# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80263909
_cell_length_b   10.41268280
_cell_length_c   47.75970947
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.14246976
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe112 C56'
_cell_volume   3232.70766709
_cell_formula_units_Z   56
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  0.680819  0.376301  0.280845  1
  Fe  Fe2  1  0.379563  0.318768  0.314222  1
  Fe  Fe3  1  0.180819  0.876301  0.280845  1
  Fe  Fe4  1  0.879563  0.818768  0.314222  1
  Fe  Fe5  1  0.712215  0.139031  0.285573  1
  Fe  Fe6  1  0.409523  0.083187  0.318746  1
  Fe  Fe7  1  0.212215  0.639031  0.285573  1
  Fe  Fe8  1  0.909523  0.583187  0.318746  1
  Fe  Fe9  1  0.739066  0.309827  0.332444  1
  Fe  Fe10  1  0.040922  0.367988  0.299788  1
  Fe  Fe11  1  0.239066  0.809827  0.332444  1
  Fe  Fe12  1  0.540922  0.867988  0.299788  1
  Fe  Fe13  1  0.363989  0.155866  0.268928  1
  Fe  Fe14  1  0.056132  0.094592  0.301104  1
  Fe  Fe15  1  0.863989  0.655866  0.268928  1
  Fe  Fe16  1  0.556132  0.594592  0.301104  1
  Fe  Fe17  1  0.080392  0.260068  0.347531  1
  Fe  Fe18  1  0.778210  0.201986  0.380774  1
  Fe  Fe19  1  0.580392  0.760068  0.347531  1
  Fe  Fe20  1  0.278210  0.701986  0.380774  1
  Fe  Fe21  1  0.108804  0.025829  0.352322  1
  Fe  Fe22  1  0.806909  0.967444  0.385763  1
  Fe  Fe23  1  0.608804  0.525829  0.352322  1
  Fe  Fe24  1  0.306909  0.467444  0.385763  1
  Fe  Fe25  1  0.138430  0.193773  0.399111  1
  Fe  Fe26  1  0.439244  0.251669  0.365854  1
  Fe  Fe27  1  0.638430  0.693773  0.399111  1
  Fe  Fe28  1  0.939244  0.751669  0.365854  1
  Fe  Fe29  1  0.748548  0.032380  0.334141  1
  Fe  Fe30  1  0.449143  0.975232  0.367434  1
  Fe  Fe31  1  0.248548  0.532380  0.334141  1
  Fe  Fe32  1  0.949143  0.475232  0.367434  1
  Fe  Fe33  1  0.478735  0.143745  0.414217  1
  Fe  Fe34  1  0.177922  0.085892  0.447535  1
  Fe  Fe35  1  0.978735  0.643745  0.414217  1
  Fe  Fe36  1  0.677922  0.585892  0.447535  1
  Fe  Fe37  1  0.507501  0.909162  0.419028  1
  Fe  Fe38  1  0.206856  0.851163  0.452327  1
  Fe  Fe39  1  0.007501  0.409162  0.419028  1
  Fe  Fe40  1  0.706856  0.351163  0.452327  1
  Fe  Fe41  1  0.537129  0.077892  0.465772  1
  Fe  Fe42  1  0.837686  0.135799  0.432517  1
  Fe  Fe43  1  0.037129  0.577892  0.465772  1
  Fe  Fe44  1  0.337686  0.635799  0.432517  1
  Fe  Fe45  1  0.148494  0.917304  0.400856  1
  Fe  Fe46  1  0.847780  0.859317  0.434094  1
  Fe  Fe47  1  0.648494  0.417304  0.400856  1
  Fe  Fe48  1  0.347780  0.359317  0.434094  1
  Fe  Fe49  1  0.877576  0.027948  0.480885  1
  Fe  Fe50  1  0.576740  0.970086  0.514202  1
  Fe  Fe51  1  0.377576  0.527948  0.480885  1
