# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.49391857
_cell_length_b   10.29978237
_cell_length_c   48.08802472
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.45623069
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe200 C80'
_cell_volume   5430.71572513
_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  0.401823  0.727350  0.329128  1
  Fe  Fe2  1  0.338466  0.312202  0.369812  1
  Fe  Fe3  1  0.088047  0.902864  0.330109  1
  Fe  Fe4  1  0.026776  0.487946  0.371492  1
  Fe  Fe5  1  0.175101  0.115194  0.351983  1
  Fe  Fe6  1  0.236368  0.526078  0.309764  1
  Fe  Fe7  1  0.301167  0.034948  0.316228  1
  Fe  Fe8  1  0.236885  0.619430  0.358655  1
  Fe  Fe9  1  0.239780  0.864215  0.356291  1
  Fe  Fe10  1  0.300698  0.280204  0.314834  1
  Fe  Fe11  1  0.236343  0.775940  0.307262  1
  Fe  Fe12  1  0.177911  0.362475  0.349906  1
  Fe  Fe13  1  0.445023  0.907336  0.294047  1
  Fe  Fe14  1  0.388650  0.493220  0.336493  1
  Fe  Fe15  1  0.138856  0.087636  0.295779  1
  Fe  Fe16  1  0.077782  0.669588  0.337732  1
  Fe  Fe17  1  0.437755  0.892218  0.366756  1
  Fe  Fe18  1  0.500812  0.306810  0.326008  1
  Fe  Fe19  1  0.476810  0.088509  0.340997  1
  Fe  Fe20  1  0.538968  0.507327  0.299560  1
  Fe  Fe21  1  0.901823  0.727350  0.329128  1
  Fe  Fe22  1  0.838466  0.312202  0.369812  1
  Fe  Fe23  1  0.588047  0.902864  0.330109  1
  Fe  Fe24  1  0.526776  0.487946  0.371492  1
  Fe  Fe25  1  0.675101  0.115194  0.351983  1
  Fe  Fe26  1  0.736368  0.526078  0.309764  1
  Fe  Fe27  1  0.801167  0.034948  0.316228  1
  Fe  Fe28  1  0.736885  0.619430  0.358655  1
  Fe  Fe29  1  0.739780  0.864215  0.356291  1
  Fe  Fe30  1  0.800698  0.280204  0.314834  1
  Fe  Fe31  1  0.736343  0.775940  0.307262  1
  Fe  Fe32  1  0.677911  0.362475  0.349906  1
  Fe  Fe33  1  0.945023  0.907336  0.294047  1
  Fe  Fe34  1  0.888650  0.493220  0.336493  1
  Fe  Fe35  1  0.638856  0.087636  0.295779  1
  Fe  Fe36  1  0.577782  0.669588  0.337732  1
  Fe  Fe37  1  0.937755  0.892218  0.366756  1
  Fe  Fe38  1  0.000812  0.306810  0.326008  1
  Fe  Fe39  1  0.976810  0.088509  0.340997  1
  Fe  Fe40  1  0.038968  0.507327  0.299560  1
  Fe  Fe41  1  0.276028  0.898889  0.411659  1
  Fe  Fe42  1  0.213022  0.485220  0.453357  1
  Fe  Fe43  1  0.963899  0.074631  0.413269  1
  Fe  Fe44  1  0.901191  0.661061  0.454942  1
  Fe  Fe45  1  0.049319  0.290461  0.435182  1
  Fe  Fe46  1  0.112385  0.703372  0.393557  1
  Fe  Fe47  1  0.173176  0.205586  0.400470  1
  Fe  Fe48  1  0.110863  0.792269  0.442143  1
  Fe  Fe49  1  0.114965  0.036204  0.439457  1
  Fe  Fe50  1  0.177265  0.450038  0.397878  1
  Fe  Fe51  1  0.115781  0.947914  0.390869  1
