# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.30925159
_cell_length_b   13.76455098
_cell_length_c   47.43577533
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.24105711
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe240 C96'
_cell_volume   6334.92821518
_cell_formula_units_Z   48
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  0.011244  0.446142  0.324414  1
  Fe  Fe2  1  0.011244  0.946142  0.324414  1
  Fe  Fe3  1  0.355394  0.546152  0.288865  1
  Fe  Fe4  1  0.355394  0.046152  0.288865  1
  Fe  Fe5  1  0.747780  0.277401  0.316713  1
  Fe  Fe6  1  0.747780  0.777401  0.316713  1
  Fe  Fe7  1  0.399017  0.182182  0.352971  1
  Fe  Fe8  1  0.399017  0.682182  0.352971  1
  Fe  Fe9  1  0.525758  0.590387  0.316738  1
  Fe  Fe10  1  0.525758  0.090387  0.316738  1
  Fe  Fe11  1  0.175863  0.493077  0.352277  1
  Fe  Fe12  1  0.175863  0.993077  0.352277  1
  Fe  Fe13  1  0.769878  0.593734  0.313959  1
  Fe  Fe14  1  0.769878  0.093734  0.313959  1
  Fe  Fe15  1  0.419406  0.499094  0.350004  1
  Fe  Fe16  1  0.419406  0.999094  0.350004  1
  Fe  Fe17  1  0.991816  0.132372  0.328348  1
  Fe  Fe18  1  0.991816  0.632372  0.328348  1
  Fe  Fe19  1  0.341703  0.229867  0.291832  1
  Fe  Fe20  1  0.341703  0.729867  0.291832  1
  Fe  Fe21  1  0.791122  0.430551  0.331466  1
  Fe  Fe22  1  0.791122  0.930551  0.331466  1
  Fe  Fe23  1  0.148190  0.501308  0.294844  1
  Fe  Fe24  1  0.148190  0.001308  0.294844  1
  Fe  Fe25  1  0.127986  0.284723  0.350087  1
  Fe  Fe26  1  0.127986  0.784723  0.350087  1
  Fe  Fe27  1  0.474253  0.382535  0.315024  1
  Fe  Fe28  1  0.474253  0.882535  0.315024  1
  Fe  Fe29  1  0.971746  0.293421  0.309603  1
  Fe  Fe30  1  0.971746  0.793421  0.309603  1
  Fe  Fe31  1  0.617762  0.202417  0.346386  1
  Fe  Fe32  1  0.617762  0.702417  0.346386  1
  Fe  Fe33  1  0.230127  0.137534  0.326080  1
  Fe  Fe34  1  0.230127  0.637534  0.326080  1
  Fe  Fe35  1  0.580649  0.233994  0.289809  1
  Fe  Fe36  1  0.580649  0.733994  0.289809  1
  Fe  Fe37  1  0.634518  0.442836  0.292075  1
  Fe  Fe38  1  0.634518  0.942836  0.292075  1
  Fe  Fe39  1  0.283647  0.345878  0.328145  1
  Fe  Fe40  1  0.283647  0.845878  0.328145  1
  Fe  Fe41  1  0.313293  0.252436  0.396582  1
  Fe  Fe42  1  0.313293  0.752436  0.396582  1
  Fe  Fe43  1  0.662522  0.350233  0.360798  1
  Fe  Fe44  1  0.662522  0.850233  0.360798  1
  Fe  Fe45  1  0.048687  0.083469  0.388806  1
  Fe  Fe46  1  0.048687  0.583469  0.388806  1
  Fe  Fe47  1  0.700844  0.984388  0.424233  1
  Fe  Fe48  1  0.700844  0.484388  0.424233  1
  Fe  Fe49  1  0.830801  0.393894  0.387913  1
  Fe  Fe50  1  0.830801  0.893894  0.387913  1
  Fe  Fe51  1  0.481587  0.295483  0.423859  1
  Fe  Fe52  1  0.481587  0.795483  0.423859  1
  Fe  Fe53  1  0.068782  0.400371  0.385529  1
  Fe  Fe54  1  0.068782  0.900371  0.385529  1
  Fe  Fe55  1  0.721854  0.301478  0.421795  1
  Fe  Fe56  1  0.721854  0.801478  0.421795  1
  Fe  Fe57  1  0.292597  0.935894  0.399269  1
  Fe  Fe58  1  0.292597  0.435894  0.399269  1
  Fe  Fe59  1  0.641872  0.033333  0.363376  1
