# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79404959
_cell_length_b   12.03064918
_cell_length_c   51.01633216
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.79748481
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe120 C48'
_cell_volume   2942.37555245
_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  0.663575  0.452416  0.290803  1
  Fe  Fe2  1  0.194463  0.856553  0.331052  1
  Fe  Fe3  1  0.833904  0.642039  0.293615  1
  Fe  Fe4  1  0.333652  0.038684  0.332263  1
  Fe  Fe5  1  0.367429  0.230270  0.333740  1
  Fe  Fe6  1  0.875683  0.828572  0.294790  1
  Fe  Fe7  1  0.149502  0.328348  0.295193  1
  Fe  Fe8  1  0.657204  0.730145  0.333369  1
  Fe  Fe9  1  0.376188  0.763951  0.291468  1
  Fe  Fe10  1  0.869614  0.168431  0.330604  1
  Fe  Fe11  1  0.832140  0.356837  0.331456  1
  Fe  Fe12  1  0.365755  0.954912  0.290764  1
  Fe  Fe13  1  0.235672  0.497881  0.313544  1
  Fe  Fe14  1  0.736014  0.900030  0.350894  1
  Fe  Fe15  1  0.695068  0.538662  0.331775  1
  Fe  Fe16  1  0.189752  0.141113  0.294213  1
  Fe  Fe17  1  0.155257  0.668524  0.329916  1
  Fe  Fe18  1  0.656295  0.262246  0.291143  1
  Fe  Fe19  1  0.307903  0.585335  0.273818  1
  Fe  Fe20  1  0.790244  -0.001541  0.312462  1
  Fe  Fe21  1  0.684293  0.257879  0.369158  1
  Fe  Fe22  1  0.189326  0.660834  0.407318  1
  Fe  Fe23  1  0.843831  0.446216  0.371185  1
  Fe  Fe24  1  0.339415  0.846003  0.409448  1
  Fe  Fe25  1  0.371602  0.034652  0.410326  1
  Fe  Fe26  1  0.873607  0.633422  0.371674  1
  Fe  Fe27  1  0.152658  0.132971  0.372023  1
  Fe  Fe28  1  0.655852  0.535276  0.410229  1
  Fe  Fe29  1  0.376157  0.570202  0.368150  1
  Fe  Fe30  1  0.870278  0.971893  0.406740  1
  Fe  Fe31  1  0.836146  0.161798  0.407902  1
  Fe  Fe32  1  0.340401  0.758569  0.368979  1
  Fe  Fe33  1  0.240667  0.303564  0.389338  1
  Fe  Fe34  1  0.739486  0.704817  0.427577  1
  Fe  Fe35  1  0.692276  0.345660  0.409044  1
  Fe  Fe36  1  0.186113  0.944344  0.371280  1
  Fe  Fe37  1  0.158971  0.472221  0.406537  1
  Fe  Fe38  1  0.652257  0.069923  0.368536  1
  Fe  Fe39  1  0.289516  0.399525  0.351037  1
  Fe  Fe40  1  0.789914  0.802398  0.389245  1
  Fe  Fe41  1  0.687436  0.062834  0.445854  1
  Fe  Fe42  1  0.189115  0.465022  0.484059  1
  Fe  Fe43  1  0.842668  0.249688  0.447854  1
  Fe  Fe44  1  0.342068  0.651190  0.486142  1
  Fe  Fe45  1  0.373853  0.839580  0.486977  1
  Fe  Fe46  1  0.873914  0.437889  0.448552  1
  Fe  Fe47  1  0.154737  0.937456  0.448704  1
  Fe  Fe48  1  0.655733  0.339863  0.487022  1
  Fe  Fe49  1  0.376964  0.374653  0.444826  1
  Fe  Fe50  1  0.874374  0.776785  0.483350  1
  Fe  Fe51  1  0.838908  0.966087  0.484398  1
