# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78894581
_cell_length_b   12.02964232
_cell_length_c   51.08412434
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe120 C48'
_cell_volume   2942.92090918
_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  0.437673  0.577072  0.272656  1
  Fe  Fe2  1  0.924928  0.433101  0.349123  1
  Fe  Fe3  1  0.608737  0.462115  0.313434  1
  Fe  Fe4  1  0.115574  0.524699  0.309945  1
  Fe  Fe5  1  0.893518  0.622346  0.348183  1
  Fe  Fe6  1  0.398470  0.371622  0.275278  1
  Fe  Fe7  1  0.576253  0.651612  0.312283  1
  Fe  Fe8  1  0.078867  0.337700  0.310083  1
  Fe  Fe9  1  0.973694  0.792099  0.330923  1
  Fe  Fe10  1  0.026389  0.694759  0.292059  1
  Fe  Fe11  1  0.924384  0.151612  0.312283  1
  Fe  Fe12  1  0.421770  0.837700  0.310083  1
  Fe  Fe13  1  0.102167  0.871622  0.275278  1
  Fe  Fe14  1  0.607119  0.122346  0.348183  1
  Fe  Fe15  1  0.385062  0.024699  0.309945  1
  Fe  Fe16  1  0.891899  0.962115  0.313434  1
  Fe  Fe17  1  0.062963  0.077072  0.272656  1
  Fe  Fe18  1  0.575709  0.933101  0.349123  1
  Fe  Fe19  1  0.474248  0.194759  0.292059  1
  Fe  Fe20  1  0.526942  0.292099  0.330923  1
  Fe  Fe21  1  0.426793  0.748775  0.350834  1
  Fe  Fe22  1  0.925162  0.628419  0.425738  1
  Fe  Fe23  1  0.610196  0.656933  0.390187  1
  Fe  Fe24  1  0.111892  0.719647  0.386496  1
  Fe  Fe25  1  0.891962  0.817301  0.424884  1
  Fe  Fe26  1  0.391860  0.559369  0.351674  1
  Fe  Fe27  1  0.576626  0.845643  0.389294  1
  Fe  Fe28  1  0.076086  0.531037  0.387359  1
  Fe  Fe29  1  0.974713  0.986935  0.407481  1
  Fe  Fe30  1  0.025732  0.889727  0.369195  1
  Fe  Fe31  1  0.924010  0.345643  0.389294  1
  Fe  Fe32  1  0.424550  0.031037  0.387359  1
  Fe  Fe33  1  0.108776  0.059369  0.351674  1
  Fe  Fe34  1  0.608675  0.317301  0.424884  1
  Fe  Fe35  1  0.388745  0.219647  0.386496  1
  Fe  Fe36  1  0.890441  0.156933  0.390187  1
  Fe  Fe37  1  0.073843  0.248775  0.350834  1
  Fe  Fe38  1  0.575475  0.128419  0.425738  1
  Fe  Fe39  1  0.474905  0.389727  0.369195  1
  Fe  Fe40  1  0.525923  0.486935  0.407481  1
  Fe  Fe41  1  0.424960  0.943248  0.427633  1
  Fe  Fe42  1  0.925019  0.823453  0.502430  1
  Fe  Fe43  1  0.610028  0.851858  0.466847  1
  Fe  Fe44  1  0.110083  0.914832  0.463190  1
  Fe  Fe45  1  0.891171  0.012322  0.501543  1
  Fe  Fe46  1  0.391417  0.754301  0.428484  1
  Fe  Fe47  1  0.576164  0.040644  0.465987  1
  Fe  Fe48  1  0.076361  0.726014  0.464051  1
  Fe  Fe49  1  0.974870  0.182078  0.484188  1
  Fe  Fe50  1  0.025710  0.084646  0.445859  1
  Fe  Fe51  1  0.924472  0.540644  0.465987  1
  Fe  Fe52  1  0.424275  0.226014  0.464051  1
