# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75046872
_cell_length_b   14.51272313
_cell_length_c   48.84076662
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.33160411
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe150 C60'
_cell_volume   4074.90348879
_cell_formula_units_Z   30
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  0.450684  0.410223  0.304454  1
  Fe  Fe2  1  0.235544  0.813004  0.361038  1
  Fe  Fe3  1  0.344986  0.111791  0.333461  1
  Fe  Fe4  1  0.948673  0.731886  0.336012  1
  Fe  Fe5  1  0.061360  0.032093  0.307378  1
  Fe  Fe6  1  0.835774  0.433208  0.364919  1
  Fe  Fe7  1  0.624293  0.651724  0.323112  1
  Fe  Fe8  1  0.724526  0.945279  0.295812  1
  Fe  Fe9  1  0.510753  0.354654  0.351068  1
  Fe  Fe10  1  0.493567  0.526668  0.355712  1
  Fe  Fe11  1  0.606514  0.824598  0.328109  1
  Fe  Fe12  1  0.715571  0.122972  0.299313  1
  Fe  Fe13  1  0.576406  0.720489  0.370197  1
  Fe  Fe14  1  0.691078  0.018026  0.342254  1
  Fe  Fe15  1  0.801367  0.316212  0.314737  1
  Fe  Fe16  1  0.227804  0.648777  0.362414  1
  Fe  Fe17  1  0.338332  0.945288  0.334219  1
  Fe  Fe18  1  0.452309  0.245837  0.306629  1
  Fe  Fe19  1  0.165329  0.498783  0.331205  1
  Fe  Fe20  1  0.254008  0.803026  0.305693  1
  Fe  Fe21  1  0.051178  0.200612  0.358077  1
  Fe  Fe22  1  0.840695  0.598638  0.363663  1
  Fe  Fe23  1  0.958058  0.897628  0.336005  1
  Fe  Fe24  1  0.069567  0.196704  0.307785  1
  Fe  Fe25  1  0.782883  0.489193  0.319068  1
  Fe  Fe26  1  0.561347  0.892324  0.374224  1
  Fe  Fe27  1  0.673067  0.190616  0.346459  1
  Fe  Fe28  1  0.244886  0.639873  0.311573  1
  Fe  Fe29  1  0.016476  0.045496  0.366821  1
  Fe  Fe30  1  0.130386  0.343424  0.339446  1
  Fe  Fe31  1  0.118498  0.515735  0.388778  1
  Fe  Fe32  1  0.890157  0.920066  0.444235  1
  Fe  Fe33  1  0.004135  0.217852  0.416444  1
  Fe  Fe34  1  0.607422  0.837867  0.420054  1
  Fe  Fe35  1  0.720934  0.135704  0.392187  1
  Fe  Fe36  1  0.492746  0.539643  0.448053  1
  Fe  Fe37  1  0.281803  0.758564  0.406725  1
  Fe  Fe38  1  0.395483  0.056640  0.378812  1
  Fe  Fe39  1  0.166886  0.460609  0.434523  1
  Fe  Fe40  1  0.150355  0.633046  0.438832  1
  Fe  Fe41  1  0.265118  0.930722  0.410908  1
  Fe  Fe42  1  0.378139  0.228424  0.383139  1
  Fe  Fe43  1  0.232657  0.827164  0.453493  1
  Fe  Fe44  1  0.346095  0.124673  0.425713  1
  Fe  Fe45  1  0.460778  0.422318  0.398060  1
  Fe  Fe46  1  0.884730  0.755043  0.445568  1
  Fe  Fe47  1  0.998512  0.052487  0.417745  1
  Fe  Fe48  1  0.112973  0.350417  0.390079  1
  Fe  Fe49  1  0.823663  0.606044  0.414175  1
  Fe  Fe50  1  0.939660  0.903625  0.386079  1
  Fe  Fe51  1  0.708872  0.307771  0.441790  1
  Fe  Fe52  1  0.498052  0.705029  0.446630  1
  Fe  Fe53  1  0.612702  0.002659  0.418700  1
  Fe  Fe54  1  0.726335  0.300641  0.391131  1
  Fe  Fe55  1  0.444071  0.594794  0.402409  1
  Fe  Fe56  1  0.215854  0.999110  0.457691  1
  Fe  Fe57  1  0.330075  0.296823  0.429944  1
  Fe  Fe58  1  0.902478  0.747314  0.394893  1
  Fe  Fe59  1  0.673563  0.151852  0.450391  1
  Fe  Fe60  1  0.787890  0.449507  0.422765  1
  Fe  Fe61  1  0.775518  0.622327  0.472055  1
  Fe  Fe62  1  0.546955  0.026805  0.527547  1
  Fe  Fe63  1  0.660984  0.324461  0.499814  1
  Fe  Fe64  1  0.263988  0.944289  0.503479  1
  Fe  Fe65  1  0.378016  0.241945  0.475747  1