  Fe  Fe60  1  0.641872  0.533333  0.363376  1
  Fe  Fe61  1  0.093628  0.234119  0.403795  1
  Fe  Fe62  1  0.093628  0.734119  0.403795  1
  Fe  Fe63  1  0.442462  0.331613  0.367918  1
  Fe  Fe64  1  0.442462  0.831613  0.367918  1
  Fe  Fe65  1  0.430438  0.087396  0.421563  1
  Fe  Fe66  1  0.430438  0.587396  0.421563  1
  Fe  Fe67  1  0.778376  0.186089  0.385809  1
  Fe  Fe68  1  0.778376  0.686089  0.385809  1
  Fe  Fe69  1  0.270408  0.101745  0.382034  1
  Fe  Fe70  1  0.270408  0.601745  0.382034  1
  Fe  Fe71  1  0.920154  0.004283  0.417385  1
  Fe  Fe72  1  0.920154  0.504283  0.417385  1
  Fe  Fe73  1  0.533003  0.941372  0.397074  1
  Fe  Fe74  1  0.533003  0.441372  0.397074  1
  Fe  Fe75  1  0.883001  0.038998  0.361578  1
  Fe  Fe76  1  0.883001  0.538998  0.361578  1
  Fe  Fe77  1  0.932037  0.248125  0.363675  1
  Fe  Fe78  1  0.932037  0.748125  0.363675  1
  Fe  Fe79  1  0.584572  0.149796  0.399356  1
  Fe  Fe80  1  0.584572  0.649796  0.399356  1
  Fe  Fe81  1  0.616959  0.055400  0.468139  1
  Fe  Fe82  1  0.616959  0.555400  0.468139  1
  Fe  Fe83  1  0.965547  0.153848  0.432383  1
  Fe  Fe84  1  0.965547  0.653848  0.432383  1
  Fe  Fe85  1  0.352268  0.886012  0.459980  1
  Fe  Fe86  1  0.352268  0.386012  0.459980  1
  Fe  Fe87  1  0.003694  0.787464  0.495693  1
  Fe  Fe88  1  0.003694  0.287464  0.495693  1
  Fe  Fe89  1  0.133338  0.196918  0.459559  1
  Fe  Fe90  1  0.133338  0.696918  0.459559  1
  Fe  Fe91  1  0.784775  0.098394  0.495275  1
  Fe  Fe92  1  0.784775  0.598394  0.495275  1
  Fe  Fe93  1  0.373574  0.202836  0.457457  1
  Fe  Fe94  1  0.373574  0.702836  0.457457  1
  Fe  Fe95  1  0.024929  0.104413  0.493122  1
  Fe  Fe96  1  0.024929  0.604413  0.493122  1
  Fe  Fe97  1  0.595704  0.738381  0.470686  1
  Fe  Fe98  1  0.595704  0.238381  0.470686  1
  Fe  Fe99  1  0.944214  0.836878  0.435013  1
  Fe  Fe100  1  0.944214  0.336878  0.435013  1
  Fe  Fe101  1  0.397183  0.035563  0.475006  1
  Fe  Fe102  1  0.397183  0.535563  0.475006  1
  Fe  Fe103  1  0.745657  0.134046  0.439252  1
  Fe  Fe104  1  0.745657  0.634046  0.439252  1
  Fe  Fe105  1  0.733170  0.890353  0.493043  1
  Fe  Fe106  1  0.733170  0.390353  0.493043  1
  Fe  Fe107  1  0.081653  0.988878  0.457286  1
  Fe  Fe108  1  0.081653  0.488878  0.457286  1
  Fe  Fe109  1  0.571991  0.905780  0.453173  1
  Fe  Fe110  1  0.571991  0.405780  0.453173  1
  Fe  Fe111  1  0.223541  0.807186  0.488850  1
  Fe  Fe112  1  0.223541  0.307186  0.488850  1
  Fe  Fe113  1  0.836052  0.744416  0.468555  1
  Fe  Fe114  1  0.836052  0.244416  0.468555  1
  Fe  Fe115  1  0.185147  0.842533  0.432918  1
  Fe  Fe116  1  0.185147  0.342533  0.432918  1
  Fe  Fe117  1  0.236029  0.050793  0.435091  1
  Fe  Fe118  1  0.236029  0.550793  0.435091  1
  Fe  Fe119  1  0.887502  0.952477  0.470808  1
  Fe  Fe120  1  0.887502  0.452477  0.470808  1
  Fe  Fe121  1  0.919913  0.858282  0.539574  1
  Fe  Fe122  1  0.919913  0.358282  0.539574  1
  Fe  Fe123  1  0.268487  0.956830  0.503861  1
  Fe  Fe124  1  0.268487  0.456830  0.503861  1
