# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48083942
_cell_length_b   9.02484886
_cell_length_c   51.49912257
_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   'Fe72 C24'
_cell_volume   2082.56779127
_cell_formula_units_Z   24
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  0.835340  0.176364  0.299998  1
  Fe  Fe2  1  0.344178  0.802157  0.338786  1
  Fe  Fe3  1  0.654271  0.443894  0.324826  1
  Fe  Fe4  1  0.178228  0.814325  0.286848  1
  Fe  Fe5  1  0.184758  0.557455  0.313213  1
  Fe  Fe6  1  0.672778  0.929735  0.276149  1
  Fe  Fe7  1  0.345687  0.317651  0.286876  1
  Fe  Fe8  1  0.841571  0.942789  0.323610  1
  Fe  Fe9  1  0.817729  0.432786  0.274494  1
  Fe  Fe10  1  0.317768  0.059234  0.311884  1
  Fe  Fe11  1  0.157193  0.302928  0.339086  1
  Fe  Fe12  1  0.659283  0.677711  0.299632  1
  Fe  Fe13  1  0.843372  0.433147  0.377453  1
  Fe  Fe14  1  0.343171  0.063132  0.415548  1
  Fe  Fe15  1  0.656538  0.701089  0.401379  1
  Fe  Fe16  1  0.157974  0.069254  0.362709  1
  Fe  Fe17  1  0.187809  0.816897  0.389058  1
  Fe  Fe18  1  0.683678  0.186360  0.350956  1
  Fe  Fe19  1  0.341801  0.570487  0.362911  1
  Fe  Fe20  1  0.842559  0.199699  0.401537  1
  Fe  Fe21  1  0.816171  0.686950  0.350683  1
  Fe  Fe22  1  0.313459  0.317122  0.389487  1
  Fe  Fe23  1  0.157380  0.563456  0.415571  1
  Fe  Fe24  1  0.658848  0.934464  0.376724  1
  Fe  Fe25  1  0.842586  0.693411  0.454113  1
  Fe  Fe26  1  0.342446  0.323906  0.492678  1
  Fe  Fe27  1  0.657683  0.960472  0.478360  1
  Fe  Fe28  1  0.157192  0.330725  0.439945  1
  Fe  Fe29  1  0.184852  0.077173  0.466310  1
  Fe  Fe30  1  0.685345  0.446912  0.427761  1
  Fe  Fe31  1  0.342935  0.830803  0.439793  1
  Fe  Fe32  1  0.842574  0.461083  0.478361  1
  Fe  Fe33  1  0.816332  0.946778  0.427633  1
  Fe  Fe34  1  0.315515  0.577194  0.466237  1
  Fe  Fe35  1  0.157566  0.823980  0.492555  1
  Fe  Fe36  1  0.657014  0.193303  0.454242  1
  Fe  Fe37  1  0.842614  0.953909  0.531125  1
  Fe  Fe38  1  0.342811  0.584080  0.569679  1
  Fe  Fe39  1  0.657212  0.221435  0.555333  1
  Fe  Fe40  1  0.157468  0.590988  0.516924  1
  Fe  Fe41  1  0.185311  0.337682  0.543220  1
  Fe  Fe42  1  0.686214  0.707458  0.504740  1
  Fe  Fe43  1  0.342488  0.090969  0.516858  1
  Fe  Fe44  1  0.842532  0.721390  0.555356  1
  Fe  Fe45  1  0.814501  0.207483  0.504775  1
  Fe  Fe46  1  0.315268  0.837641  0.543229  1
  Fe  Fe47  1  0.157406  0.084384  0.569605  1
  Fe  Fe48  1  0.657604  0.454299  0.531117  1
  Fe  Fe49  1  0.842926  0.215063  0.608031  1
  Fe  Fe50  1  0.341875  0.845600  0.646547  1
  Fe  Fe51  1  0.658203  0.481081  0.632649  1
  Fe  Fe52  1  0.157244  0.851671  0.593849  1
  Fe  Fe53  1  0.186919  0.598252  0.620401  1
  Fe  Fe54  1  0.685010  0.968007  0.581724  1
  Fe  Fe55  1  0.342890  0.351795  0.593947  1
  Fe  Fe56  1  0.844197  0.982228  0.632212  1
  Fe  Fe57  1  0.816020  0.468113  0.581831  1
  Fe  Fe58  1  0.314951  0.098307  0.620187  1
  Fe  Fe59  1  0.157210  0.344312  0.646688  1
  Fe  Fe60  1  0.656992  0.714295  0.608094  1
  Fe  Fe61  1  0.842597  0.471906  0.685437  1
  Fe  Fe62  1  0.351522  0.104156  0.722095  1
  Fe  Fe63  1  0.655763  0.736852  0.709430  1
  Fe  Fe64  1  0.159698  0.109739  0.671145  1
  Fe  Fe65  1  0.184106  0.857425  0.695883  1
  Fe  Fe66  1  0.689228  0.228022  0.658924  1
  Fe  Fe67  1  0.341809  0.611069  0.670541  1
  Fe  Fe68  1  0.834765  0.237932  0.709571  1
  Fe  Fe69  1  0.811957  0.727603  0.658520  1
  Fe  Fe70  1  0.312959  0.355427  0.697243  1
  Fe  Fe71  1  0.182837  0.605436  0.722283  1
  Fe  Fe72  1  0.656868  0.973209  0.684919  1
  C  C73  1  0.492964  0.121993  0.279649  1
  C  C74  1  0.000492  0.747062  0.318690  1
  C  C75  1  0.996985  0.369949  0.306543  1
  C  C76  1  0.499807  0.998291  0.343933  1
  C  C77  1  0.500503  0.375156  0.357500  1
  C  C78  1  0.000893  0.004864  0.395536  1
  C  C79  1  0.999210  0.629034  0.382857  1
  C  C80  1  0.499904  0.258377  0.421461  1
  C  C81  1  0.499890  0.635358  0.434138  1
  C  C82  1  0.999768  0.265674  0.472717  1
  C  C83  1  1.000140  0.888740  0.459765  1
  C  C84  1  0.499995  0.519223  0.498343  1
  C  C85  1  0.500075  0.895704  0.511143  1
  C  C86  1  1.000085  0.526059  0.549705  1
  C  C87  1  0.999892  0.149249  0.536825  1
  C  C88  1  0.499830  0.779523  0.575323  1
  C  C89  1  0.500039  0.156544  0.588123  1
  C  C90  1  0.999665  0.786449  0.626605  1
  C  C91  1  0.000499  0.410142  0.613937  1
  C  C92  1  0.501744  0.040486  0.652198  1
  C  C93  1  0.499724  0.415409  0.665348  1
  C  C94  1  0.998510  0.043987  0.703743  1
  C  C95  1  0.998131  0.668174  0.690467  1
  C  C96  1  0.495206  0.300144  0.729600  1
