# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48172063
_cell_length_b   6.41222330
_cell_length_c   47.53533561
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.58727111
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe42 C14'
_cell_volume   1280.27823064
_cell_formula_units_Z   14
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  0.295741  0.599963  0.289022  1
  Fe  Fe2  1  0.933160  0.028092  0.296691  1
  Fe  Fe3  1  0.099482  0.742397  0.338961  1
  Fe  Fe4  1  0.465799  0.321229  0.328290  1
  Fe  Fe5  1  0.870998  0.454309  0.308068  1
  Fe  Fe6  1  0.503429  0.875848  0.319629  1
  Fe  Fe7  1  0.045831  0.164909  0.351184  1
  Fe  Fe8  1  0.631385  0.614126  0.358994  1
  Fe  Fe9  1  0.804698  0.328205  0.401985  1
  Fe  Fe10  1  0.172444  0.905923  0.390308  1
  Fe  Fe11  1  0.582396  0.035723  0.370559  1
  Fe  Fe12  1  0.209849  0.458447  0.382196  1
  Fe  Fe13  1  0.750052  0.750075  0.413548  1
  Fe  Fe14  1  0.341025  0.197119  0.421667  1
  Fe  Fe15  1  0.513130  0.912033  0.464496  1
  Fe  Fe16  1  0.880212  0.489392  0.452751  1
  Fe  Fe17  1  0.288690  0.619890  0.433140  1
  Fe  Fe18  1  0.918135  0.042579  0.444740  1
  Fe  Fe19  1  0.458177  0.334114  0.476159  1
  Fe  Fe20  1  0.049398  0.780719  0.484232  1
  Fe  Fe21  1  0.221381  0.495511  0.526993  1
  Fe  Fe22  1  0.588322  0.072953  0.515344  1
  Fe  Fe23  1  0.995955  0.203745  0.495733  1
  Fe  Fe24  1  0.626350  0.626342  0.507246  1
  Fe  Fe25  1  0.166340  0.917693  0.538727  1
  Fe  Fe26  1  0.757210  0.364497  0.546752  1
  Fe  Fe27  1  0.929375  0.079549  0.589549  1
  Fe  Fe28  1  0.296112  0.656976  0.577950  1
  Fe  Fe29  1  0.704530  0.787563  0.558314  1
  Fe  Fe30  1  0.334073  0.209919  0.569822  1
  Fe  Fe31  1  0.874657  0.501487  0.601131  1
  Fe  Fe32  1  0.465145  0.948356  0.609404  1
  Fe  Fe33  1  0.638327  0.665131  0.652393  1
  Fe  Fe34  1  0.006753  0.242101  0.640304  1
  Fe  Fe35  1  0.413384  0.371654  0.620887  1
  Fe  Fe36  1  0.041369  0.793103  0.632465  1
  Fe  Fe37  1  0.583344  0.086150  0.663166  1
  Fe  Fe38  1  0.176139  0.530543  0.671988  1
  Fe  Fe39  1  0.315587  0.227245  0.710401  1
  Fe  Fe40  1  0.689209  0.809464  0.702900  1
  Fe  Fe41  1  0.119997  0.952574  0.683449  1
  Fe  Fe42  1  0.749351  0.379045  0.695022  1
  C  C43  1  0.771554  0.028106  0.334129  1
  C  C44  1  0.352211  0.878654  0.281760  1
  C  C45  1  0.475714  0.612694  0.396623  1
  C  C46  1  0.051281  0.459172  0.344635  1
  C  C47  1  0.183887  0.196590  0.459258  1
  C  C48  1  0.760509  0.043252  0.407145  1
  C  C49  1  0.892120  0.780146  0.521818  1
  C  C50  1  0.468689  0.627147  0.469649  1
  C  C51  1  0.599791  0.363977  0.584333  1
  C  C52  1  0.176670  0.210774  0.532215  1
  C  C53  1  0.306135  0.948043  0.646930  1
  C  C54  1  0.884487  0.794924  0.594822  1
  C  C55  1  0.020994  0.528364  0.709629  1
  C  C56  1  0.595624  0.379466  0.657281  1