  Fe  Fe66  1  0.149454  0.646423  0.531239  1
  Fe  Fe67  1  0.938274  0.865258  0.489976  1
  Fe  Fe68  1  0.052415  0.162937  0.462243  1
  Fe  Fe69  1  0.823682  0.567357  0.517743  1
  Fe  Fe70  1  0.806962  0.739505  0.521979  1
  Fe  Fe71  1  0.921826  0.037335  0.494176  1
  Fe  Fe72  1  0.035774  0.335021  0.466497  1
  Fe  Fe73  1  0.889198  0.933729  0.536797  1
  Fe  Fe74  1  0.003146  0.231415  0.509118  1
  Fe  Fe75  1  0.118009  0.529245  0.481314  1
  Fe  Fe76  1  0.541596  0.861484  0.528827  1
  Fe  Fe77  1  0.655547  0.159284  0.501160  1
  Fe  Fe78  1  0.770379  0.457023  0.473399  1
  Fe  Fe79  1  0.480495  0.712580  0.497334  1
  Fe  Fe80  1  0.594730  0.010301  0.469543  1
  Fe  Fe81  1  0.365826  0.414581  0.525138  1
  Fe  Fe82  1  0.154593  0.811727  0.529895  1
  Fe  Fe83  1  0.269425  0.109466  0.502134  1
  Fe  Fe84  1  0.383375  0.407266  0.474467  1
  Fe  Fe85  1  0.101290  0.701393  0.485550  1
  Fe  Fe86  1  0.872557  0.105813  0.541050  1
  Fe  Fe87  1  0.986698  0.403492  0.513318  1
  Fe  Fe88  1  0.559146  0.854169  0.478156  1
  Fe  Fe89  1  0.330242  0.258449  0.533751  1
  Fe  Fe90  1  0.444477  0.556170  0.505960  1
  Fe  Fe91  1  0.432226  0.729107  0.555240  1
  Fe  Fe92  1  0.204038  0.133046  0.611107  1
  Fe  Fe93  1  0.317550  0.430883  0.583239  1
  Fe  Fe94  1  0.920837  0.050898  0.586850  1
  Fe  Fe95  1  0.034815  0.348684  0.559059  1
  Fe  Fe96  1  0.806474  0.753015  0.614516  1
  Fe  Fe97  1  0.594897  0.971927  0.573350  1
  Fe  Fe98  1  0.709118  0.269640  0.545602  1
  Fe  Fe99  1  0.480901  0.673956  0.600884  1
  Fe  Fe100  1  0.464194  0.846432  0.605233  1
  Fe  Fe101  1  0.578877  0.144077  0.577580  1
  Fe  Fe102  1  0.692315  0.441586  0.549801  1
  Fe  Fe103  1  0.546833  0.040326  0.620155  1
  Fe  Fe104  1  0.659854  0.338028  0.592385  1
  Fe  Fe105  1  0.774617  0.635704  0.564462  1
  Fe  Fe106  1  0.198636  0.968109  0.612163  1
  Fe  Fe107  1  0.312270  0.266091  0.584594  1
  Fe  Fe108  1  0.426920  0.563721  0.556664  1
  Fe  Fe109  1  0.137082  0.819243  0.580528  1
  Fe  Fe110  1  0.251409  0.116898  0.552903  1
  Fe  Fe111  1  0.022494  0.521436  0.608400  1
  Fe  Fe112  1  0.811999  0.918333  0.613214  1
  Fe  Fe113  1  0.926460  0.216263  0.585549  1
  Fe  Fe114  1  0.040242  0.513707  0.557726  1
  Fe  Fe115  1  0.758086  0.808141  0.568770  1
  Fe  Fe116  1  0.529489  0.212110  0.624482  1
  Fe  Fe117  1  0.643168  0.510186  0.596569  1
  Fe  Fe118  1  0.216100  0.960979  0.561503  1
  Fe  Fe119  1  0.985311  0.365125  0.617215  1
  Fe  Fe120  1  0.101309  0.662706  0.589119  1
  Fe  Fe121  1  0.089198  0.835542  0.638375  1
  Fe  Fe122  1  0.863612  0.236657  0.695915  1
  Fe  Fe123  1  0.976299  0.536864  0.667281  1
  Fe  Fe124  1  0.579986  0.156959  0.669833  1
  Fe  Fe125  1  0.689428  0.455746  0.642255  1
  Fe  Fe126  1  0.474288  0.858527  0.698840  1
  Fe  Fe127  1  0.251905  0.078134  0.656835  1
  Fe  Fe128  1  0.363625  0.376426  0.629070  1
  Fe  Fe129  1  0.142089  0.779557  0.684226  1
  Fe  Fe130  1  0.123605  0.952538  0.688557  1
  Fe  Fe131  1  0.233893  0.250724  0.661040  1
  Fe  Fe132  1  0.348566  0.548261  0.633096  1
  Fe  Fe133  1  0.209401  0.145778  0.703981  1
  Fe  Fe134  1  0.318458  0.444153  0.675184  1
  Fe  Fe135  1  0.431405  0.742082  0.647582  1
  Fe  Fe136  1  0.855405  0.072046  0.695509  1
  Fe  Fe137  1  0.966914  0.371122  0.667289  1
