# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56549675
_cell_length_b   8.86970350
_cell_length_c   47.62908662
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.48500174
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe80 C32'
_cell_volume   1922.81487489
_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  0.587120  0.335571  0.316716  1
  Fe  Fe2  1  0.787546  0.273716  0.272648  1
  Fe  Fe3  1  0.952011  0.715769  0.295972  1
  Fe  Fe4  1  0.433542  0.619928  0.310461  1
  Fe  Fe5  1  0.944676  0.984559  0.280097  1
  Fe  Fe6  1  0.097582  0.401656  0.307492  1
  Fe  Fe7  1  0.477944  0.508964  0.268050  1
  Fe  Fe8  1  0.284257  0.204474  0.282364  1
  Fe  Fe9  1  0.430038  0.894436  0.292297  1
  Fe  Fe10  1  0.909474  0.096923  0.322751  1
  Fe  Fe11  1  0.514986  0.895840  0.375235  1
  Fe  Fe12  1  0.725278  0.831098  0.332040  1
  Fe  Fe13  1  0.880150  0.276369  0.355852  1
  Fe  Fe14  1  0.363817  0.180672  0.368664  1
  Fe  Fe15  1  0.877965  0.547375  0.339028  1
  Fe  Fe16  1  0.026742  0.960927  0.365987  1
  Fe  Fe17  1  0.404250  0.069917  0.326089  1
  Fe  Fe18  1  0.213932  0.766136  0.341506  1
  Fe  Fe19  1  0.359704  0.451660  0.351955  1
  Fe  Fe20  1  0.836203  0.657830  0.381562  1
  Fe  Fe21  1  0.442685  0.456251  0.433979  1
  Fe  Fe22  1  0.652992  0.391896  0.391270  1
  Fe  Fe23  1  0.808765  0.836957  0.414602  1
  Fe  Fe24  1  0.291527  0.741350  0.427490  1
  Fe  Fe25  1  0.804152  0.106693  0.397729  1
  Fe  Fe26  1  0.955237  0.522233  0.424934  1
  Fe  Fe27  1  0.332582  0.630328  0.384927  1
  Fe  Fe28  1  0.140594  0.325859  0.400333  1
  Fe  Fe29  1  0.286727  0.011229  0.410620  1
  Fe  Fe30  1  0.763692  0.218089  0.440293  1
  Fe  Fe31  1  0.370646  0.016721  0.492767  1
  Fe  Fe32  1  0.580829  0.952260  0.450033  1
  Fe  Fe33  1  0.736714  0.397344  0.473378  1
  Fe  Fe34  1  0.219474  0.301722  0.486271  1
  Fe  Fe35  1  0.732003  0.667215  0.456553  1
  Fe  Fe36  1  0.883053  0.082560  0.483684  1
  Fe  Fe37  1  0.259957  0.190464  0.443713  1
  Fe  Fe38  1  0.068440  0.886423  0.459102  1
  Fe  Fe39  1  0.214889  0.571618  0.469439  1
  Fe  Fe40  1  0.691629  0.778496  0.499077  1
  Fe  Fe41  1  0.298667  0.577124  0.551557  1
  Fe  Fe42  1  0.508850  0.512664  0.508824  1
  Fe  Fe43  1  0.664607  0.957767  0.532151  1
  Fe  Fe44  1  0.147492  0.862169  0.545037  1
  Fe  Fe45  1  0.660021  0.227662  0.515319  1
  Fe  Fe46  1  0.811055  0.642961  0.542489  1
  Fe  Fe47  1  0.187866  0.750888  0.502514  1
  Fe  Fe48  1  0.996442  0.446824  0.517906  1
  Fe  Fe49  1  0.142781  0.132040  0.528212  1
  Fe  Fe50  1  0.619538  0.338920  0.557877  1
  Fe  Fe51  1  0.226504  0.137488  0.610320  1
  Fe  Fe52  1  0.436810  0.073133  0.567611  1
