# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55866807
_cell_length_b   6.63453470
_cell_length_c   49.84245698
_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   2168.83026292
_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  0.248975  0.399257  0.330013  1
  Fe  Fe2  1  0.748975  0.952511  0.321539  1
  Fe  Fe3  1  0.248975  0.545590  0.286595  1
  Fe  Fe4  1  0.748975  0.119576  0.279782  1
  Fe  Fe5  1  0.423343  0.053858  0.309331  1
  Fe  Fe6  1  0.568600  0.778276  0.279059  1
  Fe  Fe7  1  0.070890  0.723359  0.331354  1
  Fe  Fe8  1  0.925185  0.445490  0.301325  1
  Fe  Fe9  1  0.572765  0.445490  0.301325  1
  Fe  Fe10  1  0.427059  0.723359  0.331354  1
  Fe  Fe11  1  0.929350  0.778276  0.279059  1
  Fe  Fe12  1  0.074606  0.053858  0.309331  1
  Fe  Fe13  1  0.248975  0.945108  0.394962  1
  Fe  Fe14  1  0.748975  0.498293  0.386593  1
  Fe  Fe15  1  0.248975  0.092647  0.353368  1
  Fe  Fe16  1  0.748975  0.647908  0.345027  1
  Fe  Fe17  1  0.421824  0.601006  0.375427  1
  Fe  Fe18  1  0.573072  0.317089  0.343980  1
  Fe  Fe19  1  0.073375  0.273991  0.396871  1
  Fe  Fe20  1  0.922899  0.990180  0.364946  1
  Fe  Fe21  1  0.575051  0.990180  0.364946  1
  Fe  Fe22  1  0.424574  0.273991  0.396871  1
  Fe  Fe23  1  0.924877  0.317089  0.343980  1
  Fe  Fe24  1  0.076125  0.601006  0.375427  1
  Fe  Fe25  1  0.248975  0.490449  0.459875  1
  Fe  Fe26  1  0.748975  0.044319  0.451587  1
  Fe  Fe27  1  0.248975  0.639398  0.418881  1
  Fe  Fe28  1  0.748975  0.192771  0.410737  1
  Fe  Fe29  1  0.421926  0.148070  0.440599  1
  Fe  Fe30  1  0.571751  0.866003  0.409003  1
  Fe  Fe31  1  0.071706  0.817100  0.461392  1
  Fe  Fe32  1  0.921804  0.535575  0.429887  1
  Fe  Fe33  1  0.576145  0.535575  0.429887  1
  Fe  Fe34  1  0.426243  0.817100  0.461392  1
  Fe  Fe35  1  0.926198  0.866003  0.409003  1
  Fe  Fe36  1  0.076023  0.148070  0.440599  1
  Fe  Fe37  1  0.248975  0.038468  0.525073  1
  Fe  Fe38  1  0.748975  0.591506  0.516681  1
  Fe  Fe39  1  0.248975  0.185704  0.483869  1
  Fe  Fe40  1  0.748975  0.738741  0.475478  1
  Fe  Fe41  1  0.422608  0.693936  0.505513  1
  Fe  Fe42  1  0.573745  0.409418  0.473756  1
  Fe  Fe43  1  0.073748  0.367792  0.526795  1
  Fe  Fe44  1  0.922608  0.083274  0.495038  1
  Fe  Fe45  1  0.575342  0.083274  0.495038  1
  Fe  Fe46  1  0.424202  0.367792  0.526795  1
  Fe  Fe47  1  0.924204  0.409418  0.473756  1
  Fe  Fe48  1  0.075341  0.693936  0.505513  1
  Fe  Fe49  1  0.248975  0.584433  0.589814  1
  Fe  Fe50  1  0.748975  0.137811  0.581669  1
  Fe  Fe51  1  0.248975  0.732892  0.548964  1
  Fe  Fe52  1  0.748975  0.286761  0.540676  1
  Fe  Fe53  1  0.421804  0.241634  0.570663  1
