# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56092366
_cell_length_b   13.06909852
_cell_length_c   51.34154183
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.96603880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe120 C48'
_cell_volume   3056.22386078
_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  0.704049  0.251581  0.279636  1
  Fe  Fe2  1  0.594684  0.579442  0.354830  1
  Fe  Fe3  1  0.652658  0.915221  0.318020  1
  Fe  Fe4  1  0.452642  0.028227  0.347138  1
  Fe  Fe5  1  0.497201  0.362779  0.308622  1
  Fe  Fe6  1  0.398738  0.691602  0.384508  1
  Fe  Fe7  1  0.216611  0.099058  0.381001  1
  Fe  Fe8  1  0.271427  0.436533  0.344162  1
  Fe  Fe9  1  0.330592  0.771778  0.307133  1
  Fe  Fe10  1  0.872518  0.041135  0.277912  1
  Fe  Fe11  1  0.755215  0.363225  0.352106  1
  Fe  Fe12  1  0.813462  0.698630  0.316049  1
  Fe  Fe13  1  0.287077  0.244808  0.349128  1
  Fe  Fe14  1  0.348893  0.582579  0.311980  1
  Fe  Fe15  1  0.235615  0.907982  0.386450  1
  Fe  Fe16  1  0.048932  0.293890  0.385878  1
  Fe  Fe17  1  0.104476  0.630304  0.349108  1
  Fe  Fe18  1  0.164968  0.965591  0.311210  1
  Fe  Fe19  1  0.826750  0.130927  0.315154  1
  Fe  Fe20  1  0.881666  0.467755  0.278612  1
  Fe  Fe21  1  0.775137  0.794574  0.351830  1
  Fe  Fe22  1  0.942028  0.976987  0.352349  1
  Fe  Fe23  1  0.993860  0.315171  0.315533  1
  Fe  Fe24  1  0.057304  0.653854  0.278196  1
  Fe  Fe25  1  0.777830  0.173012  0.356989  1
  Fe  Fe26  1  0.826340  0.509636  0.320872  1
  Fe  Fe27  1  0.849511  0.829188  0.283870  1
  Fe  Fe28  1  0.333932  0.149038  0.312480  1
  Fe  Fe29  1  0.222404  0.478100  0.386727  1
  Fe  Fe30  1  0.275512  0.815782  0.349834  1
  Fe  Fe31  1  0.540464  0.242476  0.391462  1
  Fe  Fe32  1  0.437228  0.569236  0.465606  1
  Fe  Fe33  1  0.488996  0.906279  0.428545  1
  Fe  Fe34  1  0.294393  0.017344  0.458164  1
  Fe  Fe35  1  0.345946  0.354230  0.421213  1
  Fe  Fe36  1  0.242698  0.680780  0.495285  1
  Fe  Fe37  1  0.060930  0.088768  0.492200  1
  Fe  Fe38  1  0.112297  0.425571  0.455190  1
  Fe  Fe39  1  0.164204  0.762517  0.418239  1
  Fe  Fe40  1  0.704849  0.025948  0.389149  1
  Fe  Fe41  1  0.601123  0.352398  0.463293  1
  Fe  Fe42  1  0.653096  0.689373  0.426361  1
  Fe  Fe43  1  0.130744  0.234271  0.460447  1
  Fe  Fe44  1  0.182533  0.571047  0.423528  1
  Fe  Fe45  1  0.079052  0.897558  0.497535  1
  Fe  Fe46  1  0.894006  0.283299  0.496983  1
  Fe  Fe47  1  0.945743  0.620080  0.460009  1
  Fe  Fe48  1  0.997885  0.956950  0.422862  1
  Fe  Fe49  1  0.666319  0.119355  0.425922  1
  Fe  Fe50  1  0.717991  0.456217  0.389043  1
  Fe  Fe51  1  0.613855  0.782365  0.463127  1
