# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56431477
_cell_length_b   14.15752917
_cell_length_c   49.25992504
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.60969905
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe120 C48'
_cell_volume   3167.90323978
_cell_formula_units_Z   24
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  0.624888  0.301556  0.322534  1
  Fe  Fe2  1  0.656908  0.917890  0.287328  1
  Fe  Fe3  1  0.743944  0.004982  0.357100  1
  Fe  Fe4  1  0.771603  0.620520  0.320147  1
  Fe  Fe5  1  0.006095  0.524896  0.291151  1
  Fe  Fe6  1  0.961769  0.909764  0.327426  1
  Fe  Fe7  1  0.475443  0.475675  0.306884  1
  Fe  Fe8  1  0.443335  0.859836  0.343178  1
  Fe  Fe9  1  0.963607  0.061324  0.301890  1
  Fe  Fe10  1  0.923763  0.449686  0.337396  1
  Fe  Fe11  1  0.132688  0.337400  0.311875  1
  Fe  Fe12  1  0.096808  0.722895  0.348580  1
  Fe  Fe13  1  0.432437  0.147176  0.342186  1
  Fe  Fe14  1  0.464217  0.760287  0.307491  1
  Fe  Fe15  1  0.308157  0.196972  0.295837  1
  Fe  Fe16  1  0.266717  0.587479  0.332528  1
  Fe  Fe17  1  0.440799  0.012870  0.317537  1
  Fe  Fe18  1  0.406331  0.399631  0.352750  1
  Fe  Fe19  1  0.937092  0.162437  0.337893  1
  Fe  Fe20  1  0.973858  0.777992  0.302349  1
  Fe  Fe21  1  0.549201  0.073820  0.394801  1
  Fe  Fe22  1  0.586348  0.688925  0.359432  1
  Fe  Fe23  1  0.670669  0.774052  0.428366  1
  Fe  Fe24  1  0.706706  0.389593  0.392206  1
  Fe  Fe25  1  0.926404  0.294656  0.362617  1
  Fe  Fe26  1  0.886162  0.679184  0.398873  1
  Fe  Fe27  1  0.406941  0.245554  0.378074  1
  Fe  Fe28  1  0.368903  0.628594  0.414537  1
  Fe  Fe29  1  0.888084  0.833596  0.373227  1
  Fe  Fe30  1  0.850982  0.218594  0.408743  1
  Fe  Fe31  1  0.062926  0.109117  0.384116  1
  Fe  Fe32  1  0.024018  0.492127  0.419700  1
  Fe  Fe33  1  0.356748  0.916280  0.413927  1
  Fe  Fe34  1  0.395790  0.531871  0.377910  1
  Fe  Fe35  1  0.232137  0.969828  0.367945  1
  Fe  Fe36  1  0.194750  0.355265  0.403304  1
  Fe  Fe37  1  0.370610  0.783323  0.388945  1
  Fe  Fe38  1  0.333273  0.168444  0.424337  1
  Fe  Fe39  1  0.862836  0.931288  0.409408  1
  Fe  Fe40  1  0.898331  0.546975  0.373555  1
  Fe  Fe41  1  0.474787  0.842594  0.466332  1
  Fe  Fe42  1  0.511747  0.457741  0.430603  1
  Fe  Fe43  1  0.596240  0.543092  0.499614  1
  Fe  Fe44  1  0.633259  0.158656  0.463776  1
  Fe  Fe45  1  0.849538  0.063824  0.434335  1
  Fe  Fe46  1  0.812072  0.448334  0.470077  1
  Fe  Fe47  1  0.332006  0.013907  0.449941  1
  Fe  Fe48  1  0.294542  0.398102  0.485695  1
  Fe  Fe49  1  0.813178  0.602720  0.444538  1
  Fe  Fe50  1  0.776153  0.987518  0.480192  1
  Fe  Fe51  1  0.987504  0.877309  0.455465  1
