# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79591803
_cell_length_b   14.89681287
_cell_length_c   47.45874110
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe140 C56'
_cell_volume   3390.63723768
_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  0.429811  0.805017  0.279176  1
  Fe  Fe2  1  0.904525  0.552401  0.297382  1
  Fe  Fe3  1  0.605760  0.764755  0.326939  1
  Fe  Fe4  1  0.110638  0.810763  0.319525  1
  Fe  Fe5  1  0.896237  0.701828  0.284783  1
  Fe  Fe6  1  0.391406  0.654350  0.293250  1
  Fe  Fe7  1  0.571925  0.911156  0.313585  1
  Fe  Fe8  1  0.073715  0.664744  0.332602  1
  Fe  Fe9  1  0.973324  0.039147  0.323440  1
  Fe  Fe10  1  0.020648  0.927814  0.289130  1
  Fe  Fe11  1  0.929811  0.305017  0.279176  1
  Fe  Fe12  1  0.404525  0.052401  0.297382  1
  Fe  Fe13  1  0.105760  0.264755  0.326939  1
  Fe  Fe14  1  0.610638  0.310763  0.319525  1
  Fe  Fe15  1  0.396237  0.201828  0.284783  1
  Fe  Fe16  1  0.891406  0.154350  0.293250  1
  Fe  Fe17  1  0.071925  0.411156  0.313585  1
  Fe  Fe18  1  0.573715  0.164744  0.332602  1
  Fe  Fe19  1  0.473324  0.539147  0.323440  1
  Fe  Fe20  1  0.520648  0.427814  0.289130  1
  Fe  Fe21  1  0.427930  0.022526  0.345986  1
  Fe  Fe22  1  0.922870  0.774823  0.365722  1
  Fe  Fe23  1  0.607577  0.985868  0.393543  1
  Fe  Fe24  1  0.109876  0.031543  0.385593  1
  Fe  Fe25  1  0.890292  0.921227  0.352521  1
  Fe  Fe26  1  0.390225  0.875458  0.360246  1
  Fe  Fe27  1  0.575892  0.132206  0.380323  1
  Fe  Fe28  1  0.073764  0.885386  0.399190  1
  Fe  Fe29  1  0.974153  0.258726  0.389682  1
  Fe  Fe30  1  0.025566  0.148270  0.356192  1
  Fe  Fe31  1  0.927930  0.522526  0.345986  1
  Fe  Fe32  1  0.422870  0.274823  0.365722  1
  Fe  Fe33  1  0.107577  0.485868  0.393543  1
  Fe  Fe34  1  0.609876  0.531543  0.385593  1
  Fe  Fe35  1  0.390292  0.421227  0.352521  1
  Fe  Fe36  1  0.890225  0.375458  0.360246  1
  Fe  Fe37  1  0.075892  0.632206  0.380323  1
  Fe  Fe38  1  0.573764  0.385386  0.399190  1
  Fe  Fe39  1  0.474153  0.758726  0.389682  1
  Fe  Fe40  1  0.525566  0.648270  0.356192  1
  Fe  Fe41  1  0.424545  0.242658  0.413339  1
  Fe  Fe42  1  0.923706  -0.004041  0.432323  1
  Fe  Fe43  1  0.608272  0.206961  0.460185  1
  Fe  Fe44  1  0.108877  0.252776  0.452180  1
  Fe  Fe45  1  0.891583  0.142282  0.418962  1
  Fe  Fe46  1  0.390454  0.096355  0.426888  1
  Fe  Fe47  1  0.575337  0.353270  0.446775  1
  Fe  Fe48  1  0.074771  0.106507  0.465690  1
  Fe  Fe49  1  0.974528  0.479891  0.456191  1
  Fe  Fe50  1  0.024552  0.369279  0.422899  1
  Fe  Fe51  1  0.924545  0.742658  0.413339  1
  Fe  Fe52  1  0.423706  0.495959  0.432323  1
  Fe  Fe53  1  0.108272  0.706961  0.460185  1
  Fe  Fe54  1  0.608877  0.752776  0.452180  1
  Fe  Fe55  1  0.391583  0.642282  0.418962  1
  Fe  Fe56  1  0.890454  0.596355  0.426888  1
  Fe  Fe57  1  0.075337  0.853270  0.446775  1
  Fe  Fe58  1  0.574771  0.606507  0.465690  1
  Fe  Fe59  1  0.474528  0.979891  0.456191  1
  Fe  Fe60  1  0.524552  0.869279  0.422899  1
  Fe  Fe61  1  0.424315  0.463823  0.479972  1
  Fe  Fe62  1  0.923915  0.217110  0.498924  1
