# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55804184
_cell_length_b   10.60677811
_cell_length_c   49.80383240
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe120 C40'
_cell_volume   3464.33937491
_cell_formula_units_Z   40
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  0.249022  0.660670  0.332713  1
  Fe  Fe2  1  0.249022  0.070170  0.375571  1
  Fe  Fe3  1  0.749022  0.383573  0.343124  1
  Fe  Fe4  1  0.749022  0.968371  0.302513  1
  Fe  Fe5  1  0.249022  0.504679  0.367897  1
  Fe  Fe6  1  0.249022  0.089513  0.325426  1
  Fe  Fe7  1  0.749022  0.418942  0.295666  1
  Fe  Fe8  1  0.749022  0.825338  0.338648  1
  Fe  Fe9  1  0.429522  0.420349  0.325984  1
  Fe  Fe10  1  0.423731  0.837728  0.369595  1
  Fe  Fe11  1  0.572898  0.627899  0.350160  1
  Fe  Fe12  1  0.568657  0.210827  0.309374  1
  Fe  Fe13  1  0.071818  0.267007  0.361484  1
  Fe  Fe14  1  0.067746  0.856606  0.322538  1
  Fe  Fe15  1  0.928472  0.644355  0.302969  1
  Fe  Fe16  1  0.926493  0.055734  0.344932  1
  Fe  Fe17  1  0.569573  0.644355  0.302969  1
  Fe  Fe18  1  0.571551  0.055734  0.344932  1
  Fe  Fe19  1  0.426227  0.267007  0.361484  1
  Fe  Fe20  1  0.430298  0.856606  0.322538  1
  Fe  Fe21  1  0.925147  0.627899  0.350160  1
  Fe  Fe22  1  0.929387  0.210827  0.309374  1
  Fe  Fe23  1  0.068522  0.420349  0.325984  1
  Fe  Fe24  1  0.074314  0.837728  0.369595  1
  Fe  Fe25  1  0.249022  0.478938  0.416326  1
  Fe  Fe26  1  0.249022  0.883395  0.458202  1
  Fe  Fe27  1  0.749022  0.209724  0.425994  1
  Fe  Fe28  1  0.749022  0.794663  0.385369  1
  Fe  Fe29  1  0.249022  0.316955  0.451551  1
  Fe  Fe30  1  0.249022  0.914779  0.410006  1
  Fe  Fe31  1  0.749022  0.234026  0.377771  1
  Fe  Fe32  1  0.749022  0.640236  0.419098  1
  Fe  Fe33  1  0.427044  0.245825  0.409418  1
  Fe  Fe34  1  0.426740  0.649779  0.449797  1
  Fe  Fe35  1  0.572498  0.441784  0.432755  1
  Fe  Fe36  1  0.570994  0.040203  0.391836  1
  Fe  Fe37  1  0.071091  0.087104  0.444418  1
  Fe  Fe38  1  0.073254  0.679113  0.401841  1
  Fe  Fe39  1  0.924894  0.464626  0.383207  1
  Fe  Fe40  1  0.923482  0.875558  0.425547  1
  Fe  Fe41  1  0.573150  0.464626  0.383207  1
  Fe  Fe42  1  0.574562  0.875558  0.425547  1
  Fe  Fe43  1  0.426953  0.087104  0.444418  1
  Fe  Fe44  1  0.424790  0.679113  0.401841  1
  Fe  Fe45  1  0.925546  0.441784  0.432755  1
  Fe  Fe46  1  0.927051  0.040203  0.391836  1
  Fe  Fe47  1  0.071001  0.245825  0.409418  1
  Fe  Fe48  1  0.071305  0.649779  0.449797  1
  Fe  Fe49  1  0.249022  0.290592  0.500303  1
  Fe  Fe50  1  0.249022  0.694846  0.541482  1
  Fe  Fe51  1  0.749022  0.019302  0.509531  1
  Fe  Fe52  1  0.749022  0.615275  0.467312  1
  Fe  Fe53  1  0.249022  0.124849  0.535021  1
  Fe  Fe54  1  0.249022  0.720822  0.492802  1
  Fe  Fe55  1  0.749022  0.045278  0.460850  1
  Fe  Fe56  1  0.749022  0.449532  0.502030  1
  Fe  Fe57  1  0.426556  0.053646  0.492095  1
  Fe  Fe58  1  0.426090  0.457933  0.533559  1
  Fe  Fe59  1  0.571109  0.246524  0.516943  1
  Fe  Fe60  1  0.572023  0.842988  0.474934  1
  Fe  Fe61  1  0.072023  0.897136  0.527399  1
  Fe  Fe62  1  0.071109  0.493600  0.485390  1
  Fe  Fe63  1  0.926090  0.282192  0.468773  1
  Fe  Fe64  1  0.926556  0.686478  0.510237  1
  Fe  Fe65  1  0.571955  0.282192  0.468773  1
  Fe  Fe66  1  0.571488  0.686478  0.510237  1
  Fe  Fe67  1  0.426021  0.897136  0.527399  1
  Fe  Fe68  1  0.426936  0.493600  0.485390  1
  Fe  Fe69  1  0.926936  0.246524  0.516943  1
  Fe  Fe70  1  0.926021  0.842988  0.474934  1
  Fe  Fe71  1  0.071488  0.053646  0.492095  1
  Fe  Fe72  1  0.071955  0.457933  0.533559  1
  Fe  Fe73  1  0.249022  0.099888  0.583235  1
  Fe  Fe74  1  0.249022  0.506098  0.624562  1
  Fe  Fe75  1  0.749022  0.825345  0.592327  1
  Fe  Fe76  1  0.749022  0.423169  0.550782  1
  Fe  Fe77  1  0.249022  0.945461  0.616964  1
