# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56448045
_cell_length_b   14.15945640
_cell_length_c   47.47913305
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.52021444
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe120 C48'
_cell_volume   3054.37185063
_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  0.741609  0.778251  0.360932  1
  Fe  Fe2  1  0.816978  0.005254  0.286128  1
  Fe  Fe3  1  0.775771  0.395779  0.324195  1
  Fe  Fe4  1  0.607022  0.531343  0.340836  1
  Fe  Fe5  1  0.573397  0.917536  0.377692  1
  Fe  Fe6  1  0.642867  0.145882  0.302765  1
  Fe  Fe7  1  0.398075  0.642034  0.366394  1
  Fe  Fe8  1  0.472936  0.869616  0.292372  1
  Fe  Fe9  1  0.433431  0.258039  0.329227  1
  Fe  Fe10  1  0.880683  0.591816  0.382707  1
  Fe  Fe11  1  0.950095  0.821179  0.308620  1
  Fe  Fe12  1  0.916161  0.208037  0.345167  1
  Fe  Fe13  1  0.471278  0.718089  0.318893  1
  Fe  Fe14  1  0.436371  0.102998  0.355405  1
  Fe  Fe15  1  0.515234  0.333195  0.281273  1
  Fe  Fe16  1  0.253384  0.813343  0.349676  1
  Fe  Fe17  1  0.216633  0.198005  0.386111  1
  Fe  Fe18  1  0.280897  0.428849  0.311368  1
  Fe  Fe19  1  0.973450  0.568464  0.298260  1
  Fe  Fe20  1  0.941914  0.955388  0.334244  1
  Fe  Fe21  1  0.905664  0.340173  0.371307  1
  Fe  Fe22  1  0.096435  0.497351  0.352086  1
  Fe  Fe23  1  0.166294  0.726175  0.277288  1
  Fe  Fe24  1  0.134694  0.109882  0.313790  1
  Fe  Fe25  1  0.952922  0.668230  0.335244  1
  Fe  Fe26  1  0.916909  0.053968  0.371449  1
  Fe  Fe27  1  0.984836  0.284034  0.297595  1
  Fe  Fe28  1  0.483350  0.586452  0.292849  1
  Fe  Fe29  1  0.446813  0.970930  0.329705  1
  Fe  Fe30  1  0.408438  0.355503  0.366715  1
  Fe  Fe31  1  0.631184  0.932741  0.471705  1
  Fe  Fe32  1  0.704556  0.163688  0.397624  1
  Fe  Fe33  1  0.668233  0.547827  0.434842  1
  Fe  Fe34  1  0.498664  0.685858  0.451716  1
  Fe  Fe35  1  0.461377  0.070130  0.488639  1
  Fe  Fe36  1  0.534882  0.300651  0.414614  1
  Fe  Fe37  1  0.287160  0.796091  0.477362  1
  Fe  Fe38  1  0.361379  0.027055  0.403236  1
  Fe  Fe39  1  0.323852  0.411245  0.440375  1
  Fe  Fe40  1  0.769889  0.746121  0.493547  1
  Fe  Fe41  1  0.843686  0.976968  0.419425  1
  Fe  Fe42  1  0.806769  0.361156  0.456594  1
  Fe  Fe43  1  0.360116  0.872281  0.429813  1
  Fe  Fe44  1  0.322949  0.256852  0.466890  1
  Fe  Fe45  1  0.396359  0.487604  0.393019  1
  Fe  Fe46  1  0.143781  0.967172  0.460356  1
  Fe  Fe47  1  0.107084  0.351659  0.497536  1
  Fe  Fe48  1  0.180826  0.582516  0.423615  1
  Fe  Fe49  1  0.866942  0.724626  0.408672  1
  Fe  Fe50  1  0.831788  0.109184  0.445359  1
  Fe  Fe51  1  0.793555  0.493683  0.482668  1
