# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16990194
_cell_length_b   7.94563044
_cell_length_c   46.59922335
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   67.21816340
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe72 C36'
_cell_volume   2106.24848711
_cell_formula_units_Z   36
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  0.084571  0.700041  0.276718  1
  Fe  Fe2  1  0.917962  0.023467  0.290084  1
  Fe  Fe3  1  0.763398  0.343634  0.300373  1
  Fe  Fe4  1  0.712613  0.700915  0.276715  1
  Fe  Fe5  1  0.555007  0.025378  0.290191  1
  Fe  Fe6  1  0.389499  0.344390  0.300467  1
  Fe  Fe7  1  0.594375  0.653030  0.320245  1
  Fe  Fe8  1  0.435461  0.972401  0.332253  1
  Fe  Fe9  1  0.281421  0.285009  0.343590  1
  Fe  Fe10  1  0.249487  0.653215  0.320250  1
  Fe  Fe11  1  0.089119  0.972395  0.332241  1
  Fe  Fe12  1  0.930403  0.285051  0.343586  1
  Fe  Fe13  1  0.113911  0.602855  0.357824  1
  Fe  Fe14  1  0.962527  0.912773  0.371020  1
  Fe  Fe15  1  0.802856  0.226796  0.382353  1
  Fe  Fe16  1  0.780220  0.602981  0.357832  1
  Fe  Fe17  1  0.621831  0.912752  0.371028  1
  Fe  Fe18  1  0.467469  0.226816  0.382372  1
  Fe  Fe19  1  0.644247  0.541856  0.394702  1
  Fe  Fe20  1  0.487223  0.853559  0.407280  1
  Fe  Fe21  1  0.330964  0.167093  0.419208  1
  Fe  Fe22  1  0.311133  0.541842  0.394720  1
  Fe  Fe23  1  0.156536  0.853579  0.407271  1
  Fe  Fe24  1  -0.000747  0.167096  0.419206  1
  Fe  Fe25  1  0.174454  0.480926  0.431512  1
  Fe  Fe26  1  0.018101  0.794308  0.443943  1
  Fe  Fe27  1  0.861759  0.108713  0.456445  1
  Fe  Fe28  1  0.842072  0.480910  0.431524  1
  Fe  Fe29  1  0.685104  0.794293  0.443952  1
  Fe  Fe30  1  0.527225  0.108696  0.456452  1
  Fe  Fe31  1  0.704669  0.422403  0.468757  1
  Fe  Fe32  1  0.547781  0.735934  0.481060  1
  Fe  Fe33  1  0.390967  0.049661  0.493402  1
  Fe  Fe34  1  0.370689  0.422392  0.468763  1
  Fe  Fe35  1  0.214109  0.735924  0.481070  1
  Fe  Fe36  1  0.057221  0.049677  0.493399  1
  Fe  Fe37  1  0.234151  0.363373  0.505680  1
  Fe  Fe38  1  0.077263  0.677126  0.518009  1
  Fe  Fe39  1  0.920683  0.990657  0.530316  1
  Fe  Fe40  1  0.900405  0.363389  0.505677  1
  Fe  Fe41  1  0.743591  0.677116  0.518018  1
  Fe  Fe42  1  0.586703  0.990647  0.530321  1
  Fe  Fe43  1  0.764146  0.304354  0.542627  1
  Fe  Fe44  1  0.606268  0.618757  0.555126  1
  Fe  Fe45  1  0.449300  0.932140  0.567554  1
  Fe  Fe46  1  0.429613  0.304337  0.542634  1
  Fe  Fe47  1  0.273271  0.618741  0.555136  1
  Fe  Fe48  1  0.116918  0.932123  0.567566  1
  Fe  Fe49  1  0.292119  0.245953  0.579872  1
  Fe  Fe50  1  0.134836  0.559471  0.591808  1
  Fe  Fe51  1  0.980239  0.871207  0.604358  1
  Fe  Fe52  1  0.960408  0.245957  0.579870  1
  Fe  Fe53  1  0.804149  0.559491  0.591799  1
  Fe  Fe54  1  0.647125  0.871194  0.604376  1
  Fe  Fe55  1  0.823902  0.186233  0.616706  1
  Fe  Fe56  1  0.669541  0.500297  0.628050  1
  Fe  Fe57  1  0.511152  0.810069  0.641247  1
  Fe  Fe58  1  0.488516  0.186253  0.616725  1
  Fe  Fe59  1  0.328845  0.500276  0.628059  1
  Fe  Fe60  1  0.177460  0.810194  0.641254  1
  Fe  Fe61  1  0.360968  0.127999  0.655492  1
  Fe  Fe62  1  0.202253  0.440654  0.666838  1
  Fe  Fe63  1  0.041884  0.759834  0.678828  1
  Fe  Fe64  1  0.009951  0.128041  0.655489  1
  Fe  Fe65  1  0.855910  0.440649  0.666825  1
  Fe  Fe66  1  0.696997  0.760019  0.678833  1
  Fe  Fe67  1  0.901872  0.068659  0.698612  1
  Fe  Fe68  1  0.736364  0.387671  0.708887  1
  Fe  Fe69  1  0.578759  0.712135  0.722363  1
  Fe  Fe70  1  0.527974  0.069415  0.698706  1
  Fe  Fe71  1  0.373410  0.389582  0.708995  1
  Fe  Fe72  1  0.206801  0.713009  0.722361  1
  C  C73  1  0.396924  0.703881  0.284814  1
  C  C74  1  0.240483  0.016304  0.296614  1
  C  C75  1  0.076443  0.343689  0.308481  1
  C  C76  1  0.919139  0.658613  0.322126  1
  C  C77  1  0.762115  0.972790  0.324475  1
  C  C78  1  0.606313  0.284262  0.346277  1
  C  C79  1  0.448162  0.600589  0.357367  1
  C  C80  1  0.291190  0.914686  0.369154  1
  C  C81  1  0.134868  0.227423  0.381776  1
  C  C82  1  0.979167  0.538827  0.394179  1
  C  C83  1  0.821391  0.854525  0.407317  1
  C  C84  1  0.664603  0.168196  0.419505  1
  C  C85  1  0.508426  0.480609  0.431738  1
  C  C86  1  0.351430  0.794675  0.444177  1
  C  C87  1  0.194520  0.108606  0.456417  1
  C  C88  1  0.037787  0.422169  0.468655  1
  C  C89  1  0.880951  0.735905  0.480971  1
  C  C90  1  0.724151  0.049560  0.493325  1
  C  C91  1  0.567221  0.363489  0.505754  1
  C  C92  1  0.410421  0.677144  0.518107  1
  C  C93  1  0.253585  0.990880  0.530424  1
  C  C94  1  0.096852  0.304443  0.542661  1
  C  C95  1  0.939941  0.618375  0.554902  1
  C  C96  1  0.782946  0.932440  0.567341  1
  C  C97  1  0.626769  0.244854  0.579573  1
  C  C98  1  0.469981  0.558524  0.591761  1
  C  C99  1  0.312205  0.874223  0.604899  1
  C  C100  1  0.156504  0.185626  0.617303  1
  C  C101  1  0.000181  0.498363  0.629925  1
  C  C102  1  0.843209  0.812461  0.641712  1
  C  C103  1  0.685059  0.128787  0.652801  1
  C  C104  1  0.529257  0.440260  0.674604  1
  C  C105  1  0.372233  0.754436  0.676952  1
  C  C106  1  0.214929  0.069361  0.690597  1
  C  C107  1  0.050889  0.396746  0.702464  1
  C  C108  1  0.894448  0.709168  0.714264  1
