# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.60028248
_cell_length_b   11.49388939
_cell_length_c   49.35149829
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   115.51822899
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe200 C80'
_cell_volume   5426.34135747
_cell_formula_units_Z   40
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  0.492338  0.468978  0.303816  1
  Fe  Fe2  1  0.092555  0.483068  0.346200  1
  Fe  Fe3  1  0.492338  0.968978  0.303816  1
  Fe  Fe4  1  0.092555  0.983068  0.346200  1
  Fe  Fe5  1  0.107966  0.297514  0.360904  1
  Fe  Fe6  1  0.508873  0.279577  0.318081  1
  Fe  Fe7  1  0.107966  0.797514  0.360904  1
  Fe  Fe8  1  0.508873  0.779577  0.318081  1
  Fe  Fe9  1  0.482510  0.601303  0.341667  1
  Fe  Fe10  1  0.882649  0.588446  0.299982  1
  Fe  Fe11  1  0.482510  0.101303  0.341667  1
  Fe  Fe12  1  0.882649  0.088446  0.299982  1
  Fe  Fe13  1  0.301326  0.593864  0.308914  1
  Fe  Fe14  1  0.894899  0.603484  0.350310  1
  Fe  Fe15  1  0.301326  0.093864  0.308914  1
  Fe  Fe16  1  0.894899  0.103484  0.350310  1
  Fe  Fe17  1  0.306068  0.177846  0.356888  1
  Fe  Fe18  1  0.704705  0.162016  0.315362  1
  Fe  Fe19  1  0.306068  0.677846  0.356888  1
  Fe  Fe20  1  0.704705  0.662016  0.315362  1
  Fe  Fe21  1  0.651706  0.479643  0.340089  1
  Fe  Fe22  1  0.051819  0.468092  0.297559  1
  Fe  Fe23  1  0.651706  0.979643  0.340089  1
  Fe  Fe24  1  0.051819  0.968092  0.297559  1
  Fe  Fe25  1  0.238185  0.376408  0.313274  1
  Fe  Fe26  1  0.838464  0.391388  0.354706  1
  Fe  Fe27  1  0.238185  0.876408  0.313274  1
  Fe  Fe28  1  0.838464  0.891388  0.354706  1
  Fe  Fe29  1  0.948523  0.286490  0.325455  1
  Fe  Fe30  1  0.547722  0.300160  0.367322  1
  Fe  Fe31  1  0.948523  0.786490  0.325455  1
  Fe  Fe32  1  0.547722  0.800160  0.367322  1
  Fe  Fe33  1  0.121801  0.166672  0.324309  1
  Fe  Fe34  1  0.717891  0.180765  0.365805  1
  Fe  Fe35  1  0.121801  0.666672  0.324309  1
  Fe  Fe36  1  0.717891  0.680765  0.365805  1
  Fe  Fe37  1  0.363288  0.390590  0.352363  1
  Fe  Fe38  1  0.764475  0.377012  0.310829  1
  Fe  Fe39  1  0.363288  0.890590  0.352363  1
  Fe  Fe40  1  0.764475  0.877012  0.310829  1
  Fe  Fe41  1  0.692072  0.498061  0.388118  1
  Fe  Fe42  1  0.291224  0.512810  0.429660  1
  Fe  Fe43  1  0.692072  0.998061  0.388118  1
  Fe  Fe44  1  0.291224  0.012810  0.429660  1
  Fe  Fe45  1  0.306695  0.327136  0.444161  1
  Fe  Fe46  1  0.707082  0.311942  0.402437  1
  Fe  Fe47  1  0.306695  0.827136  0.444161  1
  Fe  Fe48  1  0.707082  0.811942  0.402437  1
  Fe  Fe49  1  0.681227  0.629911  0.424511  1
  Fe  Fe50  1  0.081868  0.614882  0.382767  1