  Fe  Fe52  1  0.786027  0.966698  0.463839  1
  Fe  Fe53  1  0.837514  0.303301  0.426690  1
  Fe  Fe54  1  0.889300  0.640424  0.389772  1
  Fe  Fe55  1  0.619235  0.160986  0.468553  1
  Fe  Fe56  1  0.670682  0.497605  0.431671  1
  Fe  Fe57  1  0.722854  0.834613  0.394623  1
  Fe  Fe58  1  0.169508  0.141136  0.423584  1
  Fe  Fe59  1  0.066543  0.467622  0.497700  1
  Fe  Fe60  1  0.117902  0.804420  0.460723  1
  Fe  Fe61  1  0.385564  0.232391  0.502563  1
  Fe  Fe62  1  0.282316  0.558941  0.576635  1
  Fe  Fe63  1  0.333869  0.895827  0.539684  1
  Fe  Fe64  1  0.139266  0.006891  0.569303  1
  Fe  Fe65  1  0.191034  0.343934  0.532242  1
  Fe  Fe66  1  0.087798  0.670695  0.606386  1
  Fe  Fe67  1  0.905408  0.078558  0.603225  1
  Fe  Fe68  1  0.957581  0.415565  0.566177  1
  Fe  Fe69  1  0.009028  0.752184  0.529295  1
  Fe  Fe70  1  0.549210  0.015613  0.500313  1
  Fe  Fe71  1  0.445729  0.342124  0.574320  1
  Fe  Fe72  1  0.497518  0.678900  0.537401  1
  Fe  Fe73  1  0.975166  0.223798  0.571487  1
  Fe  Fe74  1  0.027139  0.560773  0.534555  1
  Fe  Fe75  1  0.923413  0.887223  0.608699  1
  Fe  Fe76  1  0.738962  0.272746  0.608076  1
  Fe  Fe77  1  0.790748  0.609870  0.571158  1
  Fe  Fe78  1  0.842235  0.946473  0.534009  1
  Fe  Fe79  1  0.510360  0.108751  0.537125  1
  Fe  Fe80  1  0.561719  0.445548  0.500148  1
  Fe  Fe81  1  0.458755  0.772034  0.574264  1
  Fe  Fe82  1  0.630377  0.956221  0.574986  1
  Fe  Fe83  1  0.682519  0.293091  0.537839  1
  Fe  Fe84  1  0.734256  0.629871  0.500865  1
  Fe  Fe85  1  0.464058  0.150653  0.579609  1
  Fe  Fe86  1  0.515965  0.487600  0.542658  1
  Fe  Fe87  1  0.567332  0.824403  0.505648  1
  Fe  Fe88  1  0.014408  0.130806  0.534721  1
  Fe  Fe89  1  0.910271  0.456954  0.608805  1
  Fe  Fe90  1  0.961943  0.793816  0.571926  1
  Fe  Fe91  1  0.229524  0.221569  0.613340  1
  Fe  Fe92  1  0.131061  0.550391  0.689226  1
  Fe  Fe93  1  0.175620  0.884944  0.650710  1
  Fe  Fe94  1  0.975604  0.997949  0.679828  1
  Fe  Fe95  1  0.033579  0.333729  0.643018  1
  Fe  Fe96  1  0.924213  0.661590  0.718212  1
  Fe  Fe97  1  0.778751  0.083982  0.713978  1
  Fe  Fe98  1  0.801922  0.403534  0.676976  1
  Fe  Fe99  1  0.850433  0.740159  0.640859  1
  Fe  Fe100  1  0.392648  0.005189  0.611398  1
  Fe  Fe101  1  0.279369  0.330592  0.685868  1
  Fe  Fe102  1  0.341185  0.668363  0.648720  1
  Fe  Fe103  1  0.814800  0.214541  0.681799  1
  Fe  Fe104  1  0.873047  0.549946  0.645742  1
  Fe  Fe105  1  0.755744  0.872036  0.719936  1
  Fe  Fe106  1  0.570958  0.259316  0.719652  1
  Fe  Fe107  1  0.634402  0.598000  0.682315  1
  Fe  Fe108  1  0.686235  0.936184  0.645499  1
  Fe  Fe109  1  0.352750  0.097388  0.648014  1