  Fe  Fe52  1  0.340599  0.563589  0.445847  1
  Fe  Fe53  1  0.240698  0.107763  0.465964  1
  Fe  Fe54  1  0.741210  0.509690  0.504265  1
  Fe  Fe55  1  0.691198  0.150631  0.485959  1
  Fe  Fe56  1  0.190306  0.748353  0.447699  1
  Fe  Fe57  1  0.158115  0.276681  0.483346  1
  Fe  Fe58  1  0.654802  0.874601  0.445021  1
  Fe  Fe59  1  0.288443  0.204442  0.427729  1
  Fe  Fe60  1  0.790588  0.606785  0.465940  1
  Fe  Fe61  1  0.689514  0.867760  0.522514  1
  Fe  Fe62  1  0.188914  0.269263  0.560802  1
  Fe  Fe63  1  0.842468  0.053929  0.524597  1
  Fe  Fe64  1  0.344146  0.456116  0.562802  1
  Fe  Fe65  1  0.376780  0.644350  0.563635  1
  Fe  Fe66  1  0.873467  0.242269  0.525310  1
  Fe  Fe67  1  0.157208  0.742165  0.525306  1
  Fe  Fe68  1  0.654618  0.144298  0.563830  1
  Fe  Fe69  1  0.375849  0.179087  0.521634  1
  Fe  Fe70  1  0.876845  0.581494  0.559951  1
  Fe  Fe71  1  0.841276  0.770597  0.560956  1
  Fe  Fe72  1  0.340384  0.368319  0.522697  1
  Fe  Fe73  1  0.240994  0.912165  0.542716  1
  Fe  Fe74  1  0.743139  0.314508  0.580927  1
  Fe  Fe75  1  0.690983  0.955362  0.562809  1
  Fe  Fe76  1  0.192674  0.552863  0.524258  1
  Fe  Fe77  1  0.157669  0.081062  0.560104  1
  Fe  Fe78  1  0.657729  0.679371  0.521678  1
  Fe  Fe79  1  0.290372  0.009261  0.504390  1
  Fe  Fe80  1  0.790884  0.411187  0.542692  1
  Fe  Fe81  1  0.692167  0.672947  0.599207  1
  Fe  Fe82  1  0.187751  0.072734  0.637471  1
  Fe  Fe83  1  0.842256  0.858116  0.601338  1
  Fe  Fe84  1  0.347289  0.261072  0.639498  1
  Fe  Fe85  1  0.379325  0.449027  0.640120  1
  Fe  Fe86  1  0.872611  0.046730  0.602119  1
  Fe  Fe87  1  0.161304  0.547057  0.601915  1
  Fe  Fe88  1  0.655425  0.948748  0.640506  1
  Fe  Fe89  1  0.375730  0.983674  0.598427  1
  Fe  Fe90  1  0.878925  0.385979  0.636633  1
  Fe  Fe91  1  0.845469  0.574607  0.637376  1
  Fe  Fe92  1  0.339306  0.173290  0.599612  1
  Fe  Fe93  1  0.241668  0.716552  0.619411  1
  Fe  Fe94  1  0.742066  0.119426  0.657618  1
  Fe  Fe95  1  0.691181  0.760382  0.639677  1
  Fe  Fe96  1  0.195436  0.357153  0.600754  1
  Fe  Fe97  1  0.157975  0.885528  0.636981  1
  Fe  Fe98  1  0.659980  0.484298  0.598330  1
  Fe  Fe99  1  0.292096  0.814133  0.581078  1
  Fe  Fe100  1  0.790915  0.215387  0.619318  1
  Fe  Fe101  1  0.697930  0.480266  0.676393  1
  Fe  Fe102  1  0.197678  0.876911  0.715041  1
  Fe  Fe103  1  0.837119  0.662398  0.677604  1
  Fe  Fe104  1  0.368007  0.066534  0.717853  1
  Fe  Fe105  1  0.375287  0.256704  0.717513  1
  Fe  Fe106  1  0.876325  0.850427  0.678740  1
  Fe  Fe107  1  0.161968  0.350519  0.678052  1
  Fe  Fe108  1  0.655394  0.754999  0.717188  1
  Fe  Fe109  1  0.374378  0.788805  0.675287  1
