# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61020965
_cell_length_b   10.46959653
_cell_length_c   49.30435042
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.39341403
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe140 C56'
_cell_volume   3397.06168492
_cell_formula_units_Z   28
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  0.413963  0.217470  0.317216  1
  Fe  Fe2  1  0.674930  0.727458  0.283440  1
  Fe  Fe3  1  0.569191  0.027493  0.317569  1
  Fe  Fe4  1  0.829955  0.539805  0.283948  1
  Fe  Fe5  1  0.937815  0.346048  0.293835  1
  Fe  Fe6  1  0.671729  0.829817  0.327753  1
  Fe  Fe7  1  0.585406  0.364192  0.276380  1
  Fe  Fe8  1  0.318158  0.840783  0.309490  1
  Fe  Fe9  1  0.926257  0.917659  0.292778  1
  Fe  Fe10  1  0.661236  0.402795  0.326268  1
  Fe  Fe11  1  0.247185  0.248483  0.273247  1
  Fe  Fe12  1  0.994129  0.719655  0.307260  1
  Fe  Fe13  1  0.589645  0.150615  0.270571  1
  Fe  Fe14  1  0.357114  0.630729  0.301346  1
  Fe  Fe15  1  0.253814  0.038513  0.294113  1
  Fe  Fe16  1  0.986729  0.520066  0.328019  1
  Fe  Fe17  1  0.575865  0.928048  0.273988  1
  Fe  Fe18  1  0.308659  0.413696  0.307714  1
  Fe  Fe19  1  0.886393  0.131306  0.299111  1
  Fe  Fe20  1  0.625939  0.613225  0.332291  1
  Fe  Fe21  1  0.884530  0.182019  0.383786  1
  Fe  Fe22  1  0.149459  0.698655  0.350441  1
  Fe  Fe23  1  0.038194  0.992370  0.384284  1
  Fe  Fe24  1  0.302711  0.509519  0.351279  1
  Fe  Fe25  1  0.407214  0.313360  0.361113  1
  Fe  Fe26  1  0.142598  0.796312  0.394314  1
  Fe  Fe27  1  0.055086  0.322809  0.342373  1
  Fe  Fe28  1  0.791753  0.806151  0.375620  1
  Fe  Fe29  1  0.393742  0.886591  0.359037  1
  Fe  Fe30  1  0.130402  0.368445  0.392739  1
  Fe  Fe31  1  0.727283  0.205215  0.340129  1
  Fe  Fe32  1  0.464874  0.688907  0.373706  1
  Fe  Fe33  1  0.091278  0.111980  0.336160  1
  Fe  Fe34  1  0.827718  0.595510  0.369414  1
  Fe  Fe35  1  0.723070  0.003250  0.360989  1
  Fe  Fe36  1  0.457425  0.486521  0.394565  1
  Fe  Fe37  1  0.047236  0.895949  0.340364  1
  Fe  Fe38  1  0.779854  0.378560  0.373965  1
  Fe  Fe39  1  0.359726  0.096523  0.365490  1
  Fe  Fe40  1  0.095165  0.579609  0.398946  1
  Fe  Fe41  1  0.354978  0.148075  0.450370  1
  Fe  Fe42  1  0.619797  0.664802  0.417043  1
  Fe  Fe43  1  0.508457  0.958555  0.450982  1
  Fe  Fe44  1  0.773287  0.475947  0.417879  1
  Fe  Fe45  1  0.877761  0.279055  0.427618  1
  Fe  Fe46  1  0.612928  0.762148  0.460942  1
  Fe  Fe47  1  0.528343  0.288753  0.408772  1
  Fe  Fe48  1  0.263131  0.772042  0.442182  1
  Fe  Fe49  1  0.864928  0.851973  0.425882  1
  Fe  Fe50  1  0.600712  0.334479  0.459316  1
  Fe  Fe51  1  0.200017  0.171120  0.407045  1
  Fe  Fe52  1  0.935491  0.654639  0.440374  1
  Fe  Fe53  1  0.562784  0.078353  0.402557  1
  Fe  Fe54  1  0.298445  0.561484  0.435910  1
  Fe  Fe55  1  0.193297  0.969220  0.427670  1
  Fe  Fe56  1  0.928145  0.452417  0.461115  1
  Fe  Fe57  1  0.515567  0.861699  0.407116  1
  Fe  Fe58  1  0.250295  0.344424  0.440532  1
  Fe  Fe59  1  0.830140  0.062289  0.432146  1
  Fe  Fe60  1  0.565460  0.545441  0.465506  1