  Fe  Fe53  1  0.109220  0.254301  0.428484  1
  Fe  Fe54  1  0.609466  0.512322  0.501543  1
  Fe  Fe55  1  0.390554  0.414832  0.463190  1
  Fe  Fe56  1  0.890609  0.351858  0.466847  1
  Fe  Fe57  1  0.075677  0.443248  0.427633  1
  Fe  Fe58  1  0.575618  0.323453  0.502430  1
  Fe  Fe59  1  0.474927  0.584646  0.445859  1
  Fe  Fe60  1  0.525767  0.682078  0.484188  1
  Fe  Fe61  1  0.425019  0.138303  0.504299  1
  Fe  Fe62  1  0.924960  0.018508  0.579096  1
  Fe  Fe63  1  0.610083  0.046923  0.543540  1
  Fe  Fe64  1  0.110028  0.109897  0.539883  1
  Fe  Fe65  1  0.891417  0.207455  0.578246  1
  Fe  Fe66  1  0.391171  0.949433  0.505187  1
  Fe  Fe67  1  0.576361  0.235741  0.542679  1
  Fe  Fe68  1  0.076164  0.921111  0.540742  1
  Fe  Fe69  1  0.974927  0.377109  0.560870  1
  Fe  Fe70  1  0.025767  0.279677  0.522542  1
  Fe  Fe71  1  0.924275  0.735741  0.542679  1
  Fe  Fe72  1  0.424472  0.421111  0.540742  1
  Fe  Fe73  1  0.109466  0.449433  0.505187  1
  Fe  Fe74  1  0.609220  0.707455  0.578246  1
  Fe  Fe75  1  0.390609  0.609897  0.539883  1
  Fe  Fe76  1  0.890554  0.546923  0.543540  1
  Fe  Fe77  1  0.075618  0.638303  0.504299  1
  Fe  Fe78  1  0.575677  0.518508  0.579096  1
  Fe  Fe79  1  0.474870  0.779677  0.522542  1
  Fe  Fe80  1  0.525710  0.877109  0.560870  1
  Fe  Fe81  1  0.425162  0.333336  0.580992  1
  Fe  Fe82  1  0.926793  0.212981  0.655896  1
  Fe  Fe83  1  0.611892  0.242108  0.620233  1
  Fe  Fe84  1  0.110196  0.304822  0.616543  1
  Fe  Fe85  1  0.891860  0.402387  0.655055  1
  Fe  Fe86  1  0.391962  0.144454  0.581846  1
  Fe  Fe87  1  0.576086  0.430718  0.619370  1
  Fe  Fe88  1  0.076626  0.116112  0.617435  1
  Fe  Fe89  1  0.974905  0.572028  0.637534  1
  Fe  Fe90  1  0.025923  0.474820  0.599248  1
  Fe  Fe91  1  0.924550  0.930718  0.619370  1
  Fe  Fe92  1  0.424010  0.616112  0.617435  1
  Fe  Fe93  1  0.108675  0.644454  0.581846  1
  Fe  Fe94  1  0.608776  0.902387  0.655055  1
  Fe  Fe95  1  0.390441  0.804822  0.616543  1
  Fe  Fe96  1  0.888745  0.742108  0.620233  1
  Fe  Fe97  1  0.075475  0.833336  0.580992  1
  Fe  Fe98  1  0.573843  0.712981  0.655896  1
  Fe  Fe99  1  0.474713  0.974820  0.599248  1
  Fe  Fe100  1  0.525732  0.072028  0.637534  1
  Fe  Fe101  1  0.424928  0.528655  0.657607  1
  Fe  Fe102  1  0.937673  0.384683  0.734074  1
  Fe  Fe103  1  0.615574  0.437056  0.696784  1
  Fe  Fe104  1  0.108737  0.499640  0.693295  1
  Fe  Fe105  1  0.898470  0.590134  0.731451  1
  Fe  Fe106  1  0.393518  0.339409  0.658547  1
  Fe  Fe107  1  0.578867  0.624055  0.696647  1
  Fe  Fe108  1  0.076253  0.310144  0.694446  1
  Fe  Fe109  1  0.974248  0.766996  0.714670  1
  Fe  Fe110  1  0.026942  0.669656  0.675806  1