  Fe  Fe52  1  0.985906  0.651179  0.462994  1
  Fe  Fe53  1  0.059711  0.882314  0.388790  1
  Fe  Fe54  1  0.022519  0.266269  0.425923  1
  Fe  Fe55  1  0.842621  0.822431  0.446012  1
  Fe  Fe56  1  0.805484  0.206684  0.483102  1
  Fe  Fe57  1  0.879188  0.437081  0.409280  1
  Fe  Fe58  1  0.373254  0.739888  0.403905  1
  Fe  Fe59  1  0.335128  0.124496  0.440783  1
  Fe  Fe60  1  0.298869  0.508993  0.477964  1
  Fe  Fe61  1  0.520924  0.086713  0.582873  1
  Fe  Fe62  1  0.594429  0.317234  0.508848  1
  Fe  Fe63  1  0.557142  0.701506  0.545770  1
  Fe  Fe64  1  0.387573  0.839537  0.562645  1
  Fe  Fe65  1  0.351250  0.223676  0.599862  1
  Fe  Fe66  1  0.424623  0.454622  0.525781  1
  Fe  Fe67  1  0.176618  0.950282  0.588207  1
  Fe  Fe68  1  0.250323  0.180680  0.514384  1
  Fe  Fe69  1  0.213185  0.564933  0.551475  1
  Fe  Fe70  1  0.659447  0.899759  0.604468  1
  Fe  Fe71  1  0.732858  0.130512  0.530597  1
  Fe  Fe72  1  0.695690  0.515082  0.567674  1
  Fe  Fe73  1  0.249037  0.026208  0.540892  1
  Fe  Fe74  1  0.212121  0.410396  0.578062  1
  Fe  Fe75  1  0.285917  0.641243  0.503939  1
  Fe  Fe76  1  0.033287  0.121094  0.571564  1
  Fe  Fe77  1  0.996095  0.505050  0.608697  1
  Fe  Fe78  1  0.069901  0.736184  0.534493  1
  Fe  Fe79  1  0.756937  0.878371  0.519523  1
  Fe  Fe80  1  0.720678  0.262868  0.556704  1
  Fe  Fe81  1  0.682552  0.647475  0.593582  1
  Fe  Fe82  1  0.874981  0.804848  0.573871  1
  Fe  Fe83  1  0.948722  0.035704  0.499951  1
  Fe  Fe84  1  0.912025  0.420192  0.537131  1
  Fe  Fe85  1  0.731954  0.976119  0.557111  1
  Fe  Fe86  1  0.694427  0.360309  0.594251  1
  Fe  Fe87  1  0.768646  0.591273  0.520125  1
  Fe  Fe88  1  0.262251  0.893681  0.514818  1
  Fe  Fe89  1  0.224018  0.278179  0.552127  1
  Fe  Fe90  1  0.188864  0.662737  0.588815  1
  Fe  Fe91  1  0.412939  0.241482  0.694722  1
  Fe  Fe92  1  0.482409  0.469828  0.619795  1
  Fe  Fe93  1  0.448784  0.856020  0.656650  1
  Fe  Fe94  1  0.280036  0.991585  0.673292  1
  Fe  Fe95  1  0.238828  0.382109  0.711359  1
  Fe  Fe96  1  0.314197  0.609113  0.636555  1
  Fe  Fe97  1  0.070970  0.103330  0.699892  1
  Fe  Fe98  1  0.138897  0.333396  0.626037  1
  Fe  Fe99  1  0.102884  0.719133  0.662242  1
  Fe  Fe100  1  0.540572  0.054169  0.716214  1
  Fe  Fe101  1  0.619435  0.284366  0.642082  1
  Fe  Fe102  1  0.584528  0.669275  0.678594  1
  Fe  Fe103  1  0.139645  0.179326  0.652320  1
  Fe  Fe104  1  0.105711  0.566184  0.688866  1
  Fe  Fe105  1  0.175123  0.795547  0.614779  1
  Fe  Fe106  1  0.921112  0.277482  0.683697  1
  Fe  Fe107  1  0.889512  0.661189  0.720199  1
  Fe  Fe108  1  0.959371  0.890012  0.645400  1
  Fe  Fe109  1  0.647368  0.031861  0.630772  1
