# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.30755641
_cell_length_b   8.86132998
_cell_length_c   49.78655550
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.40507926
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe160 C64'
_cell_volume   4073.01371427
_cell_formula_units_Z   32
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  0.798067  0.506306  0.299557  1
  Fe  Fe2  1  0.327423  0.301297  0.327938  1
  Fe  Fe3  1  0.353313  0.243855  0.282433  1
  Fe  Fe4  1  0.883644  0.039599  0.309835  1
  Fe  Fe5  1  0.462780  0.738398  0.298735  1
  Fe  Fe6  1  0.996911  0.538379  0.327950  1
  Fe  Fe7  1  0.711927  0.752423  0.298000  1
  Fe  Fe8  1  0.243257  0.548755  0.326330  1
  Fe  Fe9  1  0.431185  0.984721  0.284948  1
  Fe  Fe10  1  0.968023  0.791646  0.312667  1
  Fe  Fe11  1  0.553249  0.466604  0.305270  1
  Fe  Fe12  1  0.081527  0.260108  0.333277  1
  Fe  Fe13  1  0.722651  0.203715  0.315610  1
  Fe  Fe14  1  0.199727  0.415028  0.286119  1
  Fe  Fe15  1  0.602844  0.279040  0.277459  1
  Fe  Fe16  1  0.129067  0.081044  0.305080  1
  Fe  Fe17  1  0.683660  0.014317  0.282410  1
  Fe  Fe18  1  0.211735  0.806575  0.310056  1
  Fe  Fe19  1  0.487538  0.133485  0.324340  1
  Fe  Fe20  1  0.953641  0.337904  0.296576  1
  Fe  Fe21  1  0.856854  0.098803  0.355434  1
  Fe  Fe22  1  0.386878  0.896463  0.383138  1
  Fe  Fe23  1  0.414098  0.837628  0.338353  1
  Fe  Fe24  1  0.946260  0.637380  0.366293  1
  Fe  Fe25  1  0.528163  0.335789  0.355146  1
  Fe  Fe26  1  0.057027  0.133565  0.383236  1
  Fe  Fe27  1  0.775227  0.350730  0.353516  1
  Fe  Fe28  1  0.305352  0.145840  0.381409  1
  Fe  Fe29  1  0.498674  0.591180  0.340210  1
  Fe  Fe30  1  0.027589  0.386775  0.368160  1
  Fe  Fe31  1  0.612920  0.058463  0.360694  1
  Fe  Fe32  1  0.142976  0.856324  0.388670  1
  Fe  Fe33  1  0.786442  0.805215  0.369337  1
  Fe  Fe34  1  0.256402  0.006197  0.341879  1
  Fe  Fe35  1  0.660615  0.881546  0.333511  1
  Fe  Fe36  1  0.190287  0.676936  0.361039  1
  Fe  Fe37  1  0.746314  0.603490  0.338582  1
  Fe  Fe38  1  0.275937  0.399303  0.366440  1
  Fe  Fe39  1  0.546758  0.729527  0.379973  1
  Fe  Fe40  1  0.016251  0.931584  0.352195  1
  Fe  Fe41  1  0.917475  0.694276  0.411027  1
  Fe  Fe42  1  0.447656  0.491359  0.438736  1
  Fe  Fe43  1  0.476059  0.434080  0.393977  1
  Fe  Fe44  1  0.005875  0.231571  0.421868  1
  Fe  Fe45  1  0.587129  0.930892  0.411017  1
  Fe  Fe46  1  0.117712  0.728429  0.438748  1
  Fe  Fe47  1  0.835072  0.943312  0.409250  1
  Fe  Fe48  1  0.365451  0.740912  0.436991  1
  Fe  Fe49  1  0.558429  0.184887  0.395812  1
  Fe  Fe50  1  0.088501  0.982272  0.423669  1
  Fe  Fe51  1  0.673140  0.653444  0.416348  1
