# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.49851171
_cell_length_b   5.75106209
_cell_length_c   46.24974296
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.55412202
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe150 C60'
_cell_volume   3732.63989076
_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  0.393321  0.645022  0.283100  1
  Fe  Fe2  1  0.008179  0.834416  0.344277  1
  Fe  Fe3  1  0.701320  0.733126  0.314436  1
  Fe  Fe4  1  0.052890  0.481431  0.352512  1
  Fe  Fe5  1  0.745378  0.380609  0.321756  1
  Fe  Fe6  1  0.435244  0.272322  0.290964  1
  Fe  Fe7  1  0.174608  0.870370  0.281107  1
  Fe  Fe8  1  0.789822  0.063609  0.341681  1
  Fe  Fe9  1  0.482944  0.967168  0.311464  1
  Fe  Fe10  1  0.311264  0.983838  0.316735  1
  Fe  Fe11  1  0.006377  0.896984  0.286553  1
  Fe  Fe12  1  0.619412  0.078431  0.346396  1
  Fe  Fe13  1  0.134892  0.134686  0.319798  1
  Fe  Fe14  1  0.830832  0.039942  0.288779  1
  Fe  Fe15  1  0.440042  0.236441  0.349480  1
  Fe  Fe16  1  0.172505  0.838561  0.345531  1
  Fe  Fe17  1  0.867487  0.740870  0.315352  1
  Fe  Fe18  1  0.561275  0.652308  0.283689  1
  Fe  Fe19  1  0.297361  0.594688  0.328416  1
  Fe  Fe20  1  0.990658  0.494725  0.298774  1
  Fe  Fe21  1  0.604855  0.690338  0.358216  1
  Fe  Fe22  1  0.271999  0.284527  0.289736  1
  Fe  Fe23  1  0.887138  0.475287  0.351028  1
  Fe  Fe24  1  0.579024  0.377452  0.320698  1
  Fe  Fe25  1  0.271376  0.249645  0.354178  1
  Fe  Fe26  1  0.963940  0.153013  0.324964  1
  Fe  Fe27  1  0.658004  0.060280  0.293591  1
  Fe  Fe28  1  0.148864  0.524949  0.307602  1
  Fe  Fe29  1  0.839588  0.428571  0.277477  1
  Fe  Fe30  1  0.456101  0.623158  0.337490  1
  Fe  Fe31  1  0.315379  0.932268  0.374436  1
  Fe  Fe32  1  0.929312  0.129728  0.435202  1
  Fe  Fe33  1  0.622381  0.031448  0.404677  1
  Fe  Fe34  1  0.973535  0.775667  0.443366  1
  Fe  Fe35  1  0.666304  0.676854  0.412838  1
  Fe  Fe36  1  0.359436  0.578951  0.382565  1
  Fe  Fe37  1  0.097184  0.164046  0.372338  1
  Fe  Fe38  1  0.711050  0.360422  0.432874  1
  Fe  Fe39  1  0.404130  0.262679  0.402489  1
  Fe  Fe40  1  0.233611  0.277415  0.407280  1
  Fe  Fe41  1  0.926278  0.179223  0.377116  1
  Fe  Fe42  1  0.540712  0.375661  0.437493  1
  Fe  Fe43  1  0.055431  0.431408  0.410533  1
  Fe  Fe44  1  0.748383  0.332516  0.380150  1
  Fe  Fe45  1  0.362624  0.529981  0.440842  1
  Fe  Fe46  1  0.094933  0.134824  0.436497  1
  Fe  Fe47  1  0.787325  0.035834  0.406168  1
  Fe  Fe48  1  0.481100  0.938849  0.375590  1
  Fe  Fe49  1  0.218763  0.888781  0.419366  1
  Fe  Fe50  1  0.911545  0.790302  0.389266  1
  Fe  Fe51  1  0.525683  0.987306  0.449567  1
  Fe  Fe52  1  0.194057  0.574373  0.381399  1
  Fe  Fe53  1  0.808125  0.770437  0.441972  1
  Fe  Fe54  1  0.501375  0.672380  0.411484  1
  Fe  Fe55  1  0.191924  0.545144  0.445527  1
  Fe  Fe56  1  0.884642  0.446248  0.415314  1
  Fe  Fe57  1  0.577482  0.347980  0.384743  1
  Fe  Fe58  1  0.070315  0.820166  0.398422  1
  Fe  Fe59  1  0.762860  0.720454  0.368042  1
  Fe  Fe60  1  0.377471  0.918611  0.428677  1
  Fe  Fe61  1  0.236503  0.228443  0.465417  1
  Fe  Fe62  1  0.850313  0.424953  0.526147  1
  Fe  Fe63  1  0.543474  0.326791  0.495811  1
  Fe  Fe64  1  0.894513  0.071084  0.534376  1
  Fe  Fe65  1  0.587542  0.972737  0.503982  1
  Fe  Fe66  1  0.280703  0.874574  0.473646  1
