# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75926246
_cell_length_b   6.42011957
_cell_length_c   48.22770900
_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   'Fe84 C28'
_cell_volume   2402.48226685
_cell_formula_units_Z   28
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  0.346021  0.488660  0.278310  1
  Fe  Fe2  1  0.841933  0.236895  0.311140  1
  Fe  Fe3  1  0.158567  0.645977  0.322211  1
  Fe  Fe4  1  0.656110  0.891491  0.288831  1
  Fe  Fe5  1  0.331478  0.898296  0.290414  1
  Fe  Fe6  1  0.844584  0.645772  0.322858  1
  Fe  Fe7  1  0.995623  0.468222  0.278718  1
  Fe  Fe8  1  0.500272  0.224931  0.311486  1
  Fe  Fe9  1  0.159521  0.236674  0.309763  1
  Fe  Fe10  1  0.663919  0.480498  0.277166  1
  Fe  Fe11  1  0.002794  0.912934  0.287268  1
  Fe  Fe12  1  0.497694  0.661117  0.320238  1
  Fe  Fe13  1  0.344632  0.991922  0.342676  1
  Fe  Fe14  1  0.843386  0.747143  0.376485  1
  Fe  Fe15  1  0.159763  0.157572  0.388698  1
  Fe  Fe16  1  0.656500  0.402103  0.356112  1
  Fe  Fe17  1  0.342594  0.402354  0.355934  1
  Fe  Fe18  1  0.844292  0.156450  0.388919  1
  Fe  Fe19  1  0.999908  0.978960  0.344924  1
  Fe  Fe20  1  0.500561  0.733459  0.378573  1
  Fe  Fe21  1  0.157064  0.749413  0.376748  1
  Fe  Fe22  1  0.657513  0.992740  0.343253  1
  Fe  Fe23  1  0.001138  0.413966  0.353987  1
  Fe  Fe24  1  0.500387  0.170740  0.387149  1
  Fe  Fe25  1  0.343198  0.504546  0.410012  1
  Fe  Fe26  1  0.843407  0.261529  0.443432  1
  Fe  Fe27  1  0.158258  0.671077  0.455672  1
  Fe  Fe28  1  0.658738  0.914263  0.422181  1
  Fe  Fe29  1  0.344070  0.913827  0.422390  1
  Fe  Fe30  1  0.843547  0.670787  0.455790  1
  Fe  Fe31  1  0.000650  0.490471  0.412072  1
  Fe  Fe32  1  0.500384  0.247365  0.445216  1
  Fe  Fe33  1  0.158472  0.261064  0.443434  1
  Fe  Fe34  1  0.658237  0.504484  0.410104  1
  Fe  Fe35  1  1.000312  0.928536  0.420434  1
  Fe  Fe36  1  0.500292  0.685215  0.453854  1
  Fe  Fe37  1  0.343701  0.018227  0.476665  1
  Fe  Fe38  1  0.843488  0.774558  0.509964  1
  Fe  Fe39  1  0.158480  0.184521  0.522400  1
  Fe  Fe40  1  0.657992  0.427659  0.489062  1
  Fe  Fe41  1  0.343488  0.427695  0.489196  1
  Fe  Fe42  1  0.843701  0.184026  0.522495  1
  Fe  Fe43  1  1.000340  0.004349  0.478526  1
  Fe  Fe44  1  0.500371  0.760775  0.511939  1
  Fe  Fe45  1  0.157992  0.774594  0.510097  1
  Fe  Fe46  1  0.658480  0.017732  0.476760  1
  Fe  Fe47  1  1.000371  0.441478  0.487220  1
  Fe  Fe48  1  0.500340  0.197904  0.520633  1
  Fe  Fe49  1  0.343547  0.531466  0.543369  1
  Fe  Fe50  1  0.844070  0.288426  0.576769  1
  Fe  Fe51  1  0.158237  0.697769  0.589055  1
  Fe  Fe52  1  0.658472  0.941189  0.555725  1
  Fe  Fe53  1  0.343407  0.940724  0.555727  1