  Fe  Fe52  1  0.203504  0.450894  0.444156  1
  Fe  Fe53  1  0.846763  0.399033  0.425099  1
  Fe  Fe54  1  0.316409  0.601432  0.397319  1
  Fe  Fe55  1  0.720197  0.475157  0.388722  1
  Fe  Fe56  1  0.250426  0.271933  0.416477  1
  Fe  Fe57  1  0.805805  0.197863  0.394050  1
  Fe  Fe58  1  0.336227  0.994827  0.421828  1
  Fe  Fe59  1  0.607116  0.324263  0.435511  1
  Fe  Fe60  1  0.076949  0.526806  0.407759  1
  Fe  Fe61  1  0.978189  0.289033  0.466549  1
  Fe  Fe62  1  0.508588  0.086473  0.494314  1
  Fe  Fe63  1  0.536488  0.029053  0.449628  1
  Fe  Fe64  1  0.066916  0.826545  0.477392  1
  Fe  Fe65  1  0.647986  0.525880  0.466545  1
  Fe  Fe66  1  0.178464  0.323265  0.494316  1
  Fe  Fe67  1  0.895750  0.538519  0.464740  1
  Fe  Fe68  1  0.426163  0.335921  0.492509  1
  Fe  Fe69  1  0.618807  0.779472  0.451442  1
  Fe  Fe70  1  0.149268  0.576966  0.479223  1
  Fe  Fe71  1  0.733932  0.248382  0.471912  1
  Fe  Fe72  1  0.264362  0.045788  0.499693  1
  Fe  Fe73  1  0.907535  0.993809  0.480674  1
  Fe  Fe74  1  0.377242  0.196505  0.452809  1
  Fe  Fe75  1  0.780667  0.069683  0.444242  1
  Fe  Fe76  1  0.311079  0.867084  0.472031  1
  Fe  Fe77  1  0.866603  0.792211  0.449644  1
  Fe  Fe78  1  0.396975  0.589650  0.477400  1
  Fe  Fe79  1  0.667884  0.919199  0.491067  1
  Fe  Fe80  1  0.137508  0.121583  0.463306  1
  Fe  Fe81  1  0.038949  0.883876  0.522113  1
  Fe  Fe82  1  0.569378  0.681369  0.549877  1
  Fe  Fe83  1  0.597277  0.623947  0.505191  1
  Fe  Fe84  1  0.127676  0.421388  0.532955  1
  Fe  Fe85  1  0.708890  0.120771  0.522105  1
  Fe  Fe86  1  0.239263  0.918211  0.549861  1
  Fe  Fe87  1  0.956598  0.133454  0.520282  1
  Fe  Fe88  1  0.487058  0.930949  0.548062  1
  Fe  Fe89  1  0.679702  0.374500  0.506996  1
  Fe  Fe90  1  0.210116  0.171901  0.534765  1
  Fe  Fe91  1  0.794786  0.843337  0.527473  1
  Fe  Fe92  1  0.325197  0.640738  0.555263  1
  Fe  Fe93  1  0.968357  0.588837  0.536199  1
  Fe  Fe94  1  0.437981  0.791221  0.508438  1
  Fe  Fe95  1  0.841503  0.664632  0.499812  1
  Fe  Fe96  1  0.371933  0.462038  0.527593  1
  Fe  Fe97  1  0.927401  0.387156  0.505189  1
  Fe  Fe98  1  0.457879  0.184541  0.532960  1
  Fe  Fe99  1  0.728624  0.513915  0.546696  1
  Fe  Fe100  1  0.198331  0.716611  0.518830  1
  Fe  Fe101  1  0.099992  0.478852  0.577636  1
  Fe  Fe102  1  0.629807  0.276342  0.605528  1
  Fe  Fe103  1  0.658209  0.219062  0.560768  1
  Fe  Fe104  1  0.188390  0.016143  0.588478  1
  Fe  Fe105  1  0.769638  0.715594  0.577677  1
  Fe  Fe106  1  0.300061  0.512559  0.605455  1
  Fe  Fe107  1  0.017364  0.728149  0.575835  1
  Fe  Fe108  1  0.547435  0.525533  0.603693  1
