# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56845585
_cell_length_b   12.02533833
_cell_length_c   47.04475836
_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   'Fe88 C44'
_cell_volume   2584.50857954
_cell_formula_units_Z   44
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  0.345394  0.924295  0.297229  1
  Fe  Fe2  1  0.317275  0.500899  0.277610  1
  Fe  Fe3  1  0.648296  0.655365  0.310648  1
  Fe  Fe4  1  0.647455  0.221258  0.290043  1
  Fe  Fe5  1  0.853409  0.005087  0.279831  1
  Fe  Fe6  1  0.849598  0.439206  0.299672  1
  Fe  Fe7  1  0.158530  0.708795  0.287191  1
  Fe  Fe8  1  0.149177  0.142106  0.307518  1
  Fe  Fe9  1  0.350218  0.792605  0.338789  1
  Fe  Fe10  1  0.351017  0.357778  0.318027  1
  Fe  Fe11  1  0.649860  0.523931  0.352270  1
  Fe  Fe12  1  0.650049  0.089650  0.331027  1
  Fe  Fe13  1  0.850462  0.872616  0.320820  1
  Fe  Fe14  1  0.851087  0.306696  0.341375  1
  Fe  Fe15  1  0.148506  0.575239  0.328344  1
  Fe  Fe16  1  0.148462  0.009298  0.349123  1
  Fe  Fe17  1  0.352183  0.660640  0.380475  1
  Fe  Fe18  1  0.350712  0.226620  0.359553  1
  Fe  Fe19  1  0.649927  0.392214  0.393867  1
  Fe  Fe20  1  0.649174  0.958165  0.372918  1
  Fe  Fe21  1  0.851279  0.740833  0.362776  1
  Fe  Fe22  1  0.851803  0.175317  0.383453  1
  Fe  Fe23  1  0.150938  0.443571  0.370087  1
  Fe  Fe24  1  0.148852  0.877758  0.390880  1
  Fe  Fe25  1  0.351883  0.528936  0.422159  1
  Fe  Fe26  1  0.350773  0.094935  0.401288  1
  Fe  Fe27  1  0.649718  0.260555  0.435421  1
  Fe  Fe28  1  0.649174  0.826446  0.414659  1
  Fe  Fe29  1  0.850892  0.609301  0.404256  1
  Fe  Fe30  1  0.851123  0.043533  0.425039  1
  Fe  Fe31  1  0.149661  0.311982  0.411715  1
  Fe  Fe32  1  0.149236  0.746157  0.432583  1
  Fe  Fe33  1  0.351074  0.397387  0.463833  1
  Fe  Fe34  1  0.350828  0.963294  0.442987  1
  Fe  Fe35  1  0.649284  0.128974  0.477166  1
  Fe  Fe36  1  0.649364  0.694781  0.456397  1
  Fe  Fe37  1  0.851074  0.477681  0.445915  1
  Fe  Fe38  1  0.851211  0.911863  0.466786  1
  Fe  Fe39  1  0.149439  0.180309  0.453381  1
  Fe  Fe40  1  0.149541  0.614500  0.474286  1
  Fe  Fe41  1  0.351078  0.265768  0.505476  1
  Fe  Fe42  1  0.351190  0.831590  0.484695  1
  Fe  Fe43  1  0.649575  0.997272  0.518859  1
  Fe  Fe44  1  0.649481  0.563155  0.498064  1
  Fe  Fe45  1  0.851175  0.346077  0.487593  1
  Fe  Fe46  1  0.851050  0.780215  0.508472  1
  Fe  Fe47  1  0.149303  0.048673  0.495061  1
  Fe  Fe48  1  0.149538  0.482864  0.515948  1
  Fe  Fe49  1  0.351360  0.134121  0.547153  1
  Fe  Fe50  1  0.351252  0.699922  0.526389  1
  Fe  Fe51  1  0.649656  0.865660  0.560574  1
  Fe  Fe52  1  0.649430  0.431547  0.539714  1
  Fe  Fe53  1  0.851264  0.214398  0.529271  1
  Fe  Fe54  1  0.851075  0.648608  0.550165  1
  Fe  Fe55  1  0.149300  0.917002  0.536794  1
  Fe  Fe56  1  0.149796  0.351285  0.557636  1
  Fe  Fe57  1  0.351372  0.002399  0.588919  1
  Fe  Fe58  1  0.350858  0.568375  0.568108  1
  Fe  Fe59  1  0.649403  0.734082  0.602277  1
  Fe  Fe60  1  0.649059  0.299837  0.581371  1
  Fe  Fe61  1  0.851605  0.082723  0.570966  1
  Fe  Fe62  1  0.850974  0.516935  0.591824  1