  Fe  Fe54  1  0.843198  0.697707  0.589148  1
  Fe  Fe55  1  1.000292  0.517038  0.545306  1
  Fe  Fe56  1  0.500312  0.273717  0.578726  1
  Fe  Fe57  1  0.158738  0.287990  0.576978  1
  Fe  Fe58  1  0.658258  0.531176  0.543487  1
  Fe  Fe59  1  1.000384  0.954888  0.553943  1
  Fe  Fe60  1  0.500650  0.711782  0.587088  1
  Fe  Fe61  1  0.344292  0.045803  0.610241  1
  Fe  Fe62  1  0.842594  0.799898  0.643226  1
  Fe  Fe63  1  0.157513  0.209513  0.655906  1
  Fe  Fe64  1  0.657064  0.452840  0.622411  1
  Fe  Fe65  1  0.343386  0.455109  0.622675  1
  Fe  Fe66  1  0.844632  0.210331  0.656483  1
  Fe  Fe67  1  1.000387  0.031513  0.612010  1
  Fe  Fe68  1  0.501138  0.788286  0.645172  1
  Fe  Fe69  1  0.156500  0.800150  0.643047  1
  Fe  Fe70  1  0.659763  0.044680  0.610461  1
  Fe  Fe71  1  0.000561  0.468794  0.620587  1
  Fe  Fe72  1  0.499908  0.223293  0.654235  1
  Fe  Fe73  1  0.344584  0.556481  0.676301  1
  Fe  Fe74  1  0.831478  0.303957  0.708746  1
  Fe  Fe75  1  0.163919  0.721755  0.721993  1
  Fe  Fe76  1  0.659521  0.965579  0.689396  1
  Fe  Fe77  1  0.341933  0.965358  0.688020  1
  Fe  Fe78  1  0.846021  0.713593  0.720849  1
  Fe  Fe79  1  0.997694  0.541136  0.678921  1
  Fe  Fe80  1  0.502794  0.289319  0.711891  1
  Fe  Fe81  1  0.156110  0.310761  0.710328  1
  Fe  Fe82  1  0.658567  0.556275  0.676948  1
  Fe  Fe83  1  1.000272  0.977322  0.687673  1
  Fe  Fe84  1  0.495623  0.734031  0.720441  1
  C  C85  1  0.162713  0.686969  0.282751  1
  C  C86  1  0.666241  0.443521  0.316696  1
  C  C87  1  0.334535  0.191153  0.282224  1
  C  C88  1  0.832741  0.940130  0.315996  1
  C  C89  1  0.168216  0.196052  0.349214  1
  C  C90  1  0.667383  0.952376  0.382693  1
  C  C91  1  0.333170  0.697562  0.349615  1
  C  C92  1  0.834421  0.452121  0.382998  1
  C  C93  1  0.167142  0.709747  0.416197  1
  C  C94  1  0.666964  0.466286  0.449588  1
  C  C95  1  0.333863  0.209137  0.416180  1
  C  C96  1  0.833826  0.966016  0.449491  1
  C  C97  1  0.167283  0.222849  0.482918  1
  C  C98  1  0.667283  0.979404  0.516242  1
  C  C99  1  0.333791  0.722936  0.482903  1
  C  C100  1  0.833791  0.479317  0.516256  1
  C  C101  1  0.166964  0.735967  0.549572  1
  C  C102  1  0.667142  0.492506  0.582962  1
  C  C103  1  0.333826  0.236237  0.549668  1
  C  C104  1  0.833863  0.993116  0.582979  1
  C  C105  1  0.167383  0.249877  0.616466  1
  C  C106  1  0.668216  0.006201  0.649946  1
  C  C107  1  0.334421  0.750132  0.616161  1
  C  C108  1  0.833170  0.504691  0.649544  1
  C  C109  1  0.166241  0.758732  0.682463  1
  C  C110  1  0.662713  0.515284  0.716408  1
  C  C111  1  0.332741  0.262123  0.683164  1
  C  C112  1  0.834535  0.011099  0.716936  1