  Fe  Fe51  1  0.681227  0.129911  0.424511  1
  Fe  Fe52  1  0.081868  0.114882  0.382767  1
  Fe  Fe53  1  0.493729  0.617911  0.391972  1
  Fe  Fe54  1  0.093841  0.632547  0.433521  1
  Fe  Fe55  1  0.493729  0.117911  0.391972  1
  Fe  Fe56  1  0.093841  0.132547  0.433521  1
  Fe  Fe57  1  0.504594  0.207297  0.440323  1
  Fe  Fe58  1  0.904775  0.192375  0.398466  1
  Fe  Fe59  1  0.504594  0.707297  0.440323  1
  Fe  Fe60  1  0.904775  0.692375  0.398466  1
  Fe  Fe61  1  0.851927  0.510685  0.423275  1
  Fe  Fe62  1  0.252163  0.495711  0.381428  1
  Fe  Fe63  1  0.851927  0.010685  0.423275  1
  Fe  Fe64  1  0.252163  0.995711  0.381428  1
  Fe  Fe65  1  0.436527  0.405383  0.396789  1
  Fe  Fe66  1  0.036554  0.420560  0.438226  1
  Fe  Fe67  1  0.436527  0.905383  0.396789  1
  Fe  Fe68  1  0.036554  0.920560  0.438226  1
  Fe  Fe69  1  0.146504  0.314331  0.408817  1
  Fe  Fe70  1  0.746554  0.329730  0.450502  1
  Fe  Fe71  1  0.146504  0.814331  0.408817  1
  Fe  Fe72  1  0.746554  0.829730  0.450502  1
  Fe  Fe73  1  0.317313  0.195188  0.407703  1
  Fe  Fe74  1  0.916713  0.210388  0.449341  1
  Fe  Fe75  1  0.317313  0.695188  0.407703  1
  Fe  Fe76  1  0.916713  0.710388  0.449341  1
  Fe  Fe77  1  0.561901  0.419824  0.435554  1
  Fe  Fe78  1  0.962213  0.404483  0.393819  1
  Fe  Fe79  1  0.561901  0.919824  0.435554  1
  Fe  Fe80  1  0.962213  0.904483  0.393819  1
  Fe  Fe81  1  0.891134  0.528350  0.471362  1
  Fe  Fe82  1  0.490719  0.543759  0.513038  1
  Fe  Fe83  1  0.891134  0.028350  0.471362  1
  Fe  Fe84  1  0.490719  0.043759  0.513038  1
  Fe  Fe85  1  0.506016  0.357846  0.527446  1
  Fe  Fe86  1  0.906430  0.342437  0.485770  1
  Fe  Fe87  1  0.506016  0.857846  0.527446  1
  Fe  Fe88  1  0.906430  0.842437  0.485770  1
  Fe  Fe89  1  0.880572  0.660424  0.507758  1
  Fe  Fe90  1  0.280992  0.644911  0.466073  1
  Fe  Fe91  1  0.880572  0.160424  0.507758  1
  Fe  Fe92  1  0.280992  0.144911  0.466073  1
  Fe  Fe93  1  0.693381  0.648050  0.475219  1
  Fe  Fe94  1  0.292907  0.663456  0.516892  1
  Fe  Fe95  1  0.693381  0.148050  0.475219  1
  Fe  Fe96  1  0.292907  0.163456  0.516892  1
  Fe  Fe97  1  0.703769  0.238146  0.523589  1
  Fe  Fe98  1  0.104242  0.222740  0.481916  1
  Fe  Fe99  1  0.703769  0.738146  0.523589  1
  Fe  Fe100  1  0.104242  0.722740  0.481916  1
  Fe  Fe101  1  0.051221  0.541234  0.506630  1
  Fe  Fe102  1  0.451434  0.525776  0.465003  1
  Fe  Fe103  1  0.051221  0.041234  0.506630  1
  Fe  Fe104  1  0.451434  0.025776  0.465003  1
  Fe  Fe105  1  0.636010  0.435896  0.479973  1
  Fe  Fe106  1  0.235586  0.451300  0.521673  1
  Fe  Fe107  1  0.636010  0.935896  0.479973  1
  Fe  Fe108  1  0.235586  0.951300  0.521673  1