  Fe  Fe52  1  0.076740  0.470086  0.514202  1
  Fe  Fe53  1  0.906418  0.793307  0.485687  1
  Fe  Fe54  1  0.605582  0.735444  0.519004  1
  Fe  Fe55  1  0.406418  0.293307  0.485687  1
  Fe  Fe56  1  0.105582  0.235444  0.519004  1
  Fe  Fe57  1  0.936201  0.962164  0.532442  1
  Fe  Fe58  1  0.236627  0.019973  0.499136  1
  Fe  Fe59  1  0.436201  0.462164  0.532442  1
  Fe  Fe60  1  0.736627  0.519973  0.499136  1
  Fe  Fe61  1  0.546957  0.801229  0.467447  1
  Fe  Fe62  1  0.246531  0.743420  0.500753  1
  Fe  Fe63  1  0.046957  0.301229  0.467447  1
  Fe  Fe64  1  0.746531  0.243420  0.500753  1
  Fe  Fe65  1  0.276303  0.912230  0.547561  1
  Fe  Fe66  1  0.975657  0.854230  0.580861  1
  Fe  Fe67  1  0.776303  0.412230  0.547561  1
  Fe  Fe68  1  0.475657  0.354230  0.580861  1
  Fe  Fe69  1  0.305236  0.677501  0.552354  1
  Fe  Fe70  1  0.004424  0.619648  0.585672  1
  Fe  Fe71  1  0.805236  0.177501  0.552354  1
  Fe  Fe72  1  0.504424  0.119648  0.585672  1
  Fe  Fe73  1  0.334664  0.846088  0.599033  1
  Fe  Fe74  1  0.635379  0.904076  0.565795  1
  Fe  Fe75  1  0.834664  0.346088  0.599033  1
  Fe  Fe76  1  0.135379  0.404076  0.565795  1
  Fe  Fe77  1  0.946029  0.685501  0.534117  1
  Fe  Fe78  1  0.645472  0.627594  0.567372  1
  Fe  Fe79  1  0.446029  0.185501  0.534117  1
  Fe  Fe80  1  0.145472  0.127594  0.567372  1
  Fe  Fe81  1  0.676249  0.795949  0.614126  1
  Fe  Fe82  1  0.374354  0.737564  0.647566  1
  Fe  Fe83  1  0.176249  0.295949  0.614126  1
  Fe  Fe84  1  0.874354  0.237564  0.647566  1
  Fe  Fe85  1  0.704949  0.561407  0.619115  1
  Fe  Fe86  1  0.402766  0.503324  0.652358  1
  Fe  Fe87  1  0.204949  0.061407  0.619115  1
  Fe  Fe88  1  0.902766  0.003324  0.652358  1
  Fe  Fe89  1  0.734610  0.731012  0.665748  1
  Fe  Fe90  1  0.034015  0.788161  0.632455  1
  Fe  Fe91  1  0.234610  0.231012  0.665748  1
  Fe  Fe92  1  0.534015  0.288161  0.632455  1
  Fe  Fe93  1  0.344728  0.569620  0.600777  1
  Fe  Fe94  1  0.043914  0.511723  0.634034  1
  Fe  Fe95  1  0.844728  0.069620  0.600777  1
  Fe  Fe96  1  0.543914  0.011723  0.634034  1
  Fe  Fe97  1  0.073635  0.680205  0.681143  1
  Fe  Fe98  1  0.770944  0.624361  0.714316  1
  Fe  Fe99  1  0.573635  0.180205  0.681143  1
  Fe  Fe100  1  0.270944  0.124361  0.714316  1
  Fe  Fe101  1  0.103595  0.444624  0.685667  1
  Fe  Fe102  1  0.802340  0.387091  0.719044  1
  Fe  Fe103  1  0.603595  0.944624  0.685667  1
  Fe  Fe104  1  0.302340  0.887091  0.719044  1
  Fe  Fe105  1  0.119169  0.607526  0.730960  1
  Fe  Fe106  1  0.427027  0.668800  0.698785  1
  Fe  Fe107  1  0.619169  0.107526  0.730960  1
  Fe  Fe108  1  0.927027  0.168800  0.698785  1
  Fe  Fe109  1  0.744092  0.453566  0.667445  1