  Fe  Fe125  1  0.655222  0.688894  0.531415  1
  Fe  Fe126  1  0.655222  0.188894  0.531415  1
  Fe  Fe127  1  0.306634  0.590445  0.567172  1
  Fe  Fe128  1  0.306634  0.090445  0.567172  1
  Fe  Fe129  1  0.436128  0.999878  0.531000  1
  Fe  Fe130  1  0.436128  0.499878  0.531000  1
  Fe  Fe131  1  0.087034  0.901761  0.566637  1
  Fe  Fe132  1  0.087034  0.401761  0.566637  1
  Fe  Fe133  1  0.676477  0.005912  0.528869  1
  Fe  Fe134  1  0.676477  0.505912  0.528869  1
  Fe  Fe135  1  0.327967  0.907416  0.564542  1
  Fe  Fe136  1  0.327967  0.407416  0.564542  1
  Fe  Fe137  1  0.898607  0.541458  0.542097  1
  Fe  Fe138  1  0.898607  0.041458  0.542097  1
  Fe  Fe139  1  0.247252  0.639880  0.506432  1
  Fe  Fe140  1  0.247252  0.139880  0.506432  1
  Fe  Fe141  1  0.700190  0.838514  0.546382  1
  Fe  Fe142  1  0.700190  0.338514  0.546382  1
  Fe  Fe143  1  0.048640  0.937107  0.510705  1
  Fe  Fe144  1  0.048640  0.437107  0.510705  1
  Fe  Fe145  1  0.036152  0.693501  0.564464  1
  Fe  Fe146  1  0.036152  0.193501  0.564464  1
  Fe  Fe147  1  0.384679  0.791816  0.528747  1
  Fe  Fe148  1  0.384679  0.291816  0.528747  1
  Fe  Fe149  1  0.874997  0.708731  0.524548  1
  Fe  Fe150  1  0.874997  0.208731  0.524548  1
  Fe  Fe151  1  0.526524  0.610248  0.560303  1
  Fe  Fe152  1  0.526524  0.110248  0.560303  1
  Fe  Fe153  1  0.138843  0.547376  0.539996  1
  Fe  Fe154  1  0.138843  0.047376  0.539996  1
  Fe  Fe155  1  0.487406  0.645900  0.504279  1
  Fe  Fe156  1  0.487406  0.145900  0.504279  1
  Fe  Fe157  1  0.539011  0.853941  0.506512  1
  Fe  Fe158  1  0.539011  0.353941  0.506512  1
  Fe  Fe159  1  0.190528  0.755416  0.542269  1
  Fe  Fe160  1  0.190528  0.255416  0.542269  1
  Fe  Fe161  1  0.223494  0.660825  0.610749  1
  Fe  Fe162  1  0.223494  0.160825  0.610749  1
  Fe  Fe163  1  0.571337  0.759906  0.575322  1
  Fe  Fe164  1  0.571337  0.259906  0.575322  1
  Fe  Fe165  1  0.958888  0.491857  0.602973  1
  Fe  Fe166  1  0.958888  0.991857  0.602973  1
  Fe  Fe167  1  0.609658  0.394061  0.638756  1
  Fe  Fe168  1  0.609658  0.894061  0.638756  1
  Fe  Fe169  1  0.739177  0.802922  0.602481  1
  Fe  Fe170  1  0.739177  0.302922  0.602481  1
  Fe  Fe171  1  0.389180  0.705296  0.637977  1
  Fe  Fe172  1  0.389180  0.205296  0.637977  1
  Fe  Fe173  1  0.979584  0.808400  0.600286  1
  Fe  Fe174  1  0.979584  0.308400  0.600286  1
  Fe  Fe175  1  0.630308  0.710960  0.636179  1
  Fe  Fe176  1  0.630308  0.210960  0.636179  1
  Fe  Fe177  1  0.203398  0.343923  0.614025  1
  Fe  Fe178  1  0.203398  0.843923  0.614025  1
  Fe  Fe179  1  0.550327  0.442815  0.577760  1
  Fe  Fe180  1  0.550327  0.942815  0.577760  1
  Fe  Fe181  1  0.001773  0.642549  0.617521  1
  Fe  Fe182  1  0.001773  0.142549  0.617521  1
  Fe  Fe183  1  0.352027  0.740011  0.582170  1
  Fe  Fe184  1  0.352027  0.240011  0.582170  1
  Fe  Fe185  1  0.340144  0.496169  0.635879  1
  Fe  Fe186  1  0.340144  0.996169  0.635879  1
  Fe  Fe187  1  0.687609  0.594497  0.600198  1
  Fe  Fe188  1  0.687609  0.094497  0.600198  1