  Fe  Fe138  1  0.084277  0.670112  0.639631  1
  Fe  Fe139  1  0.794586  0.925326  0.663847  1
  Fe  Fe140  1  0.908496  0.223255  0.636473  1
  Fe  Fe141  1  0.680086  0.628877  0.691720  1
  Fe  Fe142  1  0.472663  0.022913  0.696665  1
  Fe  Fe143  1  0.586640  0.323462  0.669075  1
  Fe  Fe144  1  0.697168  0.619973  0.640880  1
  Fe  Fe145  1  0.414218  0.914096  0.652225  1
  Fe  Fe146  1  0.200446  0.323472  0.707481  1
  Fe  Fe147  1  0.300678  0.617026  0.680182  1
  Fe  Fe148  1  0.873794  0.068138  0.645217  1
  Fe  Fe149  1  0.670964  0.465724  0.697600  1
  Fe  Fe150  1  0.759643  0.769967  0.672089  1
  C  C151  1  0.463523  0.536179  0.316631  1
  C  C152  1  0.239326  0.940488  0.371789  1
  C  C153  1  0.350381  0.239373  0.344066  1
  C  C154  1  0.026054  0.411843  0.306032  1
  C  C155  1  0.804220  0.814736  0.361205  1
  C  C156  1  0.914235  0.113448  0.332776  1
  C  C157  1  0.381199  0.728736  0.336374  1
  C  C158  1  0.492954  0.027702  0.308972  1
  C  C159  1  0.267683  0.431457  0.364436  1
  C  C160  1  0.947133  0.603405  0.326396  1
  C  C161  1  0.050853  0.903276  0.298232  1
  C  C162  1  0.831373  0.306106  0.353805  1
  C  C163  1  0.122720  0.642994  0.399735  1
  C  C164  1  0.893574  0.047427  0.455085  1
  C  C165  1  0.007818  0.345113  0.427404  1
  C  C166  1  0.687006  0.517394  0.389324  1
  C  C167  1  0.459034  0.921958  0.444527  1
  C  C168  1  0.572799  0.219394  0.416809  1
  C  C169  1  0.038669  0.835882  0.419804  1
  C  C170  1  0.151733  0.133512  0.391979  1
  C  C171  1  0.924237  0.538034  0.447677  1
  C  C172  1  0.603291  0.710405  0.409306  1
  C  C173  1  0.717935  0.008315  0.381374  1
  C  C174  1  0.488844  0.412321  0.437153  1
  C  C175  1  0.779385  0.749709  0.482886  1
  C  C176  1  0.550364  0.154080  0.538489  1
  C  C177  1  0.664720  0.451787  0.510706  1
  C  C178  1  0.344251  0.624133  0.472390  1
  C  C179  1  0.115568  0.028577  0.527889  1
  C  C180  1  0.229619  0.326184  0.500174  1
  C  C181  1  0.695352  0.942566  0.503120  1
  C  C182  1  0.809404  0.240173  0.475405  1
  C  C183  1  0.580721  0.644618  0.530904  1
  C  C184  1  0.260251  0.816963  0.492588  1
  C  C185  1  0.374607  0.114670  0.464805  1
  C  C186  1  0.145587  0.519042  0.520408  1
  C  C187  1  0.436127  0.856429  0.566141  1
  C  C188  1  0.207037  0.260435  0.621920  1
  C  C189  1  0.321681  0.558345  0.593987  1
  C  C190  1  0.000735  0.730716  0.555617  1
  C  C191  1  0.773239  0.135238  0.611315  1
  C  C192  1  0.886303  0.432868  0.583489  1
  C  C193  1  0.352173  0.049356  0.586485  1
  C  C194  1  0.465938  0.346792  0.558766  1
  C  C195  1  0.237966  0.751356  0.613970  1
  C  C196  1  0.917154  0.923637  0.575889  1
  C  C197  1  0.031398  0.221323  0.548209  1
  C  C198  1  0.802252  0.625756  0.603558  1
  C  C199  1  0.093599  0.962644  0.649489  1
  C  C200  1  0.874119  0.365474  0.705061  1
  C  C201  1  0.977838  0.665345  0.676898  1
  C  C202  1  0.657289  0.837293  0.638858  1
  C  C203  1  0.432018  0.241048  0.694321  1
  C  C204  1  0.543773  0.540014  0.666920  1
  C  C205  1  0.010737  0.155302  0.670518  1
  C  C206  1  0.120752  0.454014  0.642089  1
  C  C207  1  0.898918  0.856907  0.697261  1
  C  C208  1  0.574591  0.029377  0.659228  1
  C  C209  1  0.685646  0.328262  0.631505  1
  C  C210  1  0.461449  0.732572  0.686662  1
