C  C271  1  0.124831  0.875272  0.875272  1
  C  C272  1  0.374918  0.124920  0.124920  1
  C  C273  1  0.374650  0.125036  0.374650  1
  C  C274  1  0.375066  0.125046  0.624924  1
  C  C275  1  0.375207  0.125129  0.874975  1
  C  C276  1  0.374650  0.374650  0.125036  1
  C  C277  1  0.374867  0.374867  0.374867  1
  C  C278  1  0.375036  0.375036  0.624930  1
  C  C279  1  0.375042  0.375042  0.875032  1
  C  C280  1  0.375066  0.624924  0.125046  1
  C  C281  1  0.375036  0.624930  0.375036  1
  C  C282  1  0.375058  0.625015  0.625015  1
  C  C283  1  0.375055  0.625073  0.875039  1
  C  C284  1  0.375207  0.874975  0.125129  1
  C  C285  1  0.375042  0.875032  0.375042  1
  C  C286  1  0.375055  0.875039  0.625073  1
  C  C287  1  0.375081  0.875007  0.875007  1
  C  C288  1  0.624984  0.125095  0.125095  1
  C  C289  1  0.624924  0.125046  0.375066  1
  C  C290  1  0.625023  0.125066  0.625023  1
  C  C291  1  0.625084  0.125053  0.875033  1
  C  C292  1  0.624924  0.375066  0.125046  1
  C  C293  1  0.624930  0.375036  0.375036  1
  C  C294  1  0.625015  0.375058  0.625015  1
  C  C295  1  0.625073  0.375055  0.875039  1
  C  C296  1  0.625023  0.625023  0.125066  1
  C  C297  1  0.625015  0.625015  0.375058  1
  C  C298  1  0.625069  0.625069  0.625069  1
  C  C299  1  0.625120  0.625120  0.875058  1
  C  C300  1  0.625084  0.875033  0.125053  1
  C  C301  1  0.625073  0.875039  0.375055  1
  C  C302  1  0.625120  0.875058  0.625120  1
  C  C303  1  0.625140  0.875086  0.875086  1
  C  C304  1  0.874766  0.125330  0.125330  1
  C  C305  1  0.874975  0.125129  0.375207  1
  C  C306  1  0.875033  0.125053  0.625084  1
  C  C307  1  0.875272  0.124831  0.875272  1
  C  C308  1  0.874975  0.375207  0.125129  1
  C  C309  1  0.875032  0.375042  0.375042  1
  C  C310  1  0.875039  0.375055  0.625073  1
  C  C311  1  0.875007  0.375081  0.875007  1
  C  C312  1  0.875033  0.625084  0.125053  1
  C  C313  1  0.875039  0.625073  0.375055  1
  C  C314  1  0.875058  0.625120  0.625120  1
  C  C315  1  0.875086  0.625140  0.875086  1
  C  C316  1  0.875272  0.875272  0.124831  1
  C  C317  1  0.875007  0.875007  0.375081  1
  C  C318  1  0.875086  0.875086  0.625140  1
  C  C319  1  0.875516  0.875516  0.875516  1