  Fe  Fe53  1  0.592768  0.518155  0.590971  1
  Fe  Fe54  1  0.075343  0.422691  0.603862  1
  Fe  Fe55  1  0.587968  0.788035  0.574100  1
  Fe  Fe56  1  0.738901  0.203525  0.601258  1
  Fe  Fe57  1  0.115803  0.311296  0.561298  1
  Fe  Fe58  1  0.924258  0.007152  0.576656  1
  Fe  Fe59  1  0.070730  0.692427  0.586988  1
  Fe  Fe60  1  0.546913  0.899056  0.616663  1
  Fe  Fe61  1  0.154217  0.698286  0.669550  1
  Fe  Fe62  1  0.364510  0.633544  0.626355  1
  Fe  Fe63  1  0.519791  0.077724  0.649635  1
  Fe  Fe64  1  0.001530  0.982009  0.662563  1
  Fe  Fe65  1  0.515678  0.348712  0.632927  1
  Fe  Fe66  1  0.665564  0.763248  0.660085  1
  Fe  Fe67  1  0.043292  0.871554  0.620028  1
  Fe  Fe68  1  0.852754  0.568457  0.635603  1
  Fe  Fe69  1  0.999345  0.253016  0.645739  1
  Fe  Fe70  1  0.475245  0.459467  0.675501  1
  Fe  Fe71  1  0.091949  0.255669  0.728942  1
  Fe  Fe72  1  0.292375  0.193813  0.684874  1
  Fe  Fe73  1  0.449457  0.634948  0.709294  1
  Fe  Fe74  1  0.934819  0.544825  0.721494  1
  Fe  Fe75  1  0.445953  0.909456  0.691129  1
  Fe  Fe76  1  0.595238  0.324910  0.719226  1
  Fe  Fe77  1  0.970022  0.432462  0.678840  1
  Fe  Fe78  1  0.781913  0.127728  0.694098  1
  Fe  Fe79  1  0.927484  0.813615  0.705619  1
  Fe  Fe80  1  0.401551  0.020421  0.733541  1
  C  C81  1  0.307418  0.696756  0.275098  1
  C  C82  1  0.619576  0.095724  0.291488  1
  C  C83  1  0.765975  0.514547  0.299066  1
  C  C84  1  0.086838  0.911535  0.315152  1
  C  C85  1  0.225558  0.255072  0.333563  1
  C  C86  1  0.545552  0.653562  0.350150  1
  C  C87  1  0.695718  0.074178  0.357489  1
  C  C88  1  0.013516  0.472206  0.374170  1
  C  C89  1  0.154405  0.815684  0.392342  1
  C  C90  1  0.472203  0.213163  0.408890  1
  C  C91  1  0.623675  0.634947  0.416366  1
  C  C92  1  0.941189  0.032518  0.432895  1
  C  C93  1  0.082332  0.375993  0.451119  1
  C  C94  1  0.399900  0.773648  0.467681  1
  C  C95  1  0.551564  0.195341  0.475121  1
  C  C96  1  0.869273  0.592941  0.491701  1
  C  C97  1  0.010222  0.936443  0.509890  1
  C  C98  1  0.327931  0.334044  0.526469  1
  C  C99  1  0.479595  0.755736  0.533910  1
  C  C100  1  0.797163  0.153391  0.550472  1
  C  C101  1  0.938306  0.496867  0.568696  1
  C  C102  1  0.255820  0.894437  0.585225  1
  C  C103  1  0.407292  0.316221  0.592700  1
  C  C104  1  0.725091  0.713701  0.609249  1
  C  C105  1  0.865979  0.057179  0.627420  1
  C  C106  1  0.183777  0.455206  0.644101  1
  C  C107  1  0.333943  0.875822  0.651440  1
  C  C108  1  0.653938  0.274312  0.668027  1
  C  C109  1  0.792657  0.617849  0.686438  1
  C  C110  1  0.113520  0.014837  0.702525  1
  C  C111  1  0.259919  0.433660  0.710102  1
  C  C112  1  0.572077  0.832628  0.726493  1