  Fe  Fe52  1  0.053375  0.534534  0.432586  1
  Fe  Fe53  1  0.325526  0.080653  0.377909  1
  Fe  Fe54  1  0.262917  0.665968  0.419827  1
  Fe  Fe55  1  0.012257  0.254292  0.379713  1
  Fe  Fe56  1  0.950882  0.841461  0.421379  1
  Fe  Fe57  1  0.312161  0.065658  0.450318  1
  Fe  Fe58  1  0.374765  0.479287  0.408782  1
  Fe  Fe59  1  0.351931  0.261108  0.424321  1
  Fe  Fe60  1  0.414613  0.674709  0.382682  1
  Fe  Fe61  1  0.776028  0.898889  0.411659  1
  Fe  Fe62  1  0.713022  0.485220  0.453357  1
  Fe  Fe63  1  0.463899  0.074631  0.413269  1
  Fe  Fe64  1  0.401191  0.661061  0.454942  1
  Fe  Fe65  1  0.549319  0.290461  0.435182  1
  Fe  Fe66  1  0.612385  0.703372  0.393557  1
  Fe  Fe67  1  0.673176  0.205586  0.400470  1
  Fe  Fe68  1  0.610863  0.792269  0.442143  1
  Fe  Fe69  1  0.614965  0.036204  0.439457  1
  Fe  Fe70  1  0.677265  0.450038  0.397878  1
  Fe  Fe71  1  0.615781  0.947914  0.390869  1
  Fe  Fe72  1  0.553375  0.534534  0.432586  1
  Fe  Fe73  1  0.825526  0.080653  0.377909  1
  Fe  Fe74  1  0.762917  0.665968  0.419827  1
  Fe  Fe75  1  0.512257  0.254292  0.379713  1
  Fe  Fe76  1  0.450882  0.841461  0.421379  1
  Fe  Fe77  1  0.812161  0.065658  0.450318  1
  Fe  Fe78  1  0.874765  0.479287  0.408782  1
  Fe  Fe79  1  0.851931  0.261108  0.424321  1
  Fe  Fe80  1  0.914613  0.674709  0.382682  1
  Fe  Fe81  1  0.150151  0.071697  0.495061  1
  Fe  Fe82  1  0.087484  0.658252  0.536764  1
  Fe  Fe83  1  0.838278  0.247420  0.496621  1
  Fe  Fe84  1  0.775689  0.834158  0.538348  1
  Fe  Fe85  1  0.923795  0.463349  0.518601  1
  Fe  Fe86  1  0.986718  0.876817  0.476924  1
  Fe  Fe87  1  0.047784  0.378671  0.483867  1
  Fe  Fe88  1  0.985017  0.965107  0.525574  1
  Fe  Fe89  1  0.988864  0.209468  0.522925  1
  Fe  Fe90  1  0.051787  0.622936  0.481248  1
  Fe  Fe91  1  0.990565  0.121178  0.474274  1
  Fe  Fe92  1  0.927799  0.707614  0.515982  1
  Fe  Fe93  1  0.199893  0.252127  0.461501  1
  Fe  Fe94  1  0.137304  0.838865  0.503228  1
  Fe  Fe95  1  0.888098  0.428033  0.463084  1
  Fe  Fe96  1  0.825431  0.014588  0.504788  1
  Fe  Fe97  1  0.186346  0.238694  0.533805  1
  Fe  Fe98  1  0.249269  0.652279  0.492129  1
  Fe  Fe99  1  0.226313  0.434006  0.507720  1
  Fe  Fe100  1  0.289237  0.847591  0.466044  1
  Fe  Fe101  1  0.650151  0.071697  0.495061  1
  Fe  Fe102  1  0.587484  0.658252  0.536764  1
  Fe  Fe103  1  0.338278  0.247420  0.496621  1
  Fe  Fe104  1  0.275689  0.834158  0.538348  1
  Fe  Fe105  1  0.423795  0.463349  0.518601  1
  Fe  Fe106  1  0.486718  0.876817  0.476924  1
  Fe  Fe107  1  0.547784  0.378671  0.483867  1
  Fe  Fe108  1  0.485017  0.965107  0.525574  1