  Fe  Fe109  1  0.740415  0.969509  0.562514  1
  Fe  Fe110  1  0.270793  0.767108  0.590255  1
  Fe  Fe111  1  0.855438  0.438488  0.583028  1
  Fe  Fe112  1  0.385667  0.235265  0.610783  1
  Fe  Fe113  1  0.028916  0.183614  0.591746  1
  Fe  Fe114  1  0.498749  0.386157  0.563993  1
  Fe  Fe115  1  0.902362  0.259526  0.555349  1
  Fe  Fe116  1  0.432726  0.056976  0.583157  1
  Fe  Fe117  1  0.988153  0.981992  0.560757  1
  Fe  Fe118  1  0.518736  0.779529  0.588488  1
  Fe  Fe119  1  0.789457  0.108988  0.602185  1
  Fe  Fe120  1  0.259103  0.311387  0.574406  1
  Fe  Fe121  1  0.159607  0.073044  0.633212  1
  Fe  Fe122  1  0.691774  0.872805  0.661150  1
  Fe  Fe123  1  0.718988  0.813958  0.616367  1
  Fe  Fe124  1  0.249011  0.611617  0.644071  1
  Fe  Fe125  1  0.829932  0.311124  0.633065  1
  Fe  Fe126  1  0.359552  0.106932  0.660922  1
  Fe  Fe127  1  0.078276  0.323645  0.631345  1
  Fe  Fe128  1  0.607190  0.119241  0.659295  1
  Fe  Fe129  1  0.800513  0.564581  0.618095  1
  Fe  Fe130  1  0.330638  0.359691  0.645989  1
  Fe  Fe131  1  0.915572  0.033488  0.638465  1
  Fe  Fe132  1  0.445245  0.828877  0.665993  1
  Fe  Fe133  1  0.089613  0.778838  0.647310  1
  Fe  Fe134  1  0.559107  0.980893  0.619532  1
  Fe  Fe135  1  0.962890  0.854096  0.610835  1
  Fe  Fe136  1  0.492944  0.651958  0.638811  1
  Fe  Fe137  1  0.048838  0.576854  0.616269  1
  Fe  Fe138  1  0.577702  0.374631  0.644358  1
  Fe  Fe139  1  0.849463  0.704224  0.657626  1
  Fe  Fe140  1  0.319423  0.905205  0.630168  1
  Fe  Fe141  1  0.222222  0.670823  0.689669  1
  Fe  Fe142  1  0.752552  0.466566  0.717071  1
  Fe  Fe143  1  0.778442  0.409124  0.671566  1
  Fe  Fe144  1  0.307799  0.204114  0.699947  1
  Fe  Fe145  1  0.894131  0.903846  0.689449  1
  Fe  Fe146  1  0.422208  0.696105  0.717094  1
  Fe  Fe147  1  0.137838  0.918775  0.686838  1
  Fe  Fe148  1  0.674675  0.725700  0.714557  1
  Fe  Fe149  1  0.862608  0.161666  0.673175  1
  Fe  Fe150  1  0.393938  0.957997  0.701505  1
  Fe  Fe151  1  0.976795  0.629378  0.694425  1
  Fe  Fe152  1  0.503022  0.431380  0.722046  1
  Fe  Fe153  1  0.152224  0.372517  0.702928  1
  Fe  Fe154  1  0.618327  0.576935  0.675164  1
  Fe  Fe155  1  0.024338  0.450313  0.666228  1
  Fe  Fe156  1  0.552616  0.243817  0.694235  1
  Fe  Fe157  1  0.108955  0.172041  0.671554  1
  Fe  Fe158  1  0.643085  0.972022  0.700770  1
  Fe  Fe159  1  0.906138  0.295393  0.713385  1
  Fe  Fe160  1  0.383214  0.506705  0.683895  1
  C  C161  1  0.655347  0.367133  0.325179  1
  C  C162  1  0.123655  0.566270  0.298063  1
  C  C163  1  0.829001  0.841432  0.331596  1
  C  C164  1  0.300150  0.046087  0.304240  1
  C  C165  1  0.382530  0.502229  0.306892  1