  Fe  Fe109  1  0.345928  0.344962  0.492178  1
  Fe  Fe110  1  0.945716  0.360420  0.533805  1
  Fe  Fe111  1  0.345928  0.844962  0.492178  1
  Fe  Fe112  1  0.945716  0.860420  0.533805  1
  Fe  Fe113  1  0.516578  0.225773  0.491050  1
  Fe  Fe114  1  0.116158  0.241285  0.532735  1
  Fe  Fe115  1  0.516578  0.725773  0.491050  1
  Fe  Fe116  1  0.116158  0.741285  0.532735  1
  Fe  Fe117  1  0.761139  0.450300  0.518835  1
  Fe  Fe118  1  0.161564  0.434897  0.477135  1
  Fe  Fe119  1  0.761139  0.950300  0.518835  1
  Fe  Fe120  1  0.161564  0.934897  0.477135  1
  Fe  Fe121  1  0.090455  0.559060  0.554647  1
  Fe  Fe122  1  0.690067  0.574254  0.596371  1
  Fe  Fe123  1  0.090455  0.059060  0.554647  1
  Fe  Fe124  1  0.690067  0.074254  0.596371  1
  Fe  Fe125  1  0.705077  0.388135  0.610690  1
  Fe  Fe126  1  0.105926  0.373386  0.569148  1
  Fe  Fe127  1  0.705077  0.888135  0.610690  1
  Fe  Fe128  1  0.105926  0.873386  0.569148  1
  Fe  Fe129  1  0.079836  0.691008  0.591105  1
  Fe  Fe130  1  0.480437  0.675808  0.549467  1
  Fe  Fe131  1  0.079836  0.191008  0.591105  1
  Fe  Fe132  1  0.480437  0.175808  0.549467  1
  Fe  Fe133  1  0.892555  0.678899  0.558484  1
  Fe  Fe134  1  0.492375  0.693822  0.600342  1
  Fe  Fe135  1  0.892555  0.178899  0.558484  1
  Fe  Fe136  1  0.492375  0.193822  0.600342  1
  Fe  Fe137  1  0.903421  0.268285  0.606836  1
  Fe  Fe138  1  0.303309  0.253650  0.565287  1
  Fe  Fe139  1  0.903421  0.768285  0.606836  1
  Fe  Fe140  1  0.303309  0.753650  0.565287  1
  Fe  Fe141  1  0.250646  0.571865  0.589991  1
  Fe  Fe142  1  0.650596  0.556466  0.548305  1
  Fe  Fe143  1  0.250646  0.071865  0.589991  1
  Fe  Fe144  1  0.650596  0.056466  0.548305  1
  Fe  Fe145  1  0.835249  0.466372  0.563254  1
  Fe  Fe146  1  0.434936  0.481713  0.604989  1
  Fe  Fe147  1  0.835249  0.966372  0.563254  1
  Fe  Fe148  1  0.434936  0.981713  0.604989  1
  Fe  Fe149  1  0.545223  0.375512  0.575533  1
  Fe  Fe150  1  0.144987  0.390486  0.617380  1
  Fe  Fe151  1  0.545223  0.875512  0.575533  1
  Fe  Fe152  1  0.144987  0.890486  0.617380  1
  Fe  Fe153  1  0.715922  0.256285  0.574297  1
  Fe  Fe154  1  0.315282  0.271314  0.616040  1
  Fe  Fe155  1  0.715922  0.756285  0.574297  1
  Fe  Fe156  1  0.315282  0.771314  0.616040  1
  Fe  Fe157  1  0.960623  0.480813  0.602019  1
  Fe  Fe158  1  0.360596  0.465637  0.560582  1
  Fe  Fe159  1  0.960623  0.980813  0.602019  1
  Fe  Fe160  1  0.360596  0.965637  0.560582  1
  Fe  Fe161  1  0.289183  0.588683  0.637904  1
  Fe  Fe162  1  0.888277  0.606619  0.680727  1
  Fe  Fe163  1  0.289183  0.088683  0.637904  1
  Fe  Fe164  1  0.888277  0.106619  0.680727  1