  Fe  Fe109  1  0.488864  0.209468  0.522925  1
  Fe  Fe110  1  0.551787  0.622936  0.481248  1
  Fe  Fe111  1  0.490565  0.121178  0.474274  1
  Fe  Fe112  1  0.427799  0.707614  0.515982  1
  Fe  Fe113  1  0.699893  0.252127  0.461501  1
  Fe  Fe114  1  0.637304  0.838865  0.503228  1
  Fe  Fe115  1  0.388098  0.428033  0.463084  1
  Fe  Fe116  1  0.325431  0.014588  0.504788  1
  Fe  Fe117  1  0.686346  0.238694  0.533805  1
  Fe  Fe118  1  0.749269  0.652279  0.492129  1
  Fe  Fe119  1  0.726313  0.434006  0.507720  1
  Fe  Fe120  1  0.789237  0.847591  0.466044  1
  Fe  Fe121  1  0.024700  0.244823  0.578469  1
  Fe  Fe122  1  0.963325  0.831993  0.620136  1
  Fe  Fe123  1  0.712665  0.420317  0.580022  1
  Fe  Fe124  1  0.650057  0.005632  0.621940  1
  Fe  Fe125  1  0.798317  0.636247  0.601971  1
  Fe  Fe126  1  0.860617  0.050081  0.560392  1
  Fe  Fe127  1  0.922207  0.551751  0.567263  1
  Fe  Fe128  1  0.859802  0.138371  0.608980  1
  Fe  Fe129  1  0.863197  0.382913  0.606292  1
  Fe  Fe130  1  0.926263  0.795824  0.564667  1
  Fe  Fe131  1  0.864720  0.294015  0.557706  1
  Fe  Fe132  1  0.802406  0.880699  0.599379  1
  Fe  Fe133  1  0.074392  0.425224  0.544907  1
  Fe  Fe134  1  0.011683  0.011654  0.586580  1
  Fe  Fe135  1  0.762560  0.601064  0.546492  1
  Fe  Fe136  1  0.699554  0.187395  0.588190  1
  Fe  Fe137  1  0.060969  0.411576  0.617167  1
  Fe  Fe138  1  0.123651  0.825177  0.575528  1
  Fe  Fe139  1  0.100817  0.606998  0.591067  1
  Fe  Fe140  1  0.163421  0.020626  0.549531  1
  Fe  Fe141  1  0.524700  0.244823  0.578469  1
  Fe  Fe142  1  0.463325  0.831993  0.620136  1
  Fe  Fe143  1  0.212665  0.420317  0.580022  1
  Fe  Fe144  1  0.150057  0.005632  0.621940  1
  Fe  Fe145  1  0.298317  0.636247  0.601971  1
  Fe  Fe146  1  0.360617  0.050081  0.560392  1
  Fe  Fe147  1  0.422207  0.551751  0.567263  1
  Fe  Fe148  1  0.359802  0.138371  0.608980  1
  Fe  Fe149  1  0.363197  0.382913  0.606292  1
  Fe  Fe150  1  0.426263  0.795824  0.564667  1
  Fe  Fe151  1  0.364720  0.294015  0.557706  1
  Fe  Fe152  1  0.302406  0.880699  0.599379  1
  Fe  Fe153  1  0.574392  0.425224  0.544907  1
  Fe  Fe154  1  0.511683  0.011654  0.586580  1
  Fe  Fe155  1  0.262560  0.601064  0.546492  1
  Fe  Fe156  1  0.199554  0.187395  0.588190  1
  Fe  Fe157  1  0.560969  0.411576  0.617167  1
  Fe  Fe158  1  0.623651  0.825177  0.575528  1
  Fe  Fe159  1  0.600817  0.606998  0.591067  1
  Fe  Fe160  1  0.663421  0.020626  0.549531  1
  Fe  Fe161  1  0.897800  0.416697  0.662117  1
  Fe  Fe162  1  0.836726  0.998649  0.704070  1
  Fe  Fe163  1  0.586932  0.593065  0.663356  1
  Fe  Fe164  1  0.530559  0.178949  0.705802  1