  Fe  Fe63  1  0.608198  0.428116  0.526745  1
  Fe  Fe64  1  0.108638  0.473968  0.518766  1
  Fe  Fe65  1  0.890984  0.363384  0.485497  1
  Fe  Fe66  1  0.390544  0.317533  0.493475  1
  Fe  Fe67  1  0.575267  0.574390  0.513318  1
  Fe  Fe68  1  0.074867  0.327677  0.532270  1
  Fe  Fe69  1  0.974560  0.701048  0.522772  1
  Fe  Fe70  1  0.024622  0.590453  0.489470  1
  Fe  Fe71  1  0.924315  0.963823  0.479972  1
  Fe  Fe72  1  0.423915  0.717110  0.498924  1
  Fe  Fe73  1  0.108198  0.928116  0.526745  1
  Fe  Fe74  1  0.608638  0.973968  0.518766  1
  Fe  Fe75  1  0.390984  0.863384  0.485497  1
  Fe  Fe76  1  0.890544  0.817533  0.493475  1
  Fe  Fe77  1  0.075267  0.074390  0.513318  1
  Fe  Fe78  1  0.574867  0.827677  0.532270  1
  Fe  Fe79  1  0.474560  0.201048  0.522772  1
  Fe  Fe80  1  0.524622  0.090453  0.489470  1
  Fe  Fe81  1  0.424410  0.684993  0.546551  1
  Fe  Fe82  1  0.923845  0.438230  0.565466  1
  Fe  Fe83  1  0.607599  0.649218  0.593280  1
  Fe  Fe84  1  0.108728  0.695145  0.585354  1
  Fe  Fe85  1  0.890910  0.584539  0.552057  1
  Fe  Fe86  1  0.390304  0.538724  0.560062  1
  Fe  Fe87  1  0.575476  0.795541  0.579919  1
  Fe  Fe88  1  0.074637  0.548843  0.598902  1
  Fe  Fe89  1  0.974629  0.922221  0.589342  1
  Fe  Fe90  1  0.024654  0.811609  0.556051  1
  Fe  Fe91  1  0.924410  0.184993  0.546551  1
  Fe  Fe92  1  0.423845  0.938230  0.565466  1
  Fe  Fe93  1  0.107599  0.149218  0.593280  1
  Fe  Fe94  1  0.608728  0.195145  0.585354  1
  Fe  Fe95  1  0.390910  0.084539  0.552057  1
  Fe  Fe96  1  0.890304  0.038724  0.560062  1
  Fe  Fe97  1  0.075476  0.295541  0.579919  1
  Fe  Fe98  1  0.574637  0.048843  0.598902  1
  Fe  Fe99  1  0.474629  0.422221  0.589342  1
  Fe  Fe100  1  0.524654  0.311609  0.556051  1
  Fe  Fe101  1  0.425418  0.906115  0.613052  1
  Fe  Fe102  1  0.923290  0.659294  0.631919  1
  Fe  Fe103  1  0.608890  0.870273  0.659720  1
  Fe  Fe104  1  0.108957  0.916042  0.651996  1
  Fe  Fe105  1  0.891605  0.805633  0.618699  1
  Fe  Fe106  1  0.389306  0.759957  0.626649  1
  Fe  Fe107  1  0.576312  0.016678  0.646519  1
  Fe  Fe108  1  0.071252  0.768975  0.666256  1
  Fe  Fe109  1  0.973615  0.143231  0.656050  1
  Fe  Fe110  1  0.025029  0.032774  0.622560  1
  Fe  Fe111  1  0.925418  0.406115  0.613052  1
  Fe  Fe112  1  0.423290  0.159294  0.631919  1
  Fe  Fe113  1  0.108890  0.370273  0.659720  1
  Fe  Fe114  1  0.608957  0.416042  0.651996  1
  Fe  Fe115  1  0.391605  0.305633  0.618699  1
  Fe  Fe116  1  0.889306  0.259957  0.626649  1
  Fe  Fe117  1  0.076312  0.516678  0.646519  1
  Fe  Fe118  1  0.571252  0.268975  0.666256  1
  Fe  Fe119  1  0.473615  0.643231  0.656050  1
  Fe  Fe120  1  0.525029  0.532774  0.622560  1
  Fe  Fe121  1  0.425467  0.126757  0.679640  1
  Fe  Fe122  1  0.927257  0.880344  0.698657  1
  Fe  Fe123  1  0.602945  0.089672  0.727459  1
  Fe  Fe124  1  0.107776  0.137150  0.718992  1
  Fe  Fe125  1  0.893422  0.026746  0.685303  1
  Fe  Fe126  1  0.388544  0.980737  0.692717  1
  Fe  Fe127  1  0.594656  0.239099  0.714860  1
  Fe  Fe128  1  0.069371  0.986483  0.733066  1