  Fe  Fe54  1  0.571706  0.960110  0.539159  1
  Fe  Fe55  1  0.071754  0.911208  0.591547  1
  Fe  Fe56  1  0.921926  0.629139  0.559952  1
  Fe  Fe57  1  0.576023  0.629139  0.559952  1
  Fe  Fe58  1  0.426195  0.911208  0.591547  1
  Fe  Fe59  1  0.926243  0.960110  0.539159  1
  Fe  Fe60  1  0.076146  0.241634  0.570663  1
  Fe  Fe61  1  0.248975  0.129300  0.655523  1
  Fe  Fe62  1  0.748975  0.684562  0.647183  1
  Fe  Fe63  1  0.248975  0.278916  0.613957  1
  Fe  Fe64  1  0.748975  0.832102  0.605588  1
  Fe  Fe65  1  0.422899  0.787029  0.635604  1
  Fe  Fe66  1  0.573375  0.503219  0.603679  1
  Fe  Fe67  1  0.073074  0.460122  0.656570  1
  Fe  Fe68  1  0.921824  0.176203  0.625124  1
  Fe  Fe69  1  0.576125  0.176203  0.625124  1
  Fe  Fe70  1  0.424875  0.460122  0.656570  1
  Fe  Fe71  1  0.924574  0.503219  0.603679  1
  Fe  Fe72  1  0.075050  0.787029  0.635604  1
  Fe  Fe73  1  0.248975  0.657633  0.720768  1
  Fe  Fe74  1  0.748975  0.231619  0.713955  1
  Fe  Fe75  1  0.248975  0.824698  0.679011  1
  Fe  Fe76  1  0.748975  0.377953  0.670537  1
  Fe  Fe77  1  0.425185  0.331719  0.699225  1
  Fe  Fe78  1  0.570891  0.053850  0.669196  1
  Fe  Fe79  1  0.068600  0.998933  0.721491  1
  Fe  Fe80  1  0.923342  0.723352  0.691219  1
  Fe  Fe81  1  0.574607  0.723352  0.691219  1
  Fe  Fe82  1  0.429349  0.998933  0.721491  1
  Fe  Fe83  1  0.927059  0.053850  0.669196  1
  Fe  Fe84  1  0.072765  0.331719  0.699225  1
  C  C85  1  0.248975  0.264171  0.295934  1
  C  C86  1  0.748975  0.684941  0.306795  1
  C  C87  1  0.248975  0.808339  0.302888  1
  C  C88  1  0.748975  0.237837  0.314988  1
  C  C89  1  0.248975  0.808600  0.360976  1
  C  C90  1  0.748975  0.228606  0.372504  1
  C  C91  1  0.248975  0.360225  0.368189  1
  C  C92  1  0.748975  0.782557  0.379154  1
  C  C93  1  0.248975  0.354384  0.425845  1
  C  C94  1  0.748975  0.775262  0.437257  1
  C  C95  1  0.248975  0.908527  0.433183  1
  C  C96  1  0.748975  0.329477  0.444720  1
  C  C97  1  0.248975  0.901167  0.491143  1
  C  C98  1  0.748975  0.322262  0.502432  1
  C  C99  1  0.248975  0.454948  0.498118  1
  C  C100  1  0.748975  0.876042  0.509407  1
  C  C101  1  0.248975  0.447733  0.555831  1
  C  C102  1  0.748975  0.868682  0.567368  1
  C  C103  1  0.248975  0.001949  0.563293  1
  C  C104  1  0.748975  0.422825  0.574705  1
  C  C105  1  0.248975  0.994651  0.621397  1
  C  C106  1  0.748975  0.416985  0.632361  1
  C  C107  1  0.248975  0.548604  0.628046  1
  C  C108  1  0.748975  0.968609  0.639574  1
  C  C109  1  0.248975  0.539372  0.685563  1
  C  C110  1  0.748975  0.968870  0.697662  1
  C  C111  1  0.248975  0.092269  0.693756  1
  C  C112  1  0.748975  0.513038  0.704617  1