  Fe  Fe63  1  0.149612  0.785363  0.578572  1
  Fe  Fe64  1  0.149144  0.219472  0.599119  1
  Fe  Fe65  1  0.350810  0.870957  0.630662  1
  Fe  Fe66  1  0.351129  0.436647  0.609609  1
  Fe  Fe67  1  0.649255  0.602315  0.643997  1
  Fe  Fe68  1  0.649889  0.168159  0.623030  1
  Fe  Fe69  1  0.851459  0.951200  0.612693  1
  Fe  Fe70  1  0.849396  0.385082  0.633455  1
  Fe  Fe71  1  0.148883  0.653677  0.620077  1
  Fe  Fe72  1  0.149543  0.087981  0.640971  1
  Fe  Fe73  1  0.349994  0.739307  0.672497  1
  Fe  Fe74  1  0.351717  0.304805  0.651381  1
  Fe  Fe75  1  0.648335  0.470655  0.685525  1
  Fe  Fe76  1  0.648897  0.036543  0.664833  1
  Fe  Fe77  1  0.850689  0.819397  0.654440  1
  Fe  Fe78  1  0.853433  0.254493  0.675054  1
  Fe  Fe79  1  0.149658  0.522203  0.662186  1
  Fe  Fe80  1  0.149895  0.956920  0.682784  1
  Fe  Fe81  1  0.351637  0.607371  0.713522  1
  Fe  Fe82  1  0.348874  0.173626  0.693477  1
  Fe  Fe83  1  0.688927  0.326073  0.725842  1
  Fe  Fe84  1  0.654465  0.904229  0.706370  1
  Fe  Fe85  1  0.850697  0.687099  0.695974  1
  Fe  Fe86  1  0.822672  0.115757  0.715831  1
  Fe  Fe87  1  0.150994  0.390068  0.703592  1
  Fe  Fe88  1  0.145405  0.822868  0.723785  1
  C  C89  1  0.996379  0.855242  0.282763  1
  C  C90  1  0.000320  0.290721  0.303394  1
  C  C91  1  0.508250  0.641766  0.272288  1
  C  C92  1  0.497822  0.072431  0.293199  1
  C  C93  1  0.999076  0.723932  0.324787  1
  C  C94  1  0.999701  0.158069  0.345475  1
  C  C95  1  0.499738  0.506565  0.314378  1
  C  C96  1  0.499793  0.941193  0.334981  1
  C  C97  1  0.001207  0.592190  0.366358  1
  C  C98  1  1.000111  0.026479  0.387091  1
  C  C99  1  0.501648  0.375077  0.355898  1
  C  C100  1  0.499905  0.809522  0.376717  1
  C  C101  1  0.000811  0.460719  0.407991  1
  C  C102  1  1.000016  0.894830  0.428831  1
  C  C103  1  0.500227  0.243560  0.397488  1
  C  C104  1  0.500232  0.677750  0.418455  1
  C  C105  1  0.000272  0.328996  0.449650  1
  C  C106  1  0.000337  0.763176  0.470535  1
  C  C107  1  0.500314  0.111923  0.439217  1
  C  C108  1  0.500365  0.546067  0.460122  1
  C  C109  1  0.000193  0.197365  0.491320  1
  C  C110  1  0.000345  0.631554  0.512227  1
  C  C111  1  0.500257  0.980275  0.480921  1
  C  C112  1  0.500338  0.414454  0.501771  1
  C  C113  1  0.000423  0.065711  0.533012  1
  C  C114  1  0.000293  0.499923  0.553886  1
  C  C115  1  0.500232  0.848630  0.522641  1
  C  C116  1  0.500354  0.282832  0.543413  1
  C  C117  1  0.000508  0.934023  0.574750  1
  C  C118  1  0.999873  0.368207  0.595555  1
  C  C119  1  0.500249  0.717018  0.564335  1
  C  C120  1  0.500539  0.151051  0.585097  1
  C  C121  1  1.000055  0.802465  0.616500  1
  C  C122  1  0.001013  0.236698  0.637088  1
  C  C123  1  0.500387  0.585378  0.606039  1
  C  C124  1  0.500539  0.019537  0.626858  1
  C  C125  1  0.000542  0.670753  0.658044  1
  C  C126  1  0.999629  0.105411  0.678871  1
  C  C127  1  0.498770  0.453776  0.647600  1
  C  C128  1  0.499899  0.887847  0.668612  1
  C  C129  1  0.998498  0.538347  0.700091  1
  C  C130  1  0.003805  0.972891  0.720877  1
  C  C131  1  0.501335  0.321663  0.689311  1
  C  C132  1  0.501542  0.756155  0.710360  1