  Fe  Fe129  1  0.978534  0.363686  0.723112  1
  Fe  Fe130  1  0.025857  0.252353  0.688802  1
  Fe  Fe131  1  0.925467  0.626757  0.679640  1
  Fe  Fe132  1  0.427257  0.380344  0.698657  1
  Fe  Fe133  1  0.102945  0.589672  0.727459  1
  Fe  Fe134  1  0.607776  0.637150  0.718992  1
  Fe  Fe135  1  0.393422  0.526746  0.685303  1
  Fe  Fe136  1  0.888544  0.480737  0.692717  1
  Fe  Fe137  1  0.094656  0.739099  0.714860  1
  Fe  Fe138  1  0.569371  0.486483  0.733066  1
  Fe  Fe139  1  0.478534  0.863686  0.723112  1
  Fe  Fe140  1  0.525857  0.752353  0.688802  1
  C  C141  1  0.705813  0.642999  0.318100  1
  C  C142  1  0.202062  0.933853  0.327396  1
  C  C143  1  0.795666  0.822520  0.294770  1
  C  C144  1  0.284797  0.531828  0.286440  1
  C  C145  1  0.205813  0.142999  0.318100  1
  C  C146  1  0.702062  0.433853  0.327396  1
  C  C147  1  0.295666  0.322520  0.294770  1
  C  C148  1  0.784797  0.031828  0.286440  1
  C  C149  1  0.704141  0.863504  0.385147  1
  C  C150  1  0.204945  0.154027  0.393986  1
  C  C151  1  0.794807  0.043701  0.360861  1
  C  C152  1  0.293947  0.752875  0.352096  1
  C  C153  1  0.204141  0.363504  0.385147  1
  C  C154  1  0.704945  0.654027  0.393986  1
  C  C155  1  0.294807  0.543701  0.360861  1
  C  C156  1  0.793947  0.252875  0.352096  1
  C  C157  1  0.704847  0.084636  0.451733  1
  C  C158  1  0.204990  0.375160  0.460606  1
  C  C159  1  0.794164  0.264561  0.427381  1
  C  C160  1  0.293987  0.973983  0.418483  1
  C  C161  1  0.204847  0.584636  0.451733  1
  C  C162  1  0.704990  0.875160  0.460606  1
  C  C163  1  0.294164  0.764561  0.427381  1
  C  C164  1  0.793987  0.473983  0.418483  1
  C  C165  1  0.704926  0.305784  0.518320  1
  C  C166  1  0.205075  0.596329  0.527188  1
  C  C167  1  0.794256  0.485716  0.493922  1
  C  C168  1  0.294107  0.195171  0.485054  1
  C  C169  1  0.204926  0.805784  0.518320  1
  C  C170  1  0.705075  0.096329  0.527188  1
  C  C171  1  0.294256  0.985716  0.493922  1
  C  C172  1  0.794107  0.695171  0.485054  1
  C  C173  1  0.705017  0.526939  0.584861  1
  C  C174  1  0.205195  0.817517  0.593759  1
  C  C175  1  0.794335  0.706864  0.560509  1
  C  C176  1  0.294191  0.416340  0.551636  1
  C  C177  1  0.205017  0.026939  0.584861  1
  C  C178  1  0.705195  0.317517  0.593759  1
  C  C179  1  0.294335  0.206864  0.560509  1
  C  C180  1  0.794191  0.916340  0.551636  1
  C  C181  1  0.704374  0.747800  0.651381  1
  C  C182  1  0.205235  0.038626  0.660145  1
  C  C183  1  0.795041  0.927997  0.627095  1
  C  C184  1  0.294236  0.637473  0.618256  1
  C  C185  1  0.204374  0.247800  0.651381  1
  C  C186  1  0.705235  0.538626  0.660145  1
  C  C187  1  0.295041  0.427997  0.627095  1
  C  C188  1  0.794236  0.137473  0.618256  1
  C  C189  1  0.703516  0.968980  0.717472  1
  C  C190  1  0.214385  0.259672  0.725802  1
  C  C191  1  0.793369  0.148501  0.694142  1
  C  C192  1  0.297120  0.857647  0.684846  1
  C  C193  1  0.203516  0.468980  0.717472  1
  C  C194  1  0.714385  0.759672  0.725802  1
  C  C195  1  0.293369  0.648501  0.694142  1
  C  C196  1  0.797120  0.357647  0.684846  1
