# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67448204
_cell_length_b   13.93922563
_cell_length_c   49.59923169
_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   3231.81946603
_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  0.272514  0.352541  0.302067  1
  Fe  Fe2  1  0.274336  0.029070  0.285847  1
  Fe  Fe3  1  0.272913  0.674013  0.318653  1
  Fe  Fe4  1  0.727569  0.255405  0.297313  1
  Fe  Fe5  1  0.722931  0.932729  0.281075  1
  Fe  Fe6  1  0.729832  0.577798  0.313769  1
  Fe  Fe7  1  0.227865  0.173997  0.318837  1
  Fe  Fe8  1  0.228480  0.852327  0.302330  1
  Fe  Fe9  1  0.236786  0.532593  0.285764  1
  Fe  Fe10  1  0.782710  0.432857  0.281135  1
  Fe  Fe11  1  0.771692  0.077907  0.313737  1
  Fe  Fe12  1  0.771137  0.755937  0.297389  1
  Fe  Fe13  1  0.274737  0.318949  0.352303  1
  Fe  Fe14  1  0.274504  0.996736  0.335629  1
  Fe  Fe15  1  0.274440  0.641432  0.368986  1
  Fe  Fe16  1  0.727216  0.223036  0.347204  1
  Fe  Fe17  1  0.725114  0.900140  0.330674  1
  Fe  Fe18  1  0.726793  0.545383  0.363908  1
  Fe  Fe19  1  0.226618  0.141570  0.368911  1
  Fe  Fe20  1  0.224195  0.818779  0.352456  1
  Fe  Fe21  1  0.227391  0.496800  0.335364  1
  Fe  Fe22  1  0.775989  0.400237  0.330872  1
  Fe  Fe23  1  0.774854  0.045770  0.364070  1
  Fe  Fe24  1  0.774903  0.722866  0.347344  1
  Fe  Fe25  1  0.273977  0.286447  0.402259  1
  Fe  Fe26  1  0.273328  0.964075  0.385559  1
  Fe  Fe27  1  0.273861  0.608896  0.418923  1
  Fe  Fe28  1  0.726281  0.190242  0.397290  1
  Fe  Fe29  1  0.726679  0.867808  0.380640  1
  Fe  Fe30  1  0.726076  0.512784  0.413985  1
  Fe  Fe31  1  0.225952  0.108827  0.418959  1
  Fe  Fe32  1  0.226559  0.786485  0.402241  1
  Fe  Fe33  1  0.225810  0.463795  0.385598  1
  Fe  Fe34  1  0.773106  0.367657  0.380552  1
  Fe  Fe35  1  0.774012  0.012726  0.413974  1
  Fe  Fe36  1  0.774148  0.690244  0.397312  1
  Fe  Fe37  1  0.273878  0.253773  0.452258  1
  Fe  Fe38  1  0.274231  0.931271  0.435618  1
  Fe  Fe39  1  0.274044  0.576187  0.468931  1
  Fe  Fe40  1  0.726330  0.157639  0.447306  1
  Fe  Fe41  1  0.726219  0.835184  0.430646  1
  Fe  Fe42  1  0.726303  0.480053  0.463971  1
  Fe  Fe43  1  0.226303  0.076210  0.468935  1
  Fe  Fe44  1  0.226315  0.753754  0.452262  1
  Fe  Fe45  1  0.226441  0.431334  0.435590  1
  Fe  Fe46  1  0.774032  0.335237  0.430637  1
  Fe  Fe47  1  0.773976  0.980058  0.463974  1
  Fe  Fe48  1  0.773969  0.657608  0.447299  1
  Fe  Fe49  1  0.274034  0.221085  0.502271  1
  Fe  Fe50  1  0.274010  0.898652  0.485602  1
  Fe  Fe51  1  0.274013  0.543528  0.518933  1
  Fe  Fe52  1  0.726302  0.124964  0.497311  1
  Fe  Fe53  1  0.726255  0.802517  0.480640  1
  Fe  Fe54  1  0.726292  0.447409  0.513973  1
  Fe  Fe55  1  0.226255  0.043534  0.518936  1
  Fe  Fe56  1  0.226302  0.721087  0.502265  1
  Fe  Fe57  1  0.226292  0.398642  0.485603  1
  Fe  Fe58  1  0.774013  0.302523  0.480643  1
  Fe  Fe59  1  0.774010  0.947399  0.513975  1
  Fe  Fe60  1  0.774034  0.624967  0.497305  1
  Fe  Fe61  1  0.273969  0.188443  0.552278  1
  Fe  Fe62  1  0.273976  0.865993  0.535602  1
  Fe  Fe63  1  0.274032  0.510814  0.568939  1
  Fe  Fe64  1  0.726315  0.092297  0.547314  1
  Fe  Fe65  1  0.726303  0.769841  0.530641  1
  Fe  Fe66  1  0.726441  0.414717  0.563986  1
  Fe  Fe67  1  0.226219  0.010867  0.568931  1
  Fe  Fe68  1  0.226330  0.688412  0.552271  1
  Fe  Fe69  1  0.226303  0.365998  0.535606  1
  Fe  Fe70  1  0.774044  0.269864  0.530645  1
  Fe  Fe71  1  0.774231  0.914781  0.563958  1
  Fe  Fe72  1  0.773878  0.592278  0.547319  1
  Fe  Fe73  1  0.274148  0.155808  0.602265  1
  Fe  Fe74  1  0.274012  0.833325  0.585603  1
  Fe  Fe75  1  0.273106  0.478394  0.619025  1
  Fe  Fe76  1  0.726559  0.059567  0.597336  1
  Fe  Fe77  1  0.725952  0.737224  0.580617  1
  Fe  Fe78  1  0.725810  0.382256  0.613978  1