  Fe  Fe165  1  0.674885  0.806081  0.685015  1
  Fe  Fe166  1  0.735802  0.222069  0.643558  1
  Fe  Fe167  1  0.797671  0.723810  0.649943  1
  Fe  Fe168  1  0.739239  0.310345  0.692587  1
  Fe  Fe169  1  0.739215  0.560207  0.690085  1
  Fe  Fe170  1  0.800481  0.971091  0.647866  1
  Fe  Fe171  1  0.738698  0.466854  0.641194  1
  Fe  Fe172  1  0.674415  0.051337  0.683621  1
  Fe  Fe173  1  0.948806  0.598339  0.628357  1
  Fe  Fe174  1  0.887535  0.183421  0.669739  1
  Fe  Fe175  1  0.637116  0.774083  0.630037  1
  Fe  Fe176  1  0.573759  0.358935  0.670721  1
  Fe  Fe177  1  0.936614  0.578958  0.700289  1
  Fe  Fe178  1  0.998772  0.997776  0.658852  1
  Fe  Fe179  1  0.974770  0.779475  0.673841  1
  Fe  Fe180  1  0.037827  0.194067  0.633093  1
  Fe  Fe181  1  0.397800  0.416697  0.662117  1
  Fe  Fe182  1  0.336726  0.998649  0.704070  1
  Fe  Fe183  1  0.086932  0.593065  0.663356  1
  Fe  Fe184  1  0.030559  0.178949  0.705802  1
  Fe  Fe185  1  0.174885  0.806081  0.685015  1
  Fe  Fe186  1  0.235802  0.222069  0.643558  1
  Fe  Fe187  1  0.297671  0.723810  0.649943  1
  Fe  Fe188  1  0.239239  0.310345  0.692587  1
  Fe  Fe189  1  0.239215  0.560207  0.690085  1
  Fe  Fe190  1  0.300481  0.971091  0.647866  1
  Fe  Fe191  1  0.238698  0.466854  0.641194  1
  Fe  Fe192  1  0.174415  0.051337  0.683621  1
  Fe  Fe193  1  0.448806  0.598339  0.628357  1
  Fe  Fe194  1  0.387535  0.183421  0.669739  1
  Fe  Fe195  1  0.137116  0.774083  0.630037  1
  Fe  Fe196  1  0.073759  0.358935  0.670721  1
  Fe  Fe197  1  0.436614  0.578958  0.700289  1
  Fe  Fe198  1  0.498772  0.997776  0.658852  1
  Fe  Fe199  1  0.474770  0.779475  0.673841  1
  Fe  Fe200  1  0.537827  0.194067  0.633093  1
  C  C201  1  0.061945  0.802312  0.364400  1
  C  C202  1  0.124939  0.217114  0.323361  1
  C  C203  1  0.372439  0.901325  0.330220  1
  C  C204  1  0.310879  0.486978  0.372056  1
  C  C205  1  0.352550  0.178317  0.343244  1
  C  C206  1  0.412672  0.593745  0.302202  1
  C  C207  1  0.165605  0.912226  0.294467  1
  C  C208  1  0.104315  0.494143  0.335903  1
  C  C209  1  0.561945  0.802312  0.364400  1
  C  C210  1  0.624939  0.217114  0.323361  1
  C  C211  1  0.872439  0.901325  0.330220  1
  C  C212  1  0.810879  0.486978  0.372056  1
  C  C213  1  0.852550  0.178317  0.343244  1
  C  C214  1  0.912672  0.593745  0.302202  1
  C  C215  1  0.665605  0.912226  0.294467  1
  C  C216  1  0.604315  0.494143  0.335903  1
  C  C217  1  0.936309  0.975834  0.447770  1
  C  C218  1  0.998828  0.389447  0.406032  1
  C  C219  1  0.248439  0.073721  0.413584  1
  C  C220  1  0.185336  0.659992  0.455407  1
  C  C221  1  0.227762  0.350839  0.426987  1