  Fe  Fe165  1  0.904811  0.417218  0.694992  1
  Fe  Fe166  1  0.304595  0.403128  0.652608  1
  Fe  Fe167  1  0.904811  0.917218  0.694992  1
  Fe  Fe168  1  0.304595  0.903128  0.652608  1
  Fe  Fe169  1  0.275348  0.719525  0.674499  1
  Fe  Fe170  1  0.679259  0.705431  0.633003  1
  Fe  Fe171  1  0.275348  0.219525  0.674499  1
  Fe  Fe172  1  0.679259  0.205431  0.633003  1
  Fe  Fe173  1  0.091081  0.708350  0.641920  1
  Fe  Fe174  1  0.692445  0.724180  0.683446  1
  Fe  Fe175  1  0.091081  0.208350  0.641920  1
  Fe  Fe176  1  0.692445  0.224180  0.683446  1
  Fe  Fe177  1  0.095824  0.292332  0.689894  1
  Fe  Fe178  1  0.502251  0.282712  0.648498  1
  Fe  Fe179  1  0.095824  0.792332  0.689894  1
  Fe  Fe180  1  0.502251  0.782712  0.648498  1
  Fe  Fe181  1  0.448627  0.599706  0.673353  1
  Fe  Fe182  1  0.849428  0.586037  0.631486  1
  Fe  Fe183  1  0.448627  0.099706  0.673353  1
  Fe  Fe184  1  0.849428  0.086037  0.631486  1
  Fe  Fe185  1  0.033862  0.495606  0.646445  1
  Fe  Fe186  1  0.632675  0.509185  0.687979  1
  Fe  Fe187  1  0.033862  0.995606  0.646445  1
  Fe  Fe188  1  0.632675  0.009185  0.687979  1
  Fe  Fe189  1  0.745443  0.406553  0.658718  1
  Fe  Fe190  1  0.345330  0.418104  0.701249  1
  Fe  Fe191  1  0.745443  0.906553  0.658718  1
  Fe  Fe192  1  0.345330  0.918104  0.701249  1
  Fe  Fe193  1  0.914640  0.284893  0.657141  1
  Fe  Fe194  1  0.514501  0.297751  0.698826  1
  Fe  Fe195  1  0.914640  0.784893  0.657141  1
  Fe  Fe196  1  0.514501  0.797751  0.698826  1
  Fe  Fe197  1  0.158965  0.509788  0.685533  1
  Fe  Fe198  1  0.558686  0.494809  0.644102  1
  Fe  Fe199  1  0.158965  0.009788  0.685533  1
  Fe  Fe200  1  0.558686  0.994809  0.644102  1
  C  C201  1  0.545703  0.514535  0.367874  1
  C  C202  1  0.947525  0.501665  0.325906  1
  C  C203  1  0.545703  0.014535  0.367874  1
  C  C204  1  0.947525  0.001665  0.325906  1
  C  C205  1  0.321627  0.262727  0.322647  1
  C  C206  1  0.917856  0.274402  0.363954  1
  C  C207  1  0.321627  0.762727  0.322647  1
  C  C208  1  0.917856  0.774402  0.363954  1
  C  C209  1  0.282561  0.506310  0.342917  1
  C  C210  1  0.682813  0.492191  0.301621  1
  C  C211  1  0.282561  0.006310  0.342917  1
  C  C212  1  0.682813  0.992191  0.301621  1
  C  C213  1  0.056705  0.251899  0.298071  1
  C  C214  1  0.653939  0.266321  0.339417  1
  C  C215  1  0.056705  0.751899  0.298071  1
  C  C216  1  0.653939  0.766321  0.339417  1
  C  C217  1  0.745042  0.544817  0.451014  1
  C  C218  1  0.145423  0.529490  0.409250  1
  C  C219  1  0.745042  0.044817  0.451014  1
  C  C220  1  0.145423  0.029490  0.409250  1
  C  C221  1  0.517234  0.289170  0.405814  1