  Fe  Fe67  1  0.018142  0.458991  0.463268  1
  Fe  Fe68  1  0.632103  0.656070  0.523987  1
  Fe  Fe69  1  0.325314  0.558008  0.493546  1
  Fe  Fe70  1  0.154591  0.572910  0.498299  1
  Fe  Fe71  1  0.847425  0.473870  0.467963  1
  Fe  Fe72  1  0.461810  0.671131  0.528638  1
  Fe  Fe73  1  0.976425  0.726617  0.501494  1
  Fe  Fe74  1  0.669206  0.628396  0.471155  1
  Fe  Fe75  1  0.283591  0.825657  0.531831  1
  Fe  Fe76  1  0.015846  0.430049  0.527463  1
  Fe  Fe77  1  0.708574  0.331713  0.497153  1
  Fe  Fe78  1  0.401900  0.233496  0.466797  1
  Fe  Fe79  1  0.139739  0.184277  0.510414  1
  Fe  Fe80  1  0.832586  0.085461  0.480090  1
  Fe  Fe81  1  0.446855  0.282866  0.540728  1
  Fe  Fe82  1  0.115170  0.869479  0.472331  1
  Fe  Fe83  1  0.729116  0.066031  0.532996  1
  Fe  Fe84  1  0.422442  0.967814  0.502640  1
  Fe  Fe85  1  0.112874  0.840536  0.536525  1
  Fe  Fe86  1  0.805702  0.741519  0.506248  1
  Fe  Fe87  1  0.498913  0.643457  0.475806  1
  Fe  Fe88  1  0.991277  0.115250  0.489380  1
  Fe  Fe89  1  0.684161  0.016661  0.459066  1
  Fe  Fe90  1  0.298430  0.214066  0.519703  1
  Fe  Fe91  1  0.157481  0.523860  0.556427  1
  Fe  Fe92  1  0.771580  0.720577  0.617229  1
  Fe  Fe93  1  0.464712  0.622673  0.586956  1
  Fe  Fe94  1  0.815637  0.367259  0.625358  1
  Fe  Fe95  1  0.508635  0.268080  0.595116  1
  Fe  Fe96  1  0.201704  0.169799  0.564592  1
  Fe  Fe97  1  0.939092  0.754383  0.554267  1
  Fe  Fe98  1  0.553534  0.951547  0.615050  1
  Fe  Fe99  1  0.246374  0.853279  0.584480  1
  Fe  Fe100  1  0.075585  0.868119  0.589261  1
  Fe  Fe101  1  0.768392  0.769546  0.558951  1
  Fe  Fe102  1  0.382633  0.967011  0.619643  1
  Fe  Fe103  1  0.897405  0.022112  0.592514  1
  Fe  Fe104  1  0.590304  0.923866  0.562300  1
  Fe  Fe105  1  0.204738  0.120304  0.622677  1
  Fe  Fe106  1  0.936959  0.725154  0.618394  1
  Fe  Fe107  1  0.629641  0.627147  0.588309  1
  Fe  Fe108  1  0.322891  0.529090  0.557821  1
  Fe  Fe109  1  0.060701  0.479361  0.601371  1
  Fe  Fe110  1  0.753545  0.380917  0.571116  1
  Fe  Fe111  1  0.368156  0.579074  0.631751  1
  Fe  Fe112  1  0.036083  0.164703  0.563296  1
  Fe  Fe113  1  0.649916  0.360678  0.624203  1
  Fe  Fe114  1  0.343691  0.263693  0.593625  1
  Fe  Fe115  1  0.033832  0.135482  0.627455  1
  Fe  Fe116  1  0.726886  0.036848  0.597304  1
  Fe  Fe117  1  0.419966  0.939105  0.566919  1
  Fe  Fe118  1  0.912253  0.410747  0.580427  1
  Fe  Fe119  1  0.605333  0.312221  0.550226  1
  Fe  Fe120  1  0.219471  0.509225  0.610527  1
  Fe  Fe121  1  0.078126  0.818096  0.647281  1
  Fe  Fe122  1  0.695772  0.027205  0.708830  1
  Fe  Fe123  1  0.385638  0.918918  0.678037  1
  Fe  Fe124  1  0.737695  0.654505  0.716694  1
  Fe  Fe125  1  0.429696  0.566401  0.685357  1
  Fe  Fe126  1  0.122837  0.465111  0.655516  1
  Fe  Fe127  1  0.859640  0.049882  0.645615  1
  Fe  Fe128  1  0.473012  0.239247  0.706203  1
  Fe  Fe129  1  0.167076  0.146514  0.674830  1
  Fe  Fe130  1  0.996124  0.164841  0.679995  1
  Fe  Fe131  1  0.690974  0.063086  0.650313  1
  Fe  Fe132  1  0.300184  0.259585  0.711014  1
  Fe  Fe133  1  0.819752  0.315689  0.683058  1
  Fe  Fe134  1  0.511604  0.221096  0.653398  1
  Fe  Fe135  1  0.124640  0.402543  0.713241  1
  Fe  Fe136  1  0.859017  0.015000  0.710057  1
  Fe  Fe137  1  0.551992  0.922075  0.679095  1
