# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67276668
_cell_length_b   14.60913841
_cell_length_c   47.33506836
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe108 C54'
_cell_volume   3231.33294953
_cell_formula_units_Z   54
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  0.272889  0.861308  0.297588  1
  Fe  Fe2  1  0.271558  0.508647  0.314347  1
  Fe  Fe3  1  0.279085  0.213738  0.281585  1
  Fe  Fe4  1  0.725723  0.772830  0.288073  1
  Fe  Fe5  1  0.728696  0.420768  0.304697  1
  Fe  Fe6  1  0.726532  0.067011  0.321119  1
  Fe  Fe7  1  0.228521  0.684250  0.306166  1
  Fe  Fe8  1  0.228328  0.331582  0.322451  1
  Fe  Fe9  1  0.237351  0.040727  0.289622  1
  Fe  Fe10  1  0.781120  0.948989  0.280016  1
  Fe  Fe11  1  0.772616  0.596584  0.296350  1
  Fe  Fe12  1  0.771002  0.244065  0.312644  1
  Fe  Fe13  1  0.274900  0.801318  0.347853  1
  Fe  Fe14  1  0.276810  0.447895  0.364626  1
  Fe  Fe15  1  0.272218  0.155210  0.330771  1
  Fe  Fe16  1  0.726760  0.714014  0.337809  1
  Fe  Fe17  1  0.726680  0.360519  0.354439  1
  Fe  Fe18  1  0.727222  0.007630  0.371067  1
  Fe  Fe19  1  0.225131  0.624664  0.356298  1
  Fe  Fe20  1  0.225416  0.271550  0.372796  1
  Fe  Fe21  1  0.226523  0.978292  0.339276  1
  Fe  Fe22  1  0.775482  0.890101  0.329689  1
  Fe  Fe23  1  0.776015  0.537168  0.346264  1
  Fe  Fe24  1  0.773924  0.184239  0.362738  1
  Fe  Fe25  1  0.274160  0.742147  0.397782  1
  Fe  Fe26  1  0.273973  0.389012  0.414409  1
  Fe  Fe27  1  0.274261  0.095233  0.381052  1
  Fe  Fe28  1  0.726123  0.654705  0.387969  1
  Fe  Fe29  1  0.726307  0.301309  0.404515  1
  Fe  Fe30  1  0.726418  0.948269  0.421166  1
  Fe  Fe31  1  0.227177  0.565637  0.406097  1
  Fe  Fe32  1  0.226711  0.212388  0.422725  1
  Fe  Fe33  1  0.225959  0.918549  0.389444  1
  Fe  Fe34  1  0.773442  0.831153  0.379467  1
  Fe  Fe35  1  0.774798  0.477948  0.396256  1
  Fe  Fe36  1  0.774463  0.124828  0.412829  1
  Fe  Fe37  1  0.274981  0.682485  0.447818  1
  Fe  Fe38  1  0.274400  0.329443  0.464426  1
  Fe  Fe39  1  0.274077  0.035809  0.431082  1
  Fe  Fe40  1  0.726541  0.594993  0.437863  1
  Fe  Fe41  1  0.726421  0.241868  0.454502  1
  Fe  Fe42  1  0.726342  0.888803  0.471198  1
  Fe  Fe43  1  0.226206  0.505957  0.456125  1
  Fe  Fe44  1  0.226466  0.152859  0.472750  1
  Fe  Fe45  1  0.226348  0.859162  0.439466  1
  Fe  Fe46  1  0.774271  0.771601  0.429508  1
  Fe  Fe47  1  0.774547  0.418432  0.446194  1
  Fe  Fe48  1  0.774372  0.065352  0.462840  1
  Fe  Fe49  1  0.274493  0.623116  0.497784  1
  Fe  Fe50  1  0.274335  0.269983  0.514428  1
  Fe  Fe51  1  0.274258  0.976295  0.481101  1
  Fe  Fe52  1  0.726559  0.535532  0.487863  1
  Fe  Fe53  1  0.726467  0.182405  0.504505  1
  Fe  Fe54  1  0.726458  0.829266  0.521200  1
  Fe  Fe55  1  0.226450  0.446546  0.506102  1
  Fe  Fe56  1  0.226339  0.093339  0.522758  1
  Fe  Fe57  1  0.226609  0.799730  0.489454  1
  Fe  Fe58  1  0.774453  0.712161  0.479537  1
  Fe  Fe59  1  0.774457  0.358980  0.496183  1
  Fe  Fe60  1  0.774201  0.005806  0.512851  1
  Fe  Fe61  1  0.274476  0.563682  0.547786  1
  Fe  Fe62  1  0.274238  0.210527  0.564441  1
  Fe  Fe63  1  0.274498  0.916735  0.531107  1
  Fe  Fe64  1  0.726422  0.476101  0.537853  1
  Fe  Fe65  1  0.726089  0.123002  0.554486  1
  Fe  Fe66  1  0.726909  0.769698  0.571231  1
  Fe  Fe67  1  0.226370  0.387096  0.556092  1
  Fe  Fe68  1  0.226502  0.033904  0.572796  1
  Fe  Fe69  1  0.226519  0.740229  0.539461  1
  Fe  Fe70  1  0.774553  0.652695  0.529533  1
  Fe  Fe71  1  0.774798  0.299599  0.546157  1
  Fe  Fe72  1  0.774037  0.946281  0.562862  1
  Fe  Fe73  1  0.274546  0.504234  0.597760  1
  Fe  Fe74  1  0.274018  0.150846  0.614416  1
  Fe  Fe75  1  0.274609  0.857239  0.581110  1
  Fe  Fe76  1  0.726991  0.416495  0.587875  1
  Fe  Fe77  1  0.725711  0.063614  0.604486  1
  Fe  Fe78  1  0.726388  0.710376  0.621206  1
