# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56887875
_cell_length_b   11.47136386
_cell_length_c   47.78739107
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.11827080
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe100 C40'
_cell_volume   2486.5537619
_cell_formula_units_Z   20
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  0.894862  0.708663  0.317179  1
  Fe  Fe2  1  0.232444  0.052667  0.334435  1
  Fe  Fe3  1  0.607670  0.838156  0.282001  1
  Fe  Fe4  1  0.547490  0.862854  0.334579  1
  Fe  Fe5  1  0.032728  0.901177  0.354511  1
  Fe  Fe6  1  0.090102  0.873590  0.302309  1
  Fe  Fe7  1  0.404033  0.685696  0.302538  1
  Fe  Fe8  1  0.744605  0.026087  0.320147  1
  Fe  Fe9  1  0.143895  0.559477  0.278226  1
  Fe  Fe10  1  0.541223  0.700001  0.361079  1
  Fe  Fe11  1  0.894862  0.208663  0.317179  1
  Fe  Fe12  1  0.232444  0.552667  0.334435  1
  Fe  Fe13  1  0.607670  0.338156  0.282001  1
  Fe  Fe14  1  0.547490  0.362854  0.334579  1
  Fe  Fe15  1  0.032728  0.401177  0.354511  1
  Fe  Fe16  1  0.090102  0.373590  0.302309  1
  Fe  Fe17  1  0.404033  0.185696  0.302538  1
  Fe  Fe18  1  0.744605  0.526087  0.320147  1
  Fe  Fe19  1  0.143895  0.059477  0.278226  1
  Fe  Fe20  1  0.541223  0.200001  0.361079  1
  Fe  Fe21  1  0.839223  0.886230  0.407803  1
  Fe  Fe22  1  0.175013  0.228642  0.425177  1
  Fe  Fe23  1  0.546378  0.010688  0.373710  1
  Fe  Fe24  1  0.489760  0.039456  0.425602  1
  Fe  Fe25  1  0.976860  0.077749  0.445467  1
  Fe  Fe26  1  0.033700  0.049223  0.393559  1
  Fe  Fe27  1  0.348232  0.859932  0.393949  1
  Fe  Fe28  1  0.684463  0.202257  0.411347  1
  Fe  Fe29  1  0.038824  0.711805  0.366791  1
  Fe  Fe30  1  0.485511  0.876518  0.452097  1
  Fe  Fe31  1  0.839223  0.386230  0.407803  1
  Fe  Fe32  1  0.175013  0.728642  0.425177  1
  Fe  Fe33  1  0.546378  0.510688  0.373710  1
  Fe  Fe34  1  0.489760  0.539456  0.425602  1
  Fe  Fe35  1  0.976860  0.577749  0.445467  1
  Fe  Fe36  1  0.033700  0.549223  0.393559  1
  Fe  Fe37  1  0.348232  0.359932  0.393949  1
  Fe  Fe38  1  0.684463  0.702257  0.411347  1
  Fe  Fe39  1  0.038824  0.211805  0.366791  1
  Fe  Fe40  1  0.485511  0.376518  0.452097  1
  Fe  Fe41  1  0.783258  0.062731  0.498773  1
  Fe  Fe42  1  0.119041  0.405113  0.516154  1
  Fe  Fe43  1  0.490696  0.187278  0.464651  1
  Fe  Fe44  1  0.433828  0.215930  0.516576  1
  Fe  Fe45  1  0.920876  0.254254  0.536446  1
  Fe  Fe46  1  0.977745  0.225602  0.484521  1
  Fe  Fe47  1  0.292532  0.036419  0.484943  1
  Fe  Fe48  1  0.628315  0.378801  0.502324  1
  Fe  Fe49  1  0.982052  0.888521  0.458026  1
  Fe  Fe50  1  0.429520  0.053011  0.543072  1
  Fe  Fe51  1  0.783258  0.562731  0.498773  1
  Fe  Fe52  1  0.119041  0.905113  0.516154  1
  Fe  Fe53  1  0.490696  0.687278  0.464651  1
  Fe  Fe54  1  0.433828  0.715930  0.516576  1
  Fe  Fe55  1  0.920876  0.754254  0.536446  1
  Fe  Fe56  1  0.977745  0.725602  0.484521  1
  Fe  Fe57  1  0.292532  0.536419  0.484943  1
  Fe  Fe58  1  0.628315  0.878801  0.502324  1
  Fe  Fe59  1  0.982052  0.388521  0.458026  1
  Fe  Fe60  1  0.429520  0.553011  0.543072  1
  Fe  Fe61  1  0.727110  0.239275  0.589751  1
  Fe  Fe62  1  0.063340  0.581599  0.607148  1
  Fe  Fe63  1  0.434713  0.363783  0.555630  1
  Fe  Fe64  1  0.377873  0.392309  0.607538  1
  Fe  Fe65  1  0.865195  0.430844  0.627387  1
  Fe  Fe66  1  0.921813  0.402076  0.575495  1