  Fe  Fe52  1  0.949868  0.261516  0.491055  1
  Fe  Fe53  1  0.282693  0.685228  0.485255  1
  Fe  Fe54  1  0.321239  0.300780  0.449296  1
  Fe  Fe55  1  0.158108  0.739328  0.439184  1
  Fe  Fe56  1  0.120736  0.124201  0.474716  1
  Fe  Fe57  1  0.296020  0.552567  0.460164  1
  Fe  Fe58  1  0.258823  0.937486  0.495784  1
  Fe  Fe59  1  0.787781  0.700293  0.480792  1
  Fe  Fe60  1  0.824364  0.315853  0.444952  1
  Fe  Fe61  1  0.400272  0.611503  0.537796  1
  Fe  Fe62  1  0.437290  0.227067  0.501958  1
  Fe  Fe63  1  0.521784  0.312418  0.570968  1
  Fe  Fe64  1  0.558743  0.927564  0.535240  1
  Fe  Fe65  1  0.774707  0.832673  0.505788  1
  Fe  Fe66  1  0.737510  0.217592  0.541408  1
  Fe  Fe67  1  0.257378  0.782641  0.521380  1
  Fe  Fe68  1  0.220353  0.167439  0.557034  1
  Fe  Fe69  1  0.738988  0.372057  0.515876  1
  Fe  Fe70  1  0.701525  0.756251  0.551630  1
  Fe  Fe71  1  0.912794  0.645958  0.526856  1
  Fe  Fe72  1  0.875423  0.030831  0.562388  1
  Fe  Fe73  1  0.209167  0.454306  0.556619  1
  Fe  Fe74  1  0.245750  0.069865  0.520780  1
  Fe  Fe75  1  0.083663  0.508643  0.510517  1
  Fe  Fe76  1  0.046027  0.892850  0.546107  1
  Fe  Fe77  1  0.221459  0.321825  0.531495  1
  Fe  Fe78  1  0.183993  0.706335  0.567236  1
  Fe  Fe79  1  0.712291  0.469378  0.552276  1
  Fe  Fe80  1  0.750838  0.084930  0.516317  1
  Fe  Fe81  1  0.326824  0.380566  0.609366  1
  Fe  Fe82  1  0.362861  0.996107  0.573206  1
  Fe  Fe83  1  0.447183  0.081234  0.642139  1
  Fe  Fe84  1  0.484330  0.696339  0.606771  1
  Fe  Fe85  1  0.700258  0.601715  0.577235  1
  Fe  Fe86  1  0.662920  0.986836  0.612626  1
  Fe  Fe87  1  0.182549  0.551565  0.592829  1
  Fe  Fe88  1  0.145447  0.936562  0.628344  1
  Fe  Fe89  1  0.664628  0.141564  0.587035  1
  Fe  Fe90  1  0.626589  0.524605  0.623498  1
  Fe  Fe91  1  0.838780  0.414894  0.598268  1
  Fe  Fe92  1  0.801393  0.800330  0.633627  1
  Fe  Fe93  1  0.135200  0.223184  0.628017  1
  Fe  Fe94  1  0.170694  0.838871  0.592164  1
  Fe  Fe95  1  0.009513  0.278032  0.581872  1
  Fe  Fe96  1  0.970604  0.661042  0.617456  1
  Fe  Fe97  1  0.147369  0.090975  0.602699  1
  Fe  Fe98  1  0.107127  0.475503  0.638954  1
  Fe  Fe99  1  0.637741  0.238288  0.623662  1
  Fe  Fe100  1  0.676783  0.853879  0.587644  1
  Fe  Fe101  1  0.261928  0.149639  0.681425  1
  Fe  Fe102  1  0.289587  0.765176  0.644471  1
  Fe  Fe103  1  0.376623  0.852269  0.714243  1
  Fe  Fe104  1  0.408643  0.468603  0.679037  1
  Fe  Fe105  1  0.627200  0.370528  0.648821  1
  Fe  Fe106  1  0.592732  0.757288  0.684035  1
  Fe  Fe107  1  0.109768  0.320473  0.664176  1
  Fe  Fe108  1  0.069924  0.708835  0.699682  1
  Fe  Fe109  1  0.590196  0.910323  0.658394  1