  Fe  Fe111  1  0.921770  0.124055  0.696647  1
  Fe  Fe112  1  0.424384  0.810144  0.694446  1
  Fe  Fe113  1  0.107119  0.839409  0.658547  1
  Fe  Fe114  1  0.602167  0.090134  0.731451  1
  Fe  Fe115  1  0.391899  -0.000360  0.693295  1
  Fe  Fe116  1  0.885062  0.937056  0.696784  1
  Fe  Fe117  1  0.075709  0.028655  0.657607  1
  Fe  Fe118  1  0.562963  0.884683  0.734074  1
  Fe  Fe119  1  0.473694  0.169656  0.675806  1
  Fe  Fe120  1  0.526389  0.266996  0.714670  1
  C  C121  1  0.705122  0.323961  0.296811  1
  C  C122  1  0.206650  0.663128  0.326690  1
  C  C123  1  0.798985  0.563865  0.288756  1
  C  C124  1  0.295188  0.421565  0.334896  1
  C  C125  1  0.205448  0.921565  0.334896  1
  C  C126  1  0.701652  0.063865  0.288756  1
  C  C127  1  0.293987  0.163128  0.326690  1
  C  C128  1  0.795514  0.823961  0.296811  1
  C  C129  1  0.705583  0.519524  0.373182  1
  C  C130  1  0.206006  0.857345  0.403437  1
  C  C131  1  0.796517  0.759525  0.365213  1
  C  C132  1  0.295586  0.616774  0.411546  1
  C  C133  1  0.205050  0.116774  0.411546  1
  C  C134  1  0.704120  0.259525  0.365213  1
  C  C135  1  0.294631  0.357345  0.403437  1
  C  C136  1  0.795053  0.019524  0.373182  1
  C  C137  1  0.705794  0.714356  0.449896  1
  C  C138  1  0.205631  0.052338  0.480149  1
  C  C139  1  0.795454  0.954774  0.441810  1
  C  C140  1  0.295441  0.811935  0.488233  1
  C  C141  1  0.205195  0.311935  0.488233  1
  C  C142  1  0.705182  0.454774  0.441810  1
  C  C143  1  0.295006  0.552338  0.480149  1
  C  C144  1  0.794842  0.214356  0.449896  1
  C  C145  1  0.705631  0.909417  0.526581  1
  C  C146  1  0.205794  0.247399  0.556833  1
  C  C147  1  0.795441  0.149821  0.518496  1
  C  C148  1  0.295454  0.006981  0.564919  1
  C  C149  1  0.205182  0.506981  0.564919  1
  C  C150  1  0.705195  0.649821  0.518496  1
  C  C151  1  0.294842  0.747399  0.556833  1
  C  C152  1  0.795006  0.409417  0.526581  1
  C  C153  1  0.706006  0.104410  0.603292  1
  C  C154  1  0.205583  0.442232  0.633548  1
  C  C155  1  0.795586  0.344982  0.595184  1
  C  C156  1  0.296517  0.202230  0.641516  1
  C  C157  1  0.204120  0.702230  0.641516  1
  C  C158  1  0.705050  0.844982  0.595184  1
  C  C159  1  0.295053  0.942232  0.633548  1
  C  C160  1  0.794631  0.604410  0.603292  1
  C  C161  1  0.706650  0.298627  0.680040  1
  C  C162  1  0.205122  0.637794  0.709918  1
  C  C163  1  0.795188  0.540190  0.671834  1
  C  C164  1  0.298985  0.397891  0.717973  1
  C  C165  1  0.201652  0.897891  0.717973  1
  C  C166  1  0.705448  0.040190  0.671834  1
  C  C167  1  0.295514  0.137794  0.709918  1
  C  C168  1  0.793987  0.798627  0.680040  1