  C  C166  1  0.855569  0.710507  0.279245  1
  C  C167  1  0.557087  0.975555  0.312711  1
  C  C168  1  0.030249  0.185819  0.285455  1
  C  C169  1  0.714459  0.960538  0.381153  1
  C  C170  1  0.183880  0.161662  0.353349  1
  C  C171  1  0.889231  0.436176  0.387372  1
  C  C172  1  0.359024  0.637429  0.359582  1
  C  C173  1  0.444017  0.097687  0.362057  1
  C  C174  1  0.912748  0.299716  0.334332  1
  C  C175  1  0.618678  0.573700  0.368401  1
  C  C176  1  0.089563  0.776740  0.340786  1
  C  C177  1  0.774853  0.554958  0.436625  1
  C  C178  1  0.244776  0.757594  0.408856  1
  C  C179  1  0.949596  0.030452  0.442929  1
  C  C180  1  0.419499  0.233034  0.415067  1
  C  C181  1  0.504191  0.692620  0.417698  1
  C  C182  1  0.973921  0.895324  0.389937  1
  C  C183  1  0.678920  0.168237  0.423988  1
  C  C184  1  0.148640  0.370608  0.396268  1
  C  C185  1  0.835654  0.149819  0.492169  1
  C  C186  1  0.305258  0.352266  0.464387  1
  C  C187  1  0.010408  0.625373  0.498452  1
  C  C188  1  0.480024  0.827903  0.470693  1
  C  C189  1  0.565024  0.287640  0.473256  1
  C  C190  1  0.034632  0.490225  0.445497  1
  C  C191  1  0.739749  0.763190  0.479563  1
  C  C192  1  0.209441  0.965705  0.451764  1
  C  C193  1  0.896424  0.744715  0.547740  1
  C  C194  1  0.366116  0.947230  0.519942  1
  C  C195  1  0.071233  0.220194  0.554008  1
  C  C196  1  0.540841  0.422780  0.526249  1
  C  C197  1  0.625841  0.882516  0.528812  1
  C  C198  1  0.095457  0.085047  0.501053  1
  C  C199  1  0.800607  0.358154  0.535118  1
  C  C200  1  0.270211  0.560602  0.507336  1
  C  C201  1  0.957224  0.339811  0.603237  1
  C  C202  1  0.426945  0.542183  0.575517  1
  C  C203  1  0.131945  0.815098  0.609568  1
  C  C204  1  0.601674  0.017800  0.581806  1
  C  C205  1  0.686366  0.477384  0.584438  1
  C  C206  1  0.156269  0.679966  0.556576  1
  C  C207  1  0.861088  0.952827  0.590649  1
  C  C208  1  0.331012  0.155463  0.562880  1
  C  C209  1  0.016306  0.933674  0.658720  1
  C  C210  1  0.487187  0.136719  0.631104  1
  C  C211  1  0.193118  0.410705  0.665173  1
  C  C212  1  0.661849  0.612733  0.637448  1
  C  C213  1  0.746841  0.072976  0.639924  1
  C  C214  1  0.216634  0.274240  0.612133  1
  C  C215  1  0.921986  0.548758  0.646156  1
  C  C216  1  0.391406  0.749882  0.618352  1
  C  C217  1  0.075617  0.524599  0.714050  1
  C  C218  1  0.548775  0.734857  0.686797  1
  C  C219  1  0.250297  0.999914  0.720260  1
  C  C220  1  0.723335  0.208191  0.692613  1
  C  C221  1  0.805720  0.664330  0.695265  1
  C  C222  1  0.276868  0.868985  0.667909  1
  C  C223  1  0.982210  0.144150  0.701441  1
  C  C224  1  0.450518  0.343286  0.674326  1