  Fe  Fe110  1  0.882080  0.190602  0.713463  1
  Fe  Fe111  1  0.841830  0.377838  0.714443  1
  Fe  Fe112  1  0.336514  0.980288  0.676881  1
  Fe  Fe113  1  0.241338  0.520492  0.696194  1
  Fe  Fe114  1  0.723679  0.933616  0.734838  1
  Fe  Fe115  1  0.665828  0.564038  0.717892  1
  Fe  Fe116  1  0.199442  0.162113  0.677199  1
  Fe  Fe117  1  0.155899  0.690379  0.713866  1
  Fe  Fe118  1  0.664153  0.288680  0.674916  1
  Fe  Fe119  1  0.295569  0.618921  0.657761  1
  Fe  Fe120  1  0.795910  0.021069  0.695112  1
  C  C121  1  0.464921  0.366899  0.316531  1
  C  C122  1  0.985882  0.966968  0.279123  1
  C  C123  1  0.467987  0.626207  0.308524  1
  C  C124  1  0.965763  0.029702  0.347018  1
  C  C125  1  0.044217  0.468000  0.279723  1
  C  C126  1  0.562804  0.868065  0.316459  1
  C  C127  1  0.062614  0.530386  0.346679  1
  C  C128  1  0.556487  0.127912  0.309150  1
  C  C129  1  0.466684  0.172349  0.393481  1
  C  C130  1  0.970125  0.770965  0.354827  1
  C  C131  1  0.472683  0.432392  0.384988  1
  C  C132  1  0.969350  0.834450  0.423627  1
  C  C133  1  0.055724  0.271257  0.355413  1
  C  C134  1  0.559821  0.672849  0.393250  1
  C  C135  1  0.061103  0.335316  0.423607  1
  C  C136  1  0.557289  0.931856  0.385208  1
  C  C137  1  0.469057  0.977167  0.470090  1
  C  C138  1  0.970904  0.574969  0.431520  1
  C  C139  1  0.471858  0.236942  0.461798  1
  C  C140  1  0.971679  0.639103  0.500215  1
  C  C141  1  0.057814  0.075076  0.431793  1
  C  C142  1  0.559780  0.477489  0.470062  1
  C  C143  1  0.060745  0.139542  0.500334  1
  C  C144  1  0.560456  0.736955  0.461924  1
  C  C145  1  0.471126  0.781995  0.546732  1
  C  C146  1  0.970837  0.379409  0.508322  1
  C  C147  1  0.471802  0.041461  0.538593  1
  C  C148  1  0.973768  0.443875  0.576863  1
  C  C149  1  0.059903  0.879847  0.508441  1
  C  C150  1  0.559724  0.282008  0.546858  1
  C  C151  1  0.060678  0.943981  0.577136  1
  C  C152  1  0.562525  0.541784  0.538566  1
  C  C153  1  0.474294  0.587094  0.623448  1
  C  C154  1  0.970479  0.183634  0.585048  1
  C  C155  1  0.471761  0.846102  0.615406  1
  C  C156  1  0.975858  0.247693  0.653242  1
  C  C157  1  0.062232  0.684501  0.585029  1
  C  C158  1  0.558899  0.086558  0.623668  1
  C  C159  1  0.061457  0.747985  0.653828  1
  C  C160  1  0.564898  0.346601  0.615174  1
  C  C161  1  0.475095  0.391038  0.699506  1
  C  C162  1  0.968968  0.988564  0.661977  1
  C  C163  1  0.468779  0.650885  0.692196  1
  C  C164  1  0.987365  0.050950  0.728933  1
  C  C165  1  0.065819  0.489248  0.661638  1
  C  C166  1  0.563595  0.892744  0.700132  1
  C  C167  1  0.045700  0.551982  0.729533  1
  C  C168  1  0.566661  0.152052  0.692124  1
