# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60797282
_cell_length_b   6.86028108
_cell_length_c   45.29610937
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.02027790
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe80 C32'
_cell_volume   2033.50576465
_cell_formula_units_Z   16
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  0.380589  0.182892  0.328541  1
  Fe  Fe2  1  0.348108  0.290824  0.278489  1
  Fe  Fe3  1  0.662596  0.738979  0.290152  1
  Fe  Fe4  1  0.748870  0.964373  0.330942  1
  Fe  Fe5  1  0.977236  0.509032  0.276682  1
  Fe  Fe6  1  0.250738  0.976295  0.291925  1
  Fe  Fe7  1  0.737483  0.164959  0.290812  1
  Fe  Fe8  1  0.475685  0.492894  0.315267  1
  Fe  Fe9  1  0.070583  0.735628  0.315830  1
  Fe  Fe10  1  0.991208  0.302634  0.316066  1
  Fe  Fe11  1  0.812169  0.499735  0.383827  1
  Fe  Fe12  1  0.777137  0.604935  0.334401  1
  Fe  Fe13  1  0.090821  0.050882  0.346537  1
  Fe  Fe14  1  0.182051  0.278163  0.386423  1
  Fe  Fe15  1  0.407829  0.824422  0.331840  1
  Fe  Fe16  1  0.682688  0.295705  0.347466  1
  Fe  Fe17  1  0.166994  0.483504  0.347129  1
  Fe  Fe18  1  0.906420  0.807600  0.370907  1
  Fe  Fe19  1  0.498375  0.052500  0.371958  1
  Fe  Fe20  1  0.419825  0.621631  0.371479  1
  Fe  Fe21  1  0.243429  0.814541  0.439401  1
  Fe  Fe22  1  0.207060  0.919058  0.389877  1
  Fe  Fe23  1  0.521918  0.366231  0.402044  1
  Fe  Fe24  1  0.612925  0.593430  0.441910  1
  Fe  Fe25  1  0.838200  0.140535  0.387554  1
  Fe  Fe26  1  0.113640  0.612456  0.402866  1
  Fe  Fe27  1  0.599267  0.798088  0.402339  1
  Fe  Fe28  1  0.337516  0.122552  0.426557  1
  Fe  Fe29  1  0.930455  0.367510  0.427440  1
  Fe  Fe30  1  0.852319  0.935698  0.427103  1
  Fe  Fe31  1  0.673939  0.129877  0.494943  1
  Fe  Fe32  1  0.638861  0.234819  0.445653  1
  Fe  Fe33  1  0.952468  0.681311  0.457606  1
  Fe  Fe34  1  0.043575  0.908855  0.497514  1
  Fe  Fe35  1  0.269022  0.455722  0.443084  1
  Fe  Fe36  1  0.544411  0.926542  0.458528  1
  Fe  Fe37  1  0.029746  0.113427  0.457899  1
  Fe  Fe38  1  0.768212  0.438082  0.482076  1
  Fe  Fe39  1  0.360377  0.683326  0.483007  1
  Fe  Fe40  1  0.283037  0.251075  0.482682  1
  Fe  Fe41  1  0.104335  0.445185  0.550518  1
  Fe  Fe42  1  0.069256  0.550127  0.501228  1
  Fe  Fe43  1  0.382818  0.996678  0.513164  1
  Fe  Fe44  1  0.474174  0.224282  0.553087  1
  Fe  Fe45  1  0.699621  0.771149  0.498657  1
  Fe  Fe46  1  0.974984  0.241922  0.514095  1
  Fe  Fe47  1  0.460158  0.428929  0.513489  1
  Fe  Fe48  1  0.198784  0.753462  0.537643  1
  Fe  Fe49  1  0.790728  0.998693  0.538565  1
  Fe  Fe50  1  0.713450  0.566577  0.538272  1
  Fe  Fe51  1  0.536135  0.760946  0.606294  1
  Fe  Fe52  1  0.499767  0.865463  0.556770  1