  Fe  Fe138  1  0.243878  0.824240  0.648765  1
  Fe  Fe139  1  0.982152  0.774579  0.692191  1
  Fe  Fe140  1  0.674915  0.676369  0.662303  1
  Fe  Fe141  1  0.291428  0.870956  0.722316  1
  Fe  Fe142  1  0.958511  0.460966  0.654262  1
  Fe  Fe143  1  0.569741  0.647220  0.716104  1
  Fe  Fe144  1  0.263529  0.558657  0.684441  1
  Fe  Fe145  1  0.956408  0.429157  0.718686  1
  Fe  Fe146  1  0.648072  0.332359  0.688330  1
  Fe  Fe147  1  0.341194  0.235918  0.658113  1
  Fe  Fe148  1  0.833655  0.704839  0.671378  1
  Fe  Fe149  1  0.526161  0.609189  0.641577  1
  Fe  Fe150  1  0.140358  0.804803  0.701019  1
  C  C151  1  0.272827  0.713874  0.291088  1
  C  C152  1  0.888073  0.907402  0.351726  1
  C  C153  1  0.581044  0.808374  0.320744  1
  C  C154  1  0.357774  0.337026  0.322171  1
  C  C155  1  0.051264  0.236729  0.293131  1
  C  C156  1  0.665188  0.431129  0.353012  1
  C  C157  1  0.087522  0.781986  0.312915  1
  C  C158  1  0.781977  0.691936  0.282897  1
  C  C159  1  0.395356  0.880971  0.343183  1
  C  C160  1  0.172813  0.407408  0.345063  1
  C  C161  1  0.866024  0.309443  0.314612  1
  C  C162  1  0.558079  0.212659  0.284222  1
  C  C163  1  0.195384  0.006037  0.381821  1
  C  C164  1  0.809059  0.202301  0.442538  1
  C  C165  1  0.502207  0.104430  0.412024  1
  C  C166  1  0.279672  0.631080  0.413840  1
  C  C167  1  0.972248  0.532413  0.383598  1
  C  C168  1  0.586448  0.729321  0.444066  1
  C  C169  1  0.009446  0.077844  0.404022  1
  C  C170  1  0.702552  0.979329  0.373515  1
  C  C171  1  0.316699  0.176492  0.434252  1
  C  C172  1  0.093724  0.702938  0.435964  1
  C  C173  1  0.786555  0.603977  0.405600  1
  C  C174  1  0.479635  0.506613  0.375066  1
  C  C175  1  0.116376  0.301394  0.472862  1
  C  C176  1  0.730143  0.497773  0.533553  1
  C  C177  1  0.423324  0.399811  0.503181  1
  C  C178  1  0.200573  0.926517  0.504827  1
  C  C179  1  0.893299  0.827457  0.474526  1
  C  C180  1  0.507590  0.024859  0.535202  1
  C  C181  1  0.930443  0.373011  0.494966  1
  C  C182  1  0.623426  0.274668  0.464592  1
  C  C183  1  0.237717  0.472070  0.525268  1
  C  C184  1  0.014640  0.998133  0.526932  1
  C  C185  1  0.707692  0.899716  0.496612  1
  C  C186  1  0.400873  0.801754  0.466241  1
  C  C187  1  0.037292  0.596589  0.563829  1
  C  C188  1  0.651381  0.792914  0.624728  1
  C  C189  1  0.344461  0.695550  0.594194  1
  C  C190  1  0.121570  0.221683  0.595772  1
  C  C191  1  0.814317  0.123035  0.565541  1
  C  C192  1  0.428464  0.320198  0.626278  1
  C  C193  1  0.851344  0.668447  0.585953  1
  C  C194  1  0.544568  0.570206  0.555728  1
  C  C195  1  0.158768  0.767114  0.616196  1
  C  C196  1  0.935632  0.293490  0.617972  1
  C  C197  1  0.628809  0.195097  0.587770  1
  C  C198  1  0.321957  0.097227  0.557256  1
  C  C199  1  0.958203  0.892119  0.654730  1
  C  C200  1  0.572937  0.086869  0.715571  1
  C  C201  1  0.264992  0.990084  0.685182  1
  C  C202  1  0.043494  0.517541  0.686878  1
  C  C203  1  0.735660  0.418557  0.656610  1
  C  C204  1  0.349039  0.607591  0.716896  1
  C  C205  1  0.773242  0.962501  0.677622  1
  C  C206  1  0.465828  0.868398  0.646782  1
  C  C207  1  0.079752  0.062798  0.706662  1
  C  C208  1  0.858189  0.585653  0.708705  1
  C  C209  1  0.549972  0.491153  0.679050  1
  C  C210  1  0.242943  0.392125  0.648068  1