  Fe  Fe67  1  0.236560  0.212890  0.575920  1
  Fe  Fe68  1  0.572350  0.555302  0.593295  1
  Fe  Fe69  1  0.926062  0.065014  0.549000  1
  Fe  Fe70  1  0.372749  0.229726  0.634307  1
  Fe  Fe71  1  0.727110  0.739275  0.589751  1
  Fe  Fe72  1  0.063340  0.081599  0.607148  1
  Fe  Fe73  1  0.434713  0.863783  0.555630  1
  Fe  Fe74  1  0.377873  0.892309  0.607538  1
  Fe  Fe75  1  0.865195  0.930844  0.627387  1
  Fe  Fe76  1  0.921813  0.902076  0.575495  1
  Fe  Fe77  1  0.236560  0.712890  0.575920  1
  Fe  Fe78  1  0.572350  0.055302  0.593295  1
  Fe  Fe79  1  0.926062  0.565014  0.549000  1
  Fe  Fe80  1  0.372749  0.729726  0.634307  1
  Fe  Fe81  1  0.666968  0.415445  0.680951  1
  Fe  Fe82  1  0.007540  0.755836  0.698559  1
  Fe  Fe83  1  0.378845  0.540355  0.646587  1
  Fe  Fe84  1  0.321471  0.567942  0.698788  1
  Fe  Fe85  1  0.803903  0.603376  0.719097  1
  Fe  Fe86  1  0.864083  0.578678  0.666518  1
  Fe  Fe87  1  0.179129  0.388865  0.666662  1
  Fe  Fe88  1  0.516711  0.732869  0.683918  1
  Fe  Fe89  1  0.870350  0.241531  0.640018  1
  Fe  Fe90  1  0.267677  0.382055  0.722871  1
  Fe  Fe91  1  0.666968  0.915445  0.680951  1
  Fe  Fe92  1  0.007540  0.255836  0.698559  1
  Fe  Fe93  1  0.378845  0.040355  0.646587  1
  Fe  Fe94  1  0.321471  0.067942  0.698788  1
  Fe  Fe95  1  0.803903  0.103376  0.719097  1
  Fe  Fe96  1  0.864083  0.078678  0.666518  1
  Fe  Fe97  1  0.179129  0.888865  0.666662  1
  Fe  Fe98  1  0.516711  0.232869  0.683918  1
  Fe  Fe99  1  0.870350  0.741531  0.640018  1
  Fe  Fe100  1  0.267677  0.882055  0.722871  1
  C  C101  1  0.877009  0.070780  0.356344  1
  C  C102  1  0.226428  0.768832  0.334347  1
  C  C103  1  0.761295  0.665132  0.280937  1
  C  C104  1  0.411190  0.967507  0.302960  1
  C  C105  1  0.877009  0.570780  0.356344  1
  C  C106  1  0.226428  0.268832  0.334347  1
  C  C107  1  0.761295  0.165132  0.280937  1
  C  C108  1  0.411190  0.467507  0.302960  1
  C  C109  1  0.821133  0.247648  0.447313  1
  C  C110  1  0.170094  0.944702  0.425517  1
  C  C111  1  0.702371  0.840756  0.371851  1
  C  C112  1  0.353485  0.143921  0.393619  1
  C  C113  1  0.821133  0.747648  0.447313  1
  C  C114  1  0.170094  0.444702  0.425517  1
  C  C115  1  0.702371  0.340756  0.371851  1
  C  C116  1  0.353485  0.643921  0.393619  1
  C  C117  1  0.765150  0.424139  0.538289  1
  C  C118  1  0.114090  0.121212  0.516494  1
  C  C119  1  0.646423  0.017393  0.462808  1
  C  C120  1  0.297483  0.320319  0.484604  1
  C  C121  1  0.765150  0.924139  0.538289  1
  C  C122  1  0.114090  0.621212  0.516494  1
  C  C123  1  0.646423  0.517393  0.462808  1
  C  C124  1  0.297483  0.820319  0.484604  1
  C  C125  1  0.709202  0.600776  0.629246  1
  C  C126  1  0.058088  0.297611  0.607478  1
  C  C127  1  0.590440  0.193884  0.553784  1
  C  C128  1  0.241479  0.496830  0.575580  1
  C  C129  1  0.709202  0.100776  0.629246  1
  C  C130  1  0.058088  0.797611  0.607478  1
  C  C131  1  0.590440  0.693884  0.553784  1
  C  C132  1  0.241479  0.996830  0.575580  1
  C  C133  1  0.650278  0.776400  0.720160  1
  C  C134  1  0.000383  0.474025  0.698138  1
  C  C135  1  0.534563  0.370751  0.644753  1
  C  C136  1  0.185145  0.672700  0.666750  1
  C  C137  1  0.650278  0.276400  0.720160  1
  C  C138  1  0.000383  0.974025  0.698138  1
  C  C139  1  0.534563  0.870751  0.644753  1
  C  C140  1  0.185145  0.172700  0.666750  1