  C  C222  1  0.290384  0.764408  0.385276  1
  C  C223  1  0.041066  0.080091  0.377660  1
  C  C224  1  0.978775  0.666787  0.419372  1
  C  C225  1  0.436309  0.975834  0.447770  1
  C  C226  1  0.498828  0.389447  0.406032  1
  C  C227  1  0.748439  0.073721  0.413584  1
  C  C228  1  0.685336  0.659992  0.455407  1
  C  C229  1  0.727762  0.350839  0.426987  1
  C  C230  1  0.790384  0.764408  0.385276  1
  C  C231  1  0.541066  0.080091  0.377660  1
  C  C232  1  0.478775  0.666787  0.419372  1
  C  C233  1  0.810457  0.148869  0.531156  1
  C  C234  1  0.873322  0.562380  0.489459  1
  C  C235  1  0.122410  0.246445  0.497085  1
  C  C236  1  0.059746  0.832995  0.538807  1
  C  C237  1  0.102260  0.523905  0.510390  1
  C  C238  1  0.165125  0.937416  0.468693  1
  C  C239  1  0.915837  0.253289  0.461042  1
  C  C240  1  0.853173  0.839840  0.502764  1
  C  C241  1  0.310457  0.148869  0.531156  1
  C  C242  1  0.373322  0.562380  0.489459  1
  C  C243  1  0.622410  0.246445  0.497085  1
  C  C244  1  0.559746  0.832995  0.538807  1
  C  C245  1  0.602260  0.523905  0.510390  1
  C  C246  1  0.665125  0.937416  0.468693  1
  C  C247  1  0.415837  0.253289  0.461042  1
  C  C248  1  0.353173  0.839840  0.502764  1
  C  C249  1  0.685199  0.321877  0.614572  1
  C  C250  1  0.747821  0.735446  0.572862  1
  C  C251  1  0.996807  0.419498  0.580477  1
  C  C252  1  0.934517  0.006194  0.622189  1
  C  C253  1  0.976754  0.696838  0.593817  1
  C  C254  1  0.039273  0.110451  0.552079  1
  C  C255  1  0.790246  0.426293  0.544442  1
  C  C256  1  0.727143  0.012564  0.586264  1
  C  C257  1  0.185199  0.321877  0.614572  1
  C  C258  1  0.247821  0.735446  0.572862  1
  C  C259  1  0.496807  0.419498  0.580477  1
  C  C260  1  0.434517  0.006194  0.622189  1
  C  C261  1  0.476754  0.696838  0.593817  1
  C  C262  1  0.539273  0.110451  0.552079  1
  C  C263  1  0.290246  0.426293  0.544442  1
  C  C264  1  0.227143  0.012564  0.586264  1
  C  C265  1  0.562911  0.492540  0.697647  1
  C  C266  1  0.623033  0.907967  0.656605  1
  C  C267  1  0.871267  0.592141  0.663946  1
  C  C268  1  0.809977  0.174059  0.705382  1
  C  C269  1  0.850643  0.869171  0.676488  1
  C  C270  1  0.913638  0.283973  0.635448  1
  C  C271  1  0.664703  0.599307  0.627793  1
  C  C272  1  0.603143  0.184960  0.669629  1
  C  C273  1  0.062911  0.492540  0.697647  1
  C  C274  1  0.123033  0.907967  0.656605  1
  C  C275  1  0.371267  0.592141  0.663946  1
  C  C276  1  0.309977  0.174059  0.705382  1
  C  C277  1  0.350643  0.869171  0.676488  1
  C  C278  1  0.413638  0.283973  0.635448  1
  C  C279  1  0.164703  0.599307  0.627793  1
  C  C280  1  0.103143  0.184960  0.669629  1