  Fe  Fe110  1  0.405858  0.435070  0.611121  1
  Fe  Fe111  1  0.294330  0.764133  0.685368  1
  Fe  Fe112  1  0.463294  0.947579  0.686638  1
  Fe  Fe113  1  0.523786  0.282867  0.648739  1
  Fe  Fe114  1  0.579330  0.619281  0.611970  1
  Fe  Fe115  1  0.297670  0.141392  0.690715  1
  Fe  Fe116  1  0.356835  0.476638  0.653686  1
  Fe  Fe117  1  0.411651  0.814113  0.616847  1
  Fe  Fe118  1  0.853125  0.118597  0.646018  1
  Fe  Fe119  1  0.746596  0.445415  0.719236  1
  Fe  Fe120  1  0.801513  0.782244  0.682694  1
  C  C121  1  0.047892  0.175194  0.284940  1
  C  C122  1  0.931486  0.497904  0.358188  1
  C  C123  1  0.990522  0.833986  0.320887  1
  C  C124  1  0.634772  0.248579  0.327910  1
  C  C125  1  0.702047  0.587643  0.291498  1
  C  C126  1  0.585377  0.911136  0.365504  1
  C  C127  1  0.525997  0.032227  0.299281  1
  C  C128  1  0.407723  0.360114  0.373346  1
  C  C129  1  0.463026  0.697592  0.336867  1
  C  C130  1  0.115639  0.109302  0.343235  1
  C  C131  1  0.166843  0.448077  0.307034  1
  C  C132  1  0.061985  0.772787  0.380579  1
  C  C133  1  0.877678  0.161252  0.394970  1
  C  C134  1  0.773669  0.487689  0.469251  1
  C  C135  1  0.825431  0.824753  0.432229  1
  C  C136  1  0.479710  0.236907  0.439407  1
  C  C137  1  0.531997  0.573860  0.402553  1
  C  C138  1  0.427948  0.900272  0.476485  1
  C  C139  1  0.355932  0.023373  0.410201  1
  C  C140  1  0.252110  0.349667  0.484326  1
  C  C141  1  0.303840  0.686514  0.447366  1
  C  C142  1  0.958134  0.098979  0.454512  1
  C  C143  1  0.009595  0.435817  0.417566  1
  C  C144  1  0.906184  0.762283  0.491633  1
  C  C145  1  0.722079  0.150888  0.506215  1
  C  C146  1  0.618667  0.477354  0.580282  1
  C  C147  1  0.670129  0.814191  0.543336  1
  C  C148  1  0.324422  0.226657  0.550482  1
  C  C149  1  0.376152  0.563504  0.513521  1
  C  C150  1  0.272331  0.889797  0.587647  1
  C  C151  1  0.200314  0.012899  0.521363  1
  C  C152  1  0.096266  0.339311  0.595295  1
  C  C153  1  0.148552  0.676264  0.558441  1
  C  C154  1  0.802831  0.088418  0.565619  1
  C  C155  1  0.854593  0.425482  0.528597  1
  C  C156  1  0.750585  0.751918  0.602878  1
  C  C157  1  0.566277  0.140384  0.617269  1
  C  C158  1  0.461419  0.465093  0.690814  1
  C  C159  1  0.512623  0.803868  0.654613  1
  C  C160  1  0.165236  0.215578  0.660981  1
  C  C161  1  0.220540  0.553057  0.624502  1
  C  C162  1  0.102265  0.880943  0.698567  1
  C  C163  1  0.042886  0.002035  0.632344  1
  C  C164  1  0.926215  0.325528  0.706350  1
  C  C165  1  0.993490  0.664592  0.669937  1
  C  C166  1  0.637740  0.079184  0.676961  1
  C  C167  1  0.696776  0.415267  0.639660  1
  C  C168  1  0.580370  0.737977  0.712908  1