  Fe  Fe110  1  0.608994  0.416433  0.667782  1
  Fe  Fe111  1  0.572456  0.800911  0.704638  1
  Fe  Fe112  1  0.774909  0.958515  0.686118  1
  Fe  Fe113  1  0.839173  0.189359  0.611376  1
  Fe  Fe114  1  0.802422  0.574021  0.647811  1
  Fe  Fe115  1  0.622375  0.129324  0.668259  1
  Fe  Fe116  1  0.582871  0.517748  0.705115  1
  Fe  Fe117  1  0.657732  0.745329  0.631093  1
  Fe  Fe118  1  0.150142  0.047190  0.626180  1
  Fe  Fe119  1  0.113892  0.431976  0.663243  1
  Fe  Fe120  1  0.082356  0.818899  0.699227  1
  C  C121  1  0.071703  0.714893  0.373544  1
  C  C122  1  0.147548  0.943176  0.299267  1
  C  C123  1  0.106682  0.331169  0.335938  1
  C  C124  1  0.811071  0.688884  0.297849  1
  C  C125  1  0.775669  0.075161  0.334053  1
  C  C126  1  0.737389  0.459568  0.372000  1
  C  C127  1  0.647256  0.466396  0.292696  1
  C  C128  1  0.613327  0.851258  0.329955  1
  C  C129  1  0.577028  0.236135  0.366479  1
  C  C130  1  0.278680  0.595174  0.328020  1
  C  C131  1  0.243122  0.980484  0.364900  1
  C  C132  1  0.314933  0.212219  0.291230  1
  C  C133  1  0.960874  0.869173  0.484325  1
  C  C134  1  0.034451  0.099938  0.410091  1
  C  C135  1  0.997842  0.484300  0.447499  1
  C  C136  1  0.700715  0.844391  0.408696  1
  C  C137  1  0.663224  0.228537  0.445793  1
  C  C138  1  0.626459  0.613297  0.482825  1
  C  C139  1  0.539978  0.620213  0.403719  1
  C  C140  1  0.503349  0.005074  0.440548  1
  C  C141  1  0.466405  0.389460  0.477679  1
  C  C142  1  0.168836  0.749300  0.439067  1
  C  C143  1  0.131816  0.133743  0.476014  1
  C  C144  1  0.205476  0.364323  0.401983  1
  C  C145  1  0.850330  0.023040  0.595504  1
  C  C146  1  0.923990  0.253621  0.521473  1
  C  C147  1  0.886970  0.638064  0.558420  1
  C  C148  1  0.589401  0.997904  0.519808  1
  C  C149  1  0.552457  0.382289  0.556939  1
  C  C150  1  0.515828  0.767151  0.593767  1
  C  C151  1  0.429347  0.774067  0.514662  1
  C  C152  1  0.392582  0.158827  0.551694  1
  C  C153  1  0.355091  0.542973  0.588790  1
  C  C154  1  0.057965  0.903063  0.549988  1
  C  C155  1  0.021355  0.287426  0.587396  1
  C  C156  1  0.094932  0.518190  0.513162  1
  C  C157  1  0.740873  0.175145  0.706257  1
  C  C158  1  0.812685  0.406880  0.632587  1
  C  C159  1  0.777126  0.792189  0.669466  1
  C  C160  1  0.478778  0.151229  0.631007  1
  C  C161  1  0.442480  0.536106  0.667531  1
  C  C162  1  0.408550  0.920968  0.704791  1
  C  C163  1  0.318417  0.927796  0.625487  1
  C  C164  1  0.280137  0.312202  0.663433  1
  C  C165  1  0.244735  0.698480  0.699637  1
  C  C166  1  0.949124  0.056194  0.661548  1
  C  C167  1  0.908258  0.444188  0.698220  1
  C  C168  1  0.984103  0.672471  0.623943  1