  Fe  Fe61  1  0.825257  0.113906  0.516957  1
  Fe  Fe62  1  0.090165  0.631029  0.483702  1
  Fe  Fe63  1  0.978695  0.924643  0.517672  1
  Fe  Fe64  1  0.243603  0.441766  0.484417  1
  Fe  Fe65  1  0.348079  0.245147  0.494254  1
  Fe  Fe66  1  0.083096  0.728077  0.527600  1
  Fe  Fe67  1  0.998042  0.255011  0.475464  1
  Fe  Fe68  1  0.733544  0.737852  0.508832  1
  Fe  Fe69  1  0.335316  0.817820  0.492541  1
  Fe  Fe70  1  0.070819  0.300662  0.525910  1
  Fe  Fe71  1  0.670233  0.137209  0.473660  1
  Fe  Fe72  1  0.405660  0.620517  0.507010  1
  Fe  Fe73  1  0.033047  0.044205  0.469252  1
  Fe  Fe74  1  0.768454  0.527398  0.502578  1
  Fe  Fe75  1  0.663200  0.935155  0.494364  1
  Fe  Fe76  1  0.398627  0.418464  0.527714  1
  Fe  Fe77  1  0.985764  0.827595  0.473774  1
  Fe  Fe78  1  0.720782  0.310525  0.507120  1
  Fe  Fe79  1  0.300407  0.028274  0.498795  1
  Fe  Fe80  1  0.035813  0.511467  0.532122  1
  Fe  Fe81  1  0.295573  0.079725  0.583494  1
  Fe  Fe82  1  0.560403  0.597117  0.550392  1
  Fe  Fe83  1  0.449063  0.890871  0.584331  1
  Fe  Fe84  1  0.713882  0.407598  0.551003  1
  Fe  Fe85  1  0.818565  0.211248  0.560842  1
  Fe  Fe86  1  0.553293  0.693974  0.594257  1
  Fe  Fe87  1  0.468149  0.221193  0.542058  1
  Fe  Fe88  1  0.203933  0.703699  0.575492  1
  Fe  Fe89  1  0.805730  0.783631  0.559192  1
  Fe  Fe90  1  0.540517  0.266920  0.592602  1
  Fe  Fe91  1  0.140715  0.103256  0.540259  1
  Fe  Fe92  1  0.875563  0.586453  0.573704  1
  Fe  Fe93  1  0.503400  0.010232  0.535868  1
  Fe  Fe94  1  0.238721  0.493383  0.569228  1
  Fe  Fe95  1  0.133369  0.901033  0.561000  1
  Fe  Fe96  1  0.868843  0.384552  0.594329  1
  Fe  Fe97  1  0.455933  0.793524  0.540432  1
  Fe  Fe98  1  0.191100  0.276618  0.573756  1
  Fe  Fe99  1  0.770415  0.994188  0.565464  1
  Fe  Fe100  1  0.506076  0.477320  0.598816  1
  Fe  Fe101  1  0.766149  0.046153  0.650095  1
  Fe  Fe102  1  0.030666  0.563303  0.617090  1
  Fe  Fe103  1  0.919401  0.857018  0.650933  1
  Fe  Fe104  1  0.184330  0.373653  0.617588  1
  Fe  Fe105  1  0.289006  0.177113  0.627409  1
  Fe  Fe106  1  0.021624  0.659724  0.661010  1
  Fe  Fe107  1  0.938459  0.187228  0.608635  1
  Fe  Fe108  1  0.675119  0.669082  0.642337  1
  Fe  Fe109  1  0.277107  0.749522  0.625754  1
  Fe  Fe110  1  0.013774  0.232863  0.659001  1
  Fe  Fe111  1  0.611435  0.069151  0.606809  1
  Fe  Fe112  1  0.345790  0.552423  0.640385  1
  Fe  Fe113  1  0.973695  0.976064  0.602428  1
  Fe  Fe114  1  0.709134  0.459149  0.635883  1
  Fe  Fe115  1  0.603986  0.866766  0.627667  1
  Fe  Fe116  1  0.341578  0.350458  0.661245  1
  Fe  Fe117  1  0.926262  0.759360  0.607060  1
  Fe  Fe118  1  0.661647  0.242312  0.640261  1
  Fe  Fe119  1  0.241143  0.960162  0.631959  1
  Fe  Fe120  1  0.977582  0.443693  0.665214  1
  Fe  Fe121  1  0.238905  0.015868  0.717426  1
  Fe  Fe122  1  0.499670  0.528179  0.683805  1
  Fe  Fe123  1  0.393930  0.828215  0.717934  1
  Fe  Fe124  1  0.654897  0.338203  0.684158  1
  Fe  Fe125  1  0.760202  0.141976  0.693659  1
  Fe  Fe126  1  0.492995  0.627625  0.727386  1
  Fe  Fe127  1  0.407624  0.152878  0.675106  1
