# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.47965179
_cell_length_b   9.68337770
_cell_length_c   47.05152635
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.03480317
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe144 C72'
_cell_volume   4308.75826416
_cell_formula_units_Z   72
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  0.273675  0.484048  0.301586  1
  Fe  Fe2  1  0.773675  0.984048  0.301586  1
  Fe  Fe3  1  0.807035  0.510707  0.277209  1
  Fe  Fe4  1  0.307035  0.010707  0.277209  1
  Fe  Fe5  1  0.429243  0.260176  0.297892  1
  Fe  Fe6  1  0.929243  0.760176  0.297892  1
  Fe  Fe7  1  0.897224  0.229542  0.322588  1
  Fe  Fe8  1  0.397224  0.729542  0.322588  1
  Fe  Fe9  1  0.542347  0.520246  0.290357  1
  Fe  Fe10  1  0.042347  0.020246  0.290357  1
  Fe  Fe11  1  0.007371  0.487982  0.315269  1
  Fe  Fe12  1  0.507371  0.987982  0.315269  1
  Fe  Fe13  1  0.165781  0.224079  0.309296  1
  Fe  Fe14  1  0.665781  0.724079  0.309296  1
  Fe  Fe15  1  0.706060  0.263484  0.284557  1
  Fe  Fe16  1  0.206060  0.763484  0.284557  1
  Fe  Fe17  1  0.209159  0.419919  0.351610  1
  Fe  Fe18  1  0.709159  0.919919  0.351610  1
  Fe  Fe19  1  0.741536  0.450281  0.326881  1
  Fe  Fe20  1  0.241536  0.950281  0.326881  1
  Fe  Fe21  1  0.363122  0.197837  0.347912  1
  Fe  Fe22  1  0.863122  0.697837  0.347912  1
  Fe  Fe23  1  0.830359  0.166006  0.372852  1
  Fe  Fe24  1  0.330359  0.666006  0.372852  1
  Fe  Fe25  1  0.474206  0.457610  0.340580  1
  Fe  Fe26  1  0.974206  0.957610  0.340580  1
  Fe  Fe27  1  0.941451  0.425872  0.365535  1
  Fe  Fe28  1  0.441451  0.925872  0.365535  1
  Fe  Fe29  1  0.098423  0.159330  0.359210  1
  Fe  Fe30  1  0.598423  0.659330  0.359210  1
  Fe  Fe31  1  0.631035  0.190705  0.334128  1
  Fe  Fe32  1  0.131035  0.690705  0.334128  1
  Fe  Fe33  1  0.142995  0.355715  0.401751  1
  Fe  Fe34  1  0.642995  0.855715  0.401751  1
  Fe  Fe35  1  0.675974  0.387344  0.376769  1
  Fe  Fe36  1  0.175974  0.887344  0.376769  1
  Fe  Fe37  1  0.297156  0.134614  0.397923  1
  Fe  Fe38  1  0.797156  0.634614  0.397923  1
  Fe  Fe39  1  0.764283  0.102701  0.422855  1
  Fe  Fe40  1  0.264283  0.602701  0.422855  1
  Fe  Fe41  1  0.408140  0.393844  0.390403  1
  Fe  Fe42  1  0.908140  0.893844  0.390403  1
  Fe  Fe43  1  0.874979  0.362178  0.415437  1
  Fe  Fe44  1  0.374979  0.862178  0.415437  1
  Fe  Fe45  1  0.032278  0.096241  0.409188  1
  Fe  Fe46  1  0.532278  0.596241  0.409188  1
  Fe  Fe47  1  0.565480  0.127969  0.384204  1
  Fe  Fe48  1  0.065480  0.627969  0.384204  1
  Fe  Fe49  1  0.076895  0.292434  0.451753  1
  Fe  Fe50  1  0.576895  0.792434  0.451753  1
  Fe  Fe51  1  0.610076  0.324044  0.426766  1
  Fe  Fe52  1  0.110076  0.824044  0.426766  1
  Fe  Fe53  1  0.231187  0.071217  0.447886  1
  Fe  Fe54  1  0.731187  0.571217  0.447886  1
  Fe  Fe55  1  0.698074  0.039534  0.472878  1
  Fe  Fe56  1  0.198074  0.539534  0.472878  1
  Fe  Fe57  1  0.341952  0.330659  0.440443  1
  Fe  Fe58  1  0.841952  0.830659  0.440443  1
  Fe  Fe59  1  0.808866  0.298974  0.465438  1
  Fe  Fe60  1  0.308866  0.798974  0.465438  1
  Fe  Fe61  1  0.966109  0.032947  0.459200  1
  Fe  Fe62  1  0.466109  0.532947  0.459200  1
  Fe  Fe63  1  0.499240  0.064698  0.434197  1
  Fe  Fe64  1  0.999240  0.564698  0.434197  1
  Fe  Fe65  1  0.010757  0.229196  0.501764  1
  Fe  Fe66  1  0.510757  0.729196  0.501764  1
  Fe  Fe67  1  0.543872  0.260877  0.476771  1