  Fe  Fe189  1  0.178553  0.510175  0.595760  1
  Fe  Fe190  1  0.178553  0.010175  0.595760  1
  Fe  Fe191  1  0.829719  0.412681  0.631637  1
  Fe  Fe192  1  0.829719  0.912681  0.631637  1
  Fe  Fe193  1  0.441380  0.350400  0.611642  1
  Fe  Fe194  1  0.441380  0.850400  0.611642  1
  Fe  Fe195  1  0.790594  0.448810  0.575696  1
  Fe  Fe196  1  0.790594  0.948810  0.575696  1
  Fe  Fe197  1  0.841743  0.656898  0.577991  1
  Fe  Fe198  1  0.841743  0.156898  0.577991  1
  Fe  Fe199  1  0.493805  0.558205  0.613746  1
  Fe  Fe200  1  0.493805  0.058205  0.613746  1
  Fe  Fe201  1  0.524401  0.466893  0.682841  1
  Fe  Fe202  1  0.524401  0.966893  0.682841  1
  Fe  Fe203  1  0.873164  0.562112  0.646584  1
  Fe  Fe204  1  0.873164  0.062112  0.646584  1
  Fe  Fe205  1  0.260937  0.298151  0.675141  1
  Fe  Fe206  1  0.260937  0.798151  0.675141  1
  Fe  Fe207  1  0.916786  0.198142  0.710689  1
  Fe  Fe208  1  0.916786  0.698142  0.710689  1
  Fe  Fe209  1  0.042054  0.606760  0.673475  1
  Fe  Fe210  1  0.042054  0.106760  0.673475  1
  Fe  Fe211  1  0.691532  0.510300  0.709745  1
  Fe  Fe212  1  0.691532  0.010300  0.709745  1
  Fe  Fe213  1  0.280365  0.611921  0.671207  1
  Fe  Fe214  1  0.280365  0.111921  0.671207  1
  Fe  Fe215  1  0.930478  0.514426  0.707723  1
  Fe  Fe216  1  0.930478  0.014426  0.707723  1
  Fe  Fe217  1  0.502302  0.150560  0.685596  1
  Fe  Fe218  1  0.502302  0.650560  0.685596  1
  Fe  Fe219  1  0.852775  0.245200  0.649551  1
  Fe  Fe220  1  0.852775  0.745200  0.649551  1
  Fe  Fe221  1  0.300435  0.450873  0.689952  1
  Fe  Fe222  1  0.300435  0.950873  0.689952  1
  Fe  Fe223  1  0.654419  0.541877  0.653168  1
  Fe  Fe224  1  0.654419  0.041877  0.653168  1
  Fe  Fe225  1  0.637663  0.301458  0.707480  1
  Fe  Fe226  1  0.637663  0.801458  0.707480  1
  Fe  Fe227  1  0.988534  0.398416  0.671410  1
  Fe  Fe228  1  0.988534  0.898416  0.671410  1
  Fe  Fe229  1  0.481059  0.313743  0.668089  1
  Fe  Fe230  1  0.481059  0.813743  0.668089  1
  Fe  Fe231  1  0.123991  0.242986  0.704710  1
  Fe  Fe232  1  0.123991  0.742986  0.704710  1
  Fe  Fe233  1  0.746423  0.153907  0.682817  1
  Fe  Fe234  1  0.746423  0.653907  0.682817  1
  Fe  Fe235  1  0.096318  0.251216  0.647278  1
  Fe  Fe236  1  0.096318  0.751216  0.647278  1
  Fe  Fe237  1  0.144195  0.459571  0.649467  1
  Fe  Fe238  1  0.144195  0.959571  0.649467  1
  Fe  Fe239  1  0.797928  0.361759  0.684530  1
  Fe  Fe240  1  0.797928  0.861759  0.684530  1
  C  C241  1  0.948756  0.386238  0.355975  1
  C  C242  1  0.948756  0.886238  0.355975  1
  C  C243  1  0.296624  0.486090  0.320883  1
  C  C244  1  0.296624  0.986090  0.320883  1
  C  C245  1  0.165260  0.274095  0.310262  1
  C  C246  1  0.165260  0.774095  0.310262  1
  C  C247  1  0.813207  0.175644  0.345889  1
  C  C248  1  0.813207  0.675644  0.345889  1
  C  C249  1  0.596654  0.452934  0.331870  1
  C  C250  1  0.596654  0.952934  0.331870  1
  C  C251  1  0.950610  0.556888  0.297559  1
  C  C252  1  0.950610  0.056888  0.297559  1
  C  C253  1  0.811656  0.339411  0.285800  1