  C  C222  1  0.116633  0.303943  0.447334  1
  C  C223  1  0.517234  0.789170  0.405814  1
  C  C224  1  0.116633  0.803943  0.447334  1
  C  C225  1  0.481309  0.536090  0.426484  1
  C  C226  1  0.881953  0.521009  0.384759  1
  C  C227  1  0.481309  0.036090  0.426484  1
  C  C228  1  0.881953  0.021009  0.384759  1
  C  C229  1  0.254035  0.280565  0.381164  1
  C  C230  1  0.853199  0.295360  0.422754  1
  C  C231  1  0.254035  0.780565  0.381164  1
  C  C232  1  0.853199  0.795360  0.422754  1
  C  C233  1  0.944285  0.575546  0.534329  1
  C  C234  1  0.344550  0.560158  0.492701  1
  C  C235  1  0.944285  0.075546  0.534329  1
  C  C236  1  0.344550  0.060158  0.492701  1
  C  C237  1  0.716481  0.319512  0.489014  1
  C  C238  1  0.316074  0.334906  0.530696  1
  C  C239  1  0.716481  0.819512  0.489014  1
  C  C240  1  0.316074  0.834906  0.530696  1
  C  C241  1  0.680668  0.566685  0.509794  1
  C  C242  1  0.081076  0.551290  0.468112  1
  C  C243  1  0.680668  0.066685  0.509794  1
  C  C244  1  0.081076  0.051290  0.468112  1
  C  C245  1  0.452865  0.310651  0.464479  1
  C  C246  1  0.052599  0.326038  0.506107  1
  C  C247  1  0.452865  0.810651  0.464479  1
  C  C248  1  0.052599  0.826038  0.506107  1
  C  C249  1  0.143115  0.605632  0.617644  1
  C  C250  1  0.543951  0.590837  0.576054  1
  C  C251  1  0.143115  0.105632  0.617644  1
  C  C252  1  0.543951  0.090837  0.576054  1
  C  C253  1  0.915840  0.350106  0.572324  1
  C  C254  1  0.515196  0.365187  0.614049  1
  C  C255  1  0.915840  0.850106  0.572324  1
  C  C256  1  0.515196  0.865187  0.614049  1
  C  C257  1  0.879916  0.597026  0.592994  1
  C  C258  1  0.280517  0.582253  0.551474  1
  C  C259  1  0.879916  0.097026  0.592994  1
  C  C260  1  0.280517  0.082253  0.551474  1
  C  C261  1  0.652108  0.341379  0.547794  1
  C  C262  1  0.251727  0.356706  0.589558  1
  C  C263  1  0.652108  0.841379  0.547794  1
  C  C264  1  0.251727  0.856706  0.589558  1
  C  C265  1  0.340444  0.634297  0.700736  1
  C  C266  1  0.743211  0.619875  0.659391  1
  C  C267  1  0.340444  0.134297  0.700736  1
  C  C268  1  0.743211  0.119875  0.659391  1
  C  C269  1  0.114589  0.379886  0.655891  1
  C  C270  1  0.714337  0.394005  0.697187  1
  C  C271  1  0.114589  0.879886  0.655891  1
  C  C272  1  0.714337  0.894005  0.697187  1
  C  C273  1  0.075522  0.623469  0.676161  1
  C  C274  1  0.479293  0.611794  0.634854  1
  C  C275  1  0.075522  0.123469  0.676161  1
  C  C276  1  0.479293  0.111794  0.634854  1
  C  C277  1  0.851447  0.371661  0.630934  1
  C  C278  1  0.449625  0.384532  0.672902  1
  C  C279  1  0.851447  0.871661  0.630934  1
  C  C280  1  0.449625  0.884532  0.672902  1