  Fe  Fe79  1  0.226679  0.978243  0.618936  1
  Fe  Fe80  1  0.226281  0.655809  0.602287  1
  Fe  Fe81  1  0.226076  0.333267  0.585591  1
  Fe  Fe82  1  0.773861  0.237155  0.580654  1
  Fe  Fe83  1  0.773328  0.881976  0.614017  1
  Fe  Fe84  1  0.773977  0.559605  0.597317  1
  Fe  Fe85  1  0.274903  0.123185  0.652232  1
  Fe  Fe86  1  0.274854  0.800281  0.635506  1
  Fe  Fe87  1  0.275989  0.445814  0.668704  1
  Fe  Fe88  1  0.724195  0.027272  0.647120  1
  Fe  Fe89  1  0.726618  0.704481  0.630666  1
  Fe  Fe90  1  0.727391  0.349252  0.664212  1
  Fe  Fe91  1  0.225114  0.945911  0.668902  1
  Fe  Fe92  1  0.227216  0.623015  0.652373  1
  Fe  Fe93  1  0.226793  0.300668  0.635668  1
  Fe  Fe94  1  0.774440  0.204619  0.630590  1
  Fe  Fe95  1  0.774504  0.849315  0.663947  1
  Fe  Fe96  1  0.774737  0.527102  0.647273  1
  Fe  Fe97  1  0.271137  0.090114  0.702187  1
  Fe  Fe98  1  0.271692  0.768144  0.685839  1
  Fe  Fe99  1  0.282710  0.413194  0.718441  1
  Fe  Fe100  1  0.728480  0.993724  0.697246  1
  Fe  Fe101  1  0.727865  0.672055  0.680740  1
  Fe  Fe102  1  0.736786  0.313458  0.713813  1
  Fe  Fe103  1  0.222931  0.913322  0.718501  1
  Fe  Fe104  1  0.227569  0.590646  0.702263  1
  Fe  Fe105  1  0.229832  0.268253  0.685807  1
  Fe  Fe106  1  0.772913  0.172038  0.680923  1
  Fe  Fe107  1  0.774336  0.816981  0.713729  1
  Fe  Fe108  1  0.772514  0.493510  0.697510  1
  C  C109  1  0.503622  0.464457  0.308152  1
  C  C110  1  0.499684  0.142822  0.291117  1
  C  C111  1  0.498304  0.819610  0.274576  1
  C  C112  1  0.001975  0.287211  0.324729  1
  C  C113  1  0.999454  0.964817  0.308276  1
  C  C114  1  0.999171  0.643491  0.291045  1
  C  C115  1  0.499593  0.432445  0.358077  1
  C  C116  1  0.500997  0.109816  0.341478  1
  C  C117  1  0.498516  0.786946  0.325036  1
  C  C118  1  1.000196  0.254654  0.374777  1
  C  C119  1  0.999566  0.932419  0.358058  1
  C  C120  1  0.001189  0.609785  0.341444  1
  C  C121  1  0.500218  0.399587  0.408102  1
  C  C122  1  0.499858  0.077111  0.391482  1
  C  C123  1  0.500489  0.754656  0.374772  1
  C  C124  1  1.000035  0.222059  0.424773  1
  C  C125  1  1.000256  0.899577  0.408144  1
  C  C126  1  1.000060  0.577038  0.391447  1
  C  C127  1  0.500127  0.366900  0.458121  1
  C  C128  1  0.500169  0.044484  0.441454  1
  C  C129  1  0.500144  0.722022  0.424778  1
  C  C130  1  1.000154  0.189365  0.474791  1
  C  C131  1  1.000151  0.866905  0.458121  1
  C  C132  1  1.000164  0.544457  0.441452  1
  C  C133  1  0.500150  0.334248  0.508125  1
  C  C134  1  0.500149  0.011810  0.491457  1
  C  C135  1  0.500158  0.689351  0.474783  1
  C  C136  1  1.000158  0.156700  0.524793  1
  C  C137  1  1.000149  0.834241  0.508119  1
  C  C138  1  1.000150  0.511804  0.491451  1
  C  C139  1  0.500164  0.301594  0.558125  1
  C  C140  1  0.500151  0.979146  0.541455  1
  C  C141  1  0.500154  0.656686  0.524786  1
  C  C142  1  1.000144  0.124029  0.574799  1
  C  C143  1  1.000169  0.801567  0.558123  1
  C  C144  1  1.000127  0.479151  0.541455  1
  C  C145  1  0.500060  0.269013  0.608129  1
  C  C146  1  0.500256  0.946474  0.591432  1
  C  C147  1  0.500035  0.623993  0.574803  1
  C  C148  1  0.000489  0.091395  0.624804  1
  C  C149  1  0.999858  0.768940  0.608094  1
  C  C150  1  1.000218  0.446464  0.591474  1
  C  C151  1  0.501189  0.236266  0.658132  1
  C  C152  1  0.499566  0.913632  0.641518  1
  C  C153  1  0.500196  0.591398  0.624800  1
  C  C154  1  0.998516  0.059105  0.674540  1
  C  C155  1  0.000997  0.736236  0.658098  1
  C  C156  1  0.999593  0.413607  0.641499  1
  C  C157  1  0.499171  0.202560  0.708532  1
  C  C158  1  0.499454  0.881234  0.691301  1
  C  C159  1  0.501975  0.558840  0.674847  1
  C  C160  1  0.998304  0.026441  0.725000  1
  C  C161  1  0.999684  0.703229  0.708459  1
  C  C162  1  0.003622  0.381594  0.691424  1