  Fe  Fe68  1  0.043872  0.760877  0.476771  1
  Fe  Fe69  1  0.165035  0.007973  0.497886  1
  Fe  Fe70  1  0.665035  0.507973  0.497886  1
  Fe  Fe71  1  0.631920  0.976292  0.522879  1
  Fe  Fe72  1  0.131920  0.476292  0.522879  1
  Fe  Fe73  1  0.275814  0.267424  0.490446  1
  Fe  Fe74  1  0.775814  0.767424  0.490446  1
  Fe  Fe75  1  0.742719  0.235746  0.515444  1
  Fe  Fe76  1  0.242719  0.735746  0.515444  1
  Fe  Fe77  1  0.899978  0.969745  0.509203  1
  Fe  Fe78  1  0.399978  0.469745  0.509203  1
  Fe  Fe79  1  0.433073  0.001423  0.484206  1
  Fe  Fe80  1  0.933073  0.501423  0.484206  1
  Fe  Fe81  1  0.944605  0.165952  0.551763  1
  Fe  Fe82  1  0.444605  0.665952  0.551763  1
  Fe  Fe83  1  0.477718  0.197635  0.526771  1
  Fe  Fe84  1  0.977718  0.697635  0.526771  1
  Fe  Fe85  1  0.098897  0.944735  0.547897  1
  Fe  Fe86  1  0.598897  0.444735  0.547897  1
  Fe  Fe87  1  0.565716  0.913125  0.572884  1
  Fe  Fe88  1  0.065716  0.413125  0.572884  1
  Fe  Fe89  1  0.209683  0.204222  0.540450  1
  Fe  Fe90  1  0.709683  0.704222  0.540450  1
  Fe  Fe91  1  0.676552  0.172471  0.565453  1
  Fe  Fe92  1  0.176552  0.672471  0.565453  1
  Fe  Fe93  1  0.833840  0.906510  0.559206  1
  Fe  Fe94  1  0.333840  0.406510  0.559206  1
  Fe  Fe95  1  0.366926  0.938195  0.534212  1
  Fe  Fe96  1  0.866926  0.438195  0.534212  1
  Fe  Fe97  1  0.878636  0.102555  0.601726  1
  Fe  Fe98  1  0.378636  0.602555  0.601726  1
  Fe  Fe99  1  0.411509  0.134467  0.576794  1
  Fe  Fe100  1  0.911509  0.634467  0.576794  1
  Fe  Fe101  1  0.032797  0.881454  0.597899  1
  Fe  Fe102  1  0.532797  0.381454  0.597899  1
  Fe  Fe103  1  0.499817  0.849825  0.622880  1
  Fe  Fe104  1  0.999817  0.349825  0.622880  1
  Fe  Fe105  1  0.143514  0.140928  0.590461  1
  Fe  Fe106  1  0.643514  0.640928  0.590461  1
  Fe  Fe107  1  0.610312  0.109200  0.615446  1
  Fe  Fe108  1  0.110312  0.609200  0.615446  1
  Fe  Fe109  1  0.767652  0.843325  0.609246  1
  Fe  Fe110  1  0.267652  0.343325  0.609246  1
  Fe  Fe111  1  0.300813  0.874991  0.584212  1
  Fe  Fe112  1  0.800813  0.374991  0.584212  1
  Fe  Fe113  1  0.812670  0.039332  0.651738  1
  Fe  Fe114  1  0.312670  0.539332  0.651738  1
  Fe  Fe115  1  0.345433  0.071163  0.626798  1
  Fe  Fe116  1  0.845433  0.571163  0.626798  1
  Fe  Fe117  1  0.966633  0.817250  0.648039  1
  Fe  Fe118  1  0.466633  0.317250  0.648039  1
  Fe  Fe119  1  0.434256  0.786888  0.672769  1
  Fe  Fe120  1  0.934256  0.286888  0.672769  1
  Fe  Fe121  1  0.077369  0.077839  0.640439  1
  Fe  Fe122  1  0.577369  0.577839  0.640439  1
  Fe  Fe123  1  0.544757  0.046464  0.665522  1
  Fe  Fe124  1  0.044757  0.546464  0.665522  1
  Fe  Fe125  1  0.701586  0.779559  0.659070  1
  Fe  Fe126  1  0.201586  0.279559  0.659070  1
  Fe  Fe127  1  0.234341  0.811297  0.634115  1
  Fe  Fe128  1  0.734341  0.311297  0.634115  1
  Fe  Fe129  1  0.746549  0.976993  0.701758  1
  Fe  Fe130  1  0.246549  0.476993  0.701758  1
  Fe  Fe131  1  0.278568  0.007627  0.677062  1
  Fe  Fe132  1  0.778568  0.507627  0.677062  1
  Fe  Fe133  1  0.902117  0.753120  0.698064  1
  Fe  Fe134  1  0.402117  0.253120  0.698064  1
  Fe  Fe135  1  0.368757  0.726462  0.722441  1
  Fe  Fe136  1  0.868757  0.226462  0.722441  1
  Fe  Fe137  1  0.010011  0.013090  0.690354  1
  Fe  Fe138  1  0.510011  0.513090  0.690354  1
  Fe  Fe139  1  0.469732  0.973685  0.715092  1
  Fe  Fe140  1  0.969732  0.473685  0.715092  1