  Fe  Fe110  1  0.442237  0.395405  0.700101  1
  Fe  Fe111  1  0.244092  0.953566  0.667445  1
  Fe  Fe112  1  0.942237  0.895405  0.700101  1
  C  C113  1  0.893960  0.199882  0.316780  1
  C  C114  1  0.196550  0.261252  0.283003  1
  C  C115  1  0.393960  0.699882  0.316780  1
  C  C116  1  0.696550  0.761252  0.283003  1
  C  C117  1  0.446899  0.007271  0.283170  1
  C  C118  1  0.144739  0.950700  0.316620  1
  C  C119  1  0.946899  0.507271  0.283170  1
  C  C120  1  0.644739  0.450700  0.316620  1
  C  C121  1  0.293654  0.084370  0.383293  1
  C  C122  1  0.593576  0.142289  0.349802  1
  C  C123  1  0.793654  0.584370  0.383293  1
  C  C124  1  0.093576  0.642289  0.349802  1
  C  C125  1  0.844815  0.892644  0.350104  1
  C  C126  1  0.543029  0.834205  0.383287  1
  C  C127  1  0.344815  0.392644  0.350104  1
  C  C128  1  0.043029  0.334205  0.383287  1
  C  C129  1  0.692401  0.968474  0.449974  1
  C  C130  1  0.992861  0.026606  0.416604  1
  C  C131  1  0.192401  0.468474  0.449974  1
  C  C132  1  0.492861  0.526606  0.416604  1
  C  C133  1  0.243184  0.776401  0.416596  1
  C  C134  1  0.942344  0.718568  0.449938  1
  C  C135  1  0.743184  0.276401  0.416596  1
  C  C136  1  0.442344  0.218568  0.449938  1
  C  C137  1  0.091365  0.852725  0.516625  1
  C  C138  1  0.391794  0.910668  0.483264  1
  C  C139  1  0.591365  0.352725  0.516625  1
  C  C140  1  0.891794  0.410668  0.483264  1
  C  C141  1  0.641977  0.660655  0.483280  1
  C  C142  1  0.341181  0.602737  0.516609  1
  C  C143  1  0.141977  0.160655  0.483280  1
  C  C144  1  0.841181  0.102737  0.516609  1
  C  C145  1  0.490297  0.736786  0.583285  1
  C  C146  1  0.790758  0.794919  0.549915  1
  C  C147  1  0.990297  0.236786  0.583285  1
  C  C148  1  0.290758  0.294919  0.549915  1
  C  C149  1  0.040815  0.544824  0.549950  1
  C  C150  1  0.739975  0.486992  0.583293  1
  C  C151  1  0.540815  0.044824  0.549950  1
  C  C152  1  0.239975  0.986992  0.583293  1
  C  C153  1  0.889583  0.621103  0.650087  1
  C  C154  1  0.189505  0.679022  0.616595  1
  C  C155  1  0.389583  0.121103  0.650087  1
  C  C156  1  0.689505  0.179022  0.616595  1
  C  C157  1  0.440129  0.429188  0.616602  1
  C  C158  1  0.138343  0.370749  0.649784  1
  C  C159  1  0.940129  0.929188  0.616602  1
  C  C160  1  0.638343  0.870749  0.649784  1
  C  C161  1  0.286609  0.502141  0.716886  1
  C  C162  1  0.589198  0.563510  0.683109  1
  C  C163  1  0.786609  0.002141  0.716886  1
  C  C164  1  0.089198  0.063510  0.683109  1
  C  C165  1  0.838419  0.312692  0.683269  1
  C  C166  1  0.536260  0.256122  0.716718  1
  C  C167  1  0.338419  0.812692  0.683269  1
  C  C168  1  0.036260  0.756122  0.716718  1