  Fe  Fe110  1  0.558088  0.294484  0.694687  1
  Fe  Fe111  1  0.766813  0.182679  0.669044  1
  Fe  Fe112  1  0.725374  0.573187  0.705734  1
  Fe  Fe113  1  0.059673  0.992166  0.699223  1
  Fe  Fe114  1  0.096439  0.607722  0.663679  1
  Fe  Fe115  1  0.936723  0.047263  0.652992  1
  Fe  Fe116  1  0.900843  0.432758  0.689697  1
  Fe  Fe117  1  0.071762  0.860395  0.674146  1
  Fe  Fe118  1  0.027435  0.245263  0.710420  1
  Fe  Fe119  1  0.569314  0.009872  0.694081  1
  Fe  Fe120  1  0.601094  0.622983  0.659386  1
  C  C121  1  0.265560  0.266782  0.342040  1
  C  C122  1  0.301474  0.880586  0.307143  1
  C  C123  1  0.638540  0.134928  0.308502  1
  C  C124  1  0.597261  0.522814  0.343847  1
  C  C125  1  0.805313  0.403880  0.300758  1
  C  C126  1  0.768835  0.786782  0.336226  1
  C  C127  1  0.104144  0.042917  0.338104  1
  C  C128  1  0.138274  0.658082  0.302172  1
  C  C129  1  0.189983  0.035892  0.413983  1
  C  C130  1  0.227036  0.651118  0.378612  1
  C  C131  1  0.561958  0.906456  0.380098  1
  C  C132  1  0.524299  0.291481  0.415326  1
  C  C133  1  0.732925  0.172074  0.371785  1
  C  C134  1  0.694956  0.555840  0.407523  1
  C  C135  1  0.030061  0.811760  0.409197  1
  C  C136  1  0.067360  0.427746  0.373296  1
  C  C137  1  0.115094  0.804695  0.485436  1
  C  C138  1  0.152196  0.419986  0.449743  1
  C  C139  1  0.487400  0.675772  0.451384  1
  C  C140  1  0.450102  0.060600  0.486880  1
  C  C141  1  0.657990  0.940778  0.443271  1
  C  C142  1  0.620638  0.325162  0.478884  1
  C  C143  1  0.955811  0.580908  0.480485  1
  C  C144  1  0.993087  0.196581  0.444696  1
  C  C145  1  0.040444  0.573578  0.556875  1
  C  C146  1  0.077720  0.189251  0.521086  1
  C  C147  1  0.412892  0.444996  0.522688  1
  C  C148  1  0.375541  0.829380  0.558301  1
  C  C149  1  0.583429  0.709559  0.514691  1
  C  C150  1  0.546131  0.094387  0.550188  1
  C  C151  1  0.881335  0.350173  0.551829  1
  C  C152  1  0.918437  0.965464  0.516136  1
  C  C153  1  0.966171  0.342413  0.628276  1
  C  C154  1  0.003470  0.958399  0.592375  1
  C  C155  1  0.338575  0.214319  0.594049  1
  C  C156  1  0.300606  0.598085  0.629786  1
  C  C157  1  0.509231  0.478678  0.586245  1
  C  C158  1  0.471573  0.863702  0.621474  1
  C  C159  1  0.806495  0.119041  0.622960  1
  C  C160  1  0.843548  0.734267  0.587589  1
  C  C161  1  0.895256  0.112077  0.699400  1
  C  C162  1  0.929387  0.727242  0.663468  1
  C  C163  1  0.264696  0.983377  0.665346  1
  C  C164  1  0.228218  0.366279  0.700814  1
  C  C165  1  0.436270  0.247345  0.657725  1
  C  C166  1  0.394991  0.635230  0.693069  1
  C  C167  1  0.732057  0.889573  0.694428  1
  C  C168  1  0.767970  0.503376  0.659532  1