  Fe  Fe78  1  0.249022  0.530400  0.576338  1
  Fe  Fe79  1  0.749022  0.856729  0.544131  1
  Fe  Fe80  1  0.749022  0.261186  0.586006  1
  Fe  Fe81  1  0.423482  0.864566  0.576786  1
  Fe  Fe82  1  0.424895  0.275498  0.619125  1
  Fe  Fe83  1  0.573254  0.061011  0.600492  1
  Fe  Fe84  1  0.571091  0.653020  0.557915  1
  Fe  Fe85  1  0.070994  0.699921  0.610496  1
  Fe  Fe86  1  0.072498  0.298340  0.569578  1
  Fe  Fe87  1  0.926740  0.090345  0.552536  1
  Fe  Fe88  1  0.927044  0.494299  0.592915  1
  Fe  Fe89  1  0.571305  0.090345  0.552536  1
  Fe  Fe90  1  0.571001  0.494299  0.592915  1
  Fe  Fe91  1  0.427050  0.699921  0.610496  1
  Fe  Fe92  1  0.425546  0.298340  0.569578  1
  Fe  Fe93  1  0.924790  0.061011  0.600492  1
  Fe  Fe94  1  0.926954  0.653020  0.557915  1
  Fe  Fe95  1  0.074562  0.864566  0.576786  1
  Fe  Fe96  1  0.073150  0.275498  0.619125  1
  Fe  Fe97  1  0.249022  0.914786  0.663685  1
  Fe  Fe98  1  0.249022  0.321182  0.706667  1
  Fe  Fe99  1  0.749022  0.650611  0.676907  1
  Fe  Fe100  1  0.749022  0.235445  0.634435  1
  Fe  Fe101  1  0.249022  0.771753  0.699820  1
  Fe  Fe102  1  0.249022  0.356551  0.659209  1
  Fe  Fe103  1  0.749022  0.669954  0.626762  1
  Fe  Fe104  1  0.749022  0.079454  0.669619  1
  Fe  Fe105  1  0.426493  0.684390  0.657401  1
  Fe  Fe106  1  0.428472  0.095769  0.699363  1
  Fe  Fe107  1  0.567746  0.883518  0.679795  1
  Fe  Fe108  1  0.571818  0.473118  0.640849  1
  Fe  Fe109  1  0.068657  0.529297  0.692959  1
  Fe  Fe110  1  0.072898  0.112225  0.652173  1
  Fe  Fe111  1  0.923731  0.902396  0.632738  1
  Fe  Fe112  1  0.929522  0.319775  0.676349  1
  Fe  Fe113  1  0.574314  0.902396  0.632738  1
  Fe  Fe114  1  0.568522  0.319775  0.676349  1
  Fe  Fe115  1  0.429387  0.529297  0.692959  1
  Fe  Fe116  1  0.425147  0.112225  0.652173  1
  Fe  Fe117  1  0.930298  0.883518  0.679795  1
  Fe  Fe118  1  0.926227  0.473118  0.640849  1
  Fe  Fe119  1  0.071551  0.684390  0.657401  1
  Fe  Fe120  1  0.069573  0.095769  0.699363  1
  C  C121  1  0.249022  0.528934  0.306239  1
  C  C122  1  0.249022  0.942906  0.348147  1
  C  C123  1  0.749022  0.787296  0.300921  1
  C  C124  1  0.749022  0.203257  0.339753  1
  C  C125  1  0.249022  0.269052  0.330734  1
  C  C126  1  0.249022  0.685273  0.370956  1
  C  C127  1  0.749022  0.541181  0.324154  1
  C  C128  1  0.749022  0.951830  0.366236  1
  C  C129  1  0.249022  0.352254  0.388759  1
  C  C130  1  0.249022  0.759868  0.429976  1
  C  C131  1  0.749022  0.614826  0.380901  1
  C  C132  1  0.749022  0.029355  0.422415  1
  C  C133  1  0.249022  0.094971  0.413787  1
  C  C134  1  0.249022  0.497426  0.454720  1
  C  C135  1  0.749022  0.361996  0.405049  1
  C  C136  1  0.749022  0.767833  0.446462  1
  C  C137  1  0.249022  0.164878  0.472536  1
  C  C138  1  0.249022  0.568743  0.513806  1
  C  C139  1  0.749022  0.434988  0.463554  1
  C  C140  1  0.749022  0.839061  0.505710  1
  C  C141  1  0.249022  0.901063  0.496623  1
  C  C142  1  0.249022  0.305136  0.538778  1
  C  C143  1  0.749022  0.171381  0.488527  1
  C  C144  1  0.749022  0.575246  0.529796  1
  C  C145  1  0.249022  0.972291  0.555871  1
  C  C146  1  0.249022  0.378128  0.597283  1
  C  C147  1  0.749022  0.242698  0.547613  1
  C  C148  1  0.749022  0.645153  0.588546  1
  C  C149  1  0.249022  0.710769  0.579918  1
  C  C150  1  0.249022  0.125298  0.621432  1
  C  C151  1  0.749022  0.980256  0.572357  1
  C  C152  1  0.749022  0.387870  0.613574  1
  C  C153  1  0.249022  0.788294  0.636097  1
  C  C154  1  0.249022  0.198943  0.678179  1
  C  C155  1  0.749022  0.054852  0.631376  1
  C  C156  1  0.749022  0.471072  0.671598  1
  C  C157  1  0.249022  0.536867  0.662580  1
  C  C158  1  0.249022  0.952828  0.701412  1
  C  C159  1  0.749022  0.797218  0.654186  1
  C  C160  1  0.749022  0.211190  0.696094  1