  Fe  Fe128  1  0.142604  0.638013  0.708595  1
  Fe  Fe129  1  0.750703  0.714889  0.691883  1
  Fe  Fe130  1  0.483455  0.191481  0.724994  1
  Fe  Fe131  1  0.082131  0.035607  0.673354  1
  Fe  Fe132  1  0.815046  0.517160  0.707261  1
  Fe  Fe133  1  0.442921  0.942447  0.669083  1
  Fe  Fe134  1  0.182467  0.424366  0.702263  1
  Fe  Fe135  1  0.074732  0.836018  0.694114  1
  Fe  Fe136  1  0.821675  0.307190  0.728126  1
  Fe  Fe137  1  0.397131  0.725855  0.673620  1
  Fe  Fe138  1  0.131045  0.209624  0.707539  1
  Fe  Fe139  1  0.711747  0.924943  0.700027  1
  Fe  Fe140  1  0.479215  0.405057  0.730803  1
  C  C141  1  0.136685  0.244909  0.309326  1
  C  C142  1  0.403846  0.769737  0.275927  1
  C  C143  1  0.297437  0.995914  0.331475  1
  C  C144  1  0.560930  0.511596  0.298943  1
  C  C145  1  0.684173  0.250654  0.302915  1
  C  C146  1  0.947480  0.762539  0.270030  1
  C  C147  1  0.844945  0.996929  0.325686  1
  C  C148  1  0.106729  0.513708  0.292613  1
  C  C149  1  0.608168  0.210876  0.375624  1
  C  C150  1  0.872949  0.728341  0.342547  1
  C  C151  1  0.766877  0.960509  0.398318  1
  C  C152  1  0.031491  0.477349  0.365318  1
  C  C153  1  0.155721  0.214407  0.369760  1
  C  C154  1  0.420558  0.730283  0.336322  1
  C  C155  1  0.314802  0.963536  0.392331  1
  C  C156  1  0.579547  0.481025  0.359274  1
  C  C157  1  0.078328  0.176945  0.442366  1
  C  C158  1  0.343416  0.694360  0.409044  1
  C  C159  1  0.237136  0.926373  0.464992  1
  C  C160  1  0.501913  0.443093  0.431831  1
  C  C161  1  0.626273  0.180310  0.436358  1
  C  C162  1  0.891142  0.697583  0.403073  1
  C  C163  1  0.784981  0.929591  0.459045  1
  C  C164  1  0.049923  0.446723  0.425801  1
  C  C165  1  0.548642  0.142996  0.508987  1
  C  C166  1  0.813620  0.660132  0.475686  1
  C  C167  1  0.707375  0.892272  0.531673  1
  C  C168  1  0.972284  0.409319  0.498411  1
  C  C169  1  0.096576  0.146353  0.502963  1
  C  C170  1  0.361485  0.663401  0.469700  1
  C  C171  1  0.255241  0.895540  0.525687  1
  C  C172  1  0.520218  0.412677  0.492387  1
  C  C173  1  0.018937  0.108950  0.575573  1
  C  C174  1  0.283879  0.626082  0.542328  1
  C  C175  1  0.177719  0.858089  0.598300  1
  C  C176  1  0.442587  0.375363  0.565016  1
  C  C177  1  0.566948  0.112579  0.569543  1
  C  C178  1  0.831724  0.629299  0.536382  1
  C  C179  1  0.725444  0.861313  0.592330  1
  C  C180  1  0.990533  0.378727  0.559007  1
  C  C181  1  0.489314  0.074648  0.642100  1
  C  C182  1  0.754058  0.592136  0.609042  1
  C  C183  1  0.648302  0.825390  0.665052  1
  C  C184  1  0.913139  0.341266  0.631614  1
  C  C185  1  0.037369  0.078324  0.636056  1
  C  C186  1  0.301983  0.595164  0.603056  1
  C  C187  1  0.195911  0.827331  0.658827  1
  C  C188  1  0.460692  0.344796  0.625750  1
  C  C189  1  0.962132  0.041965  0.708760  1
  C  C190  1  0.223916  0.558743  0.675688  1
  C  C191  1  0.121380  0.793133  0.731344  1
  C  C192  1  0.384688  0.305019  0.698458  1
  C  C193  1  0.507930  0.044077  0.702431  1
  C  C194  1  0.771423  0.559758  0.669899  1
  C  C195  1  0.665014  0.785936  0.725447  1
  C  C196  1  0.932175  0.310764  0.692048  1