  Fe  Fe141  1  0.633445  0.716923  0.709293  1
  Fe  Fe142  1  0.133445  0.216923  0.709293  1
  Fe  Fe143  1  0.168421  0.749187  0.684381  1
  Fe  Fe144  1  0.668421  0.249187  0.684381  1
  C  C145  1  0.118881  0.387186  0.287013  1
  C  C146  1  0.618881  0.887186  0.287013  1
  C  C147  1  0.585011  0.355700  0.312410  1
  C  C148  1  0.085011  0.855700  0.312410  1
  C  C149  1  0.335854  0.105066  0.312435  1
  C  C150  1  0.835854  0.605066  0.312435  1
  C  C151  1  0.870803  0.136895  0.287058  1
  C  C152  1  0.370803  0.636895  0.287058  1
  C  C153  1  0.052870  0.324207  0.337414  1
  C  C154  1  0.552870  0.824207  0.337414  1
  C  C155  1  0.519792  0.292414  0.362280  1
  C  C156  1  0.019792  0.792414  0.362280  1
  C  C157  1  0.269860  0.042483  0.362377  1
  C  C158  1  0.769860  0.542483  0.362377  1
  C  C159  1  0.803200  0.074904  0.337183  1
  C  C160  1  0.303200  0.574904  0.337183  1
  C  C161  1  0.986677  0.260848  0.387305  1
  C  C162  1  0.486677  0.760848  0.387305  1
  C  C163  1  0.453679  0.229322  0.412317  1
  C  C164  1  0.953679  0.729322  0.412317  1
  C  C165  1  0.203658  0.979264  0.412327  1
  C  C166  1  0.703658  0.479264  0.412327  1
  C  C167  1  0.736741  0.010796  0.387290  1
  C  C168  1  0.236741  0.510796  0.387290  1
  C  C169  1  0.920563  0.197563  0.437318  1
  C  C170  1  0.420563  0.697563  0.437318  1
  C  C171  1  0.387537  0.166048  0.462325  1
  C  C172  1  0.887537  0.666048  0.462325  1
  C  C173  1  0.137534  0.916034  0.462324  1
  C  C174  1  0.637534  0.416034  0.462324  1
  C  C175  1  0.670554  0.947613  0.437315  1
  C  C176  1  0.170554  0.447613  0.437315  1
  C  C177  1  0.854419  0.134360  0.487321  1
  C  C178  1  0.354419  0.634360  0.487321  1
  C  C179  1  0.321373  0.102809  0.512329  1
  C  C180  1  0.821373  0.602809  0.512329  1
  C  C181  1  0.071386  0.852808  0.512333  1
  C  C182  1  0.571386  0.352808  0.512333  1
  C  C183  1  0.604406  0.884361  0.487316  1
  C  C184  1  0.104406  0.384361  0.487316  1
  C  C185  1  0.788255  0.071121  0.537324  1
  C  C186  1  0.288255  0.571121  0.537324  1
  C  C187  1  0.255229  0.039606  0.562332  1
  C  C188  1  0.755229  0.539606  0.562332  1
  C  C189  1  0.005237  0.789556  0.562335  1
  C  C190  1  0.505237  0.289556  0.562335  1
  C  C191  1  0.538258  0.821135  0.537326  1
  C  C192  1  0.038258  0.321135  0.537326  1
  C  C193  1  0.722113  0.007847  0.587332  1
  C  C194  1  0.222113  0.507847  0.587332  1
  C  C195  1  0.189115  0.976321  0.612345  1
  C  C196  1  0.689115  0.476321  0.612345  1
  C  C197  1  0.939051  0.726373  0.612359  1
  C  C198  1  0.439051  0.226373  0.612359  1
  C  C199  1  0.472134  0.757905  0.587323  1
  C  C200  1  0.972134  0.257905  0.587323  1
  C  C201  1  0.656000  0.944755  0.637370  1
  C  C202  1  0.156000  0.444755  0.637370  1
  C  C203  1  0.122922  0.912962  0.662235  1
  C  C204  1  0.622922  0.412962  0.662235  1
  C  C205  1  0.872592  0.662265  0.662466  1
  C  C206  1  0.372592  0.162265  0.662466  1
  C  C207  1  0.405932  0.694686  0.637273  1
  C  C208  1  0.905932  0.194686  0.637273  1
  C  C209  1  0.590781  0.881468  0.687240  1
  C  C210  1  0.090781  0.381468  0.687240  1
  C  C211  1  0.056911  0.849983  0.712636  1
  C  C212  1  0.556911  0.349983  0.712636  1
  C  C213  1  0.804989  0.600274  0.712592  1
  C  C214  1  0.304989  0.100274  0.712592  1
  C  C215  1  0.339938  0.632103  0.687214  1
  C  C216  1  0.839938  0.132103  0.687214  1