  Fe  Fe79  1  0.226031  0.327506  0.606012  1
  Fe  Fe80  1  0.227759  0.974626  0.622923  1
  Fe  Fe81  1  0.226371  0.680683  0.589440  1
  Fe  Fe82  1  0.774163  0.593135  0.579559  1
  Fe  Fe83  1  0.773811  0.239930  0.596191  1
  Fe  Fe84  1  0.775312  0.887055  0.612826  1
  Fe  Fe85  1  0.275832  0.444912  0.647710  1
  Fe  Fe86  1  0.275172  0.091649  0.664263  1
  Fe  Fe87  1  0.274038  0.798010  0.631217  1
  Fe  Fe88  1  0.724519  0.357492  0.637661  1
  Fe  Fe89  1  0.727195  0.003874  0.654664  1
  Fe  Fe90  1  0.729649  0.650191  0.671505  1
  Fe  Fe91  1  0.226582  0.268258  0.656175  1
  Fe  Fe92  1  0.226414  0.915448  0.672636  1
  Fe  Fe93  1  0.227305  0.621367  0.639575  1
  Fe  Fe94  1  0.775961  0.534066  0.629437  1
  Fe  Fe95  1  0.774550  0.180769  0.646121  1
  Fe  Fe96  1  0.775252  0.827450  0.663034  1
  Fe  Fe97  1  0.271451  0.384744  0.697685  1
  Fe  Fe98  1  0.279885  0.032779  0.714121  1
  Fe  Fe99  1  0.274679  0.738062  0.681107  1
  Fe  Fe100  1  0.729103  0.297341  0.687735  1
  Fe  Fe101  1  0.738574  0.941292  0.704624  1
  Fe  Fe102  1  0.721312  0.591845  0.720701  1
  Fe  Fe103  1  0.225114  0.209395  0.705873  1
  Fe  Fe104  1  0.221236  0.856476  0.722360  1
  Fe  Fe105  1  0.230288  0.561510  0.689582  1
  Fe  Fe106  1  0.773233  0.473888  0.679770  1
  Fe  Fe107  1  0.772150  0.120735  0.696388  1
  Fe  Fe108  1  0.764251  0.764764  0.712728  1
  C  C109  1  0.502138  0.963442  0.309500  1
  C  C110  1  0.500335  0.669983  0.276013  1
  C  C111  1  0.501559  0.318675  0.292369  1
  C  C112  1  0.001802  0.787259  0.317819  1
  C  C113  1  0.999675  0.494194  0.284210  1
  C  C114  1  0.997406  0.141116  0.300873  1
  C  C115  1  0.499635  0.904803  0.359446  1
  C  C116  1  0.500306  0.610632  0.326453  1
  C  C117  1  0.499090  0.257718  0.342802  1
  C  C118  1  0.999873  0.728073  0.367849  1
  C  C119  1  0.002606  0.434087  0.334684  1
  C  C120  1  0.000789  0.081355  0.351039  1
  C  C121  1  0.500254  0.845191  0.409497  1
  C  C122  1  0.501357  0.551490  0.376153  1
  C  C123  1  0.500531  0.198248  0.392752  1
  C  C124  1  0.000787  0.668552  0.417874  1
  C  C125  1  1.000052  0.374827  0.384446  1
  C  C126  1  1.000308  0.021749  0.401103  1
  C  C127  1  0.500557  0.785689  0.459490  1
  C  C128  1  0.500355  0.491932  0.426179  1
  C  C129  1  0.500387  0.138817  0.442784  1
  C  C130  1  1.000456  0.609092  0.467827  1
  C  C131  1  1.000446  0.315364  0.434463  1
  C  C132  1  1.000301  0.962262  0.451137  1
  C  C133  1  0.500476  0.726184  0.509498  1
  C  C134  1  0.500459  0.432491  0.476144  1
  C  C135  1  0.500375  0.079349  0.492801  1
  C  C136  1  1.000502  0.549612  0.517826  1
  C  C137  1  1.000425  0.255917  0.484461  1
  C  C138  1  1.000410  0.902769  0.501153  1
  C  C139  1  0.500581  0.666731  0.559495  1
  C  C140  1  0.500438  0.373030  0.526140  1
  C  C141  1  0.500260  0.019854  0.542815  1
  C  C142  1  1.000411  0.490162  0.567812  1
  C  C143  1  1.000446  0.196431  0.534467  1
  C  C144  1  1.000444  0.843294  0.551161  1
  C  C145  1  0.500304  0.607295  0.609527  1
  C  C146  1  0.500591  0.313584  0.576099  1
  C  C147  1  0.500298  0.960341  0.592845  1
  C  C148  1  0.000982  0.430656  0.617834  1
  C  C149  1  1.000108  0.136961  0.584445  1
  C  C150  1  0.000826  0.783793  0.601196  1
  C  C151  1  0.502421  0.547805  0.659446  1
  C  C152  1  0.499517  0.254016  0.626126  1
  C  C153  1  0.501864  0.900783  0.642843  1
  C  C154  1  0.999668  0.371574  0.667503  1
  C  C155  1  0.999682  0.077461  0.634452  1
  C  C156  1  1.000106  0.724278  0.651194  1
  C  C157  1  0.499717  0.486815  0.709827  1
  C  C158  1  0.500936  0.194619  0.676120  1
  C  C159  1  0.498834  0.841606  0.692770  1
  C  C160  1  0.998543  0.311787  0.718086  1
  C  C161  1  0.001750  0.018607  0.684544  1
  C  C162  1  0.003775  0.664296  0.701463  1