  Fe  Fe53  1  0.812741  0.312494  0.568731  1
  Fe  Fe54  1  0.904996  0.539469  0.608617  1
  Fe  Fe55  1  0.130271  0.086575  0.554261  1
  Fe  Fe56  1  0.405680  0.557452  0.569614  1
  Fe  Fe57  1  0.890877  0.744306  0.569068  1
  Fe  Fe58  1  0.629555  0.067548  0.593305  1
  Fe  Fe59  1  0.221277  0.313773  0.594127  1
  Fe  Fe60  1  0.143928  0.881916  0.593832  1
  Fe  Fe61  1  0.966058  0.075069  0.661770  1
  Fe  Fe62  1  0.931026  0.180269  0.612344  1
  Fe  Fe63  1  0.244821  0.627504  0.624213  1
  Fe  Fe64  1  0.335366  0.855582  0.664331  1
  Fe  Fe65  1  0.561144  0.401841  0.609748  1
  Fe  Fe66  1  0.836776  0.872404  0.625264  1
  Fe  Fe67  1  0.323370  0.058373  0.624692  1
  Fe  Fe68  1  0.060507  0.384299  0.648705  1
  Fe  Fe69  1  0.652374  0.629122  0.649634  1
  Fe  Fe70  1  0.576202  0.196500  0.649042  1
  Fe  Fe71  1  0.395087  0.389180  0.717682  1
  Fe  Fe72  1  0.362607  0.497112  0.667630  1
  Fe  Fe73  1  0.672613  0.944376  0.680341  1
  Fe  Fe74  1  0.765959  0.170972  0.719489  1
  Fe  Fe75  1  0.994326  0.715632  0.665229  1
  Fe  Fe76  1  0.267510  0.187110  0.680904  1
  Fe  Fe77  1  0.751988  0.377370  0.680105  1
  Fe  Fe78  1  0.492458  0.703709  0.704246  1
  Fe  Fe79  1  0.080600  0.941025  0.706019  1
  Fe  Fe80  1  0.005712  0.515045  0.705359  1
  C  C81  1  0.978786  0.019371  0.307942  1
  C  C82  1  0.196652  0.476156  0.304891  1
  C  C83  1  0.529457  0.992219  0.302718  1
  C  C84  1  0.748688  0.450322  0.299647  1
  C  C85  1  0.410465  0.336329  0.363369  1
  C  C86  1  0.627118  0.796041  0.360064  1
  C  C87  1  0.961955  0.307524  0.358317  1
  C  C88  1  0.177849  0.768346  0.354719  1
  C  C89  1  0.841726  0.651030  0.418893  1
  C  C90  1  0.058431  0.110574  0.415635  1
  C  C91  1  0.393051  0.622987  0.413768  1
  C  C92  1  0.609679  0.082941  0.410630  1
  C  C93  1  0.272198  0.966315  0.474446  1
  C  C94  1  0.488887  0.426556  0.471226  1
  C  C95  1  0.823752  0.938050  0.469367  1
  C  C96  1  0.040499  0.398336  0.466184  1
  C  C97  1  0.702697  0.281668  0.529987  1
  C  C98  1  0.919444  0.741954  0.526804  1
  C  C99  1  0.254309  0.253448  0.524945  1
  C  C100  1  0.470997  0.713690  0.521725  1
  C  C101  1  0.133517  0.597063  0.585541  1
  C  C102  1  0.350144  0.057017  0.582403  1
  C  C103  1  0.684765  0.569430  0.580536  1
  C  C104  1  0.901470  0.028974  0.577278  1
  C  C105  1  0.565346  0.911658  0.641452  1
  C  C106  1  0.781241  0.372480  0.637854  1
  C  C107  1  0.116077  0.883963  0.636107  1
  C  C108  1  0.332730  0.343675  0.632802  1
  C  C109  1  0.994507  0.229682  0.696524  1
  C  C110  1  0.213738  0.687786  0.693453  1
  C  C111  1  0.546543  0.203848  0.691280  1
  C  C112  1  0.764410  0.660633  0.688229  1