  C  C254  1  0.811656  0.839411  0.285800  1
  C  C255  1  0.461218  0.243139  0.321574  1
  C  C256  1  0.461218  0.743139  0.321574  1
  C  C257  1  0.252645  0.190189  0.427922  1
  C  C258  1  0.252645  0.690189  0.427922  1
  C  C259  1  0.600842  0.289149  0.392240  1
  C  C260  1  0.600842  0.789149  0.392240  1
  C  C261  1  0.465000  0.078450  0.381633  1
  C  C262  1  0.465000  0.578450  0.381633  1
  C  C263  1  0.115229  0.979301  0.417323  1
  C  C264  1  0.115229  0.479301  0.417323  1
  C  C265  1  0.899002  0.257266  0.403656  1
  C  C266  1  0.899002  0.757266  0.403656  1
  C  C267  1  0.247398  0.356524  0.368000  1
  C  C268  1  0.247398  0.856524  0.368000  1
  C  C269  1  0.111386  0.146593  0.357954  1
  C  C270  1  0.111386  0.646593  0.357954  1
  C  C271  1  0.762059  0.046658  0.392985  1
  C  C272  1  0.762059  0.546658  0.392985  1
  C  C273  1  0.555409  0.993228  0.499365  1
  C  C274  1  0.555409  0.493228  0.499365  1
  C  C275  1  0.903889  0.091746  0.463610  1
  C  C276  1  0.903889  0.591746  0.463610  1
  C  C277  1  0.766900  0.881427  0.453085  1
  C  C278  1  0.766900  0.381427  0.453085  1
  C  C279  1  0.418446  0.782887  0.488790  1
  C  C280  1  0.418446  0.282887  0.488790  1
  C  C281  1  0.202258  0.059930  0.475048  1
  C  C282  1  0.202258  0.559930  0.475048  1
  C  C283  1  0.550724  0.158443  0.439311  1
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  C  C285  1  0.413968  0.948134  0.428764  1
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  C  C287  1  0.065330  0.849682  0.464490  1
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  C  C299  1  0.853735  0.961407  0.510765  1
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  C  C301  1  0.716772  0.751066  0.500190  1
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  C  C303  1  0.368291  0.652547  0.535945  1
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  C  C305  1  0.160795  0.597701  0.641601  1
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  C  C307  1  0.510122  0.697636  0.606570  1
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  C  C309  1  0.373179  0.487028  0.595899  1
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  C  C311  1  0.024782  0.387770  0.631555  1
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  C  C313  1  0.807181  0.665844  0.617922  1
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  C  C315  1  0.156952  0.764993  0.582231  1
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  C  C317  1  0.019535  0.554105  0.571633  1
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  C  C319  1  0.671339  0.455145  0.607315  1
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  C  C329  1  0.106920  0.470199  0.689293  1
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  C  C331  1  0.458973  0.568650  0.653665  1
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  C  C333  1  0.323424  0.358056  0.643579  1
  C  C334  1  0.323424  0.858056  0.643579  1
  C  C335  1  0.975556  0.258204  0.678671  1
  C  C336  1  0.975556  0.758204  0.678671  1
