# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.49126503
_cell_length_b   6.61357022
_cell_length_c   48.37355775
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.61862035
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe140 C56'
_cell_volume   3393.54540507
_cell_formula_units_Z   28
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  0.396586  0.806634  0.293621  1
  Fe  Fe2  1  0.698595  0.541794  0.282514  1
  Fe  Fe3  1  0.585822  0.155244  0.289227  1
  Fe  Fe4  1  0.552800  0.893949  0.329002  1
  Fe  Fe5  1  0.533774  0.525239  0.310472  1
  Fe  Fe6  1  0.570801  0.788825  0.271010  1
  Fe  Fe7  1  0.421805  0.143077  0.316565  1
  Fe  Fe8  1  0.721345  0.874433  0.306323  1
  Fe  Fe9  1  0.328614  0.458514  0.318362  1
  Fe  Fe10  1  0.295071  0.227200  0.281265  1
  Fe  Fe11  1  0.896586  0.806634  0.293621  1
  Fe  Fe12  1  0.198595  0.541794  0.282514  1
  Fe  Fe13  1  0.085822  0.155244  0.289227  1
  Fe  Fe14  1  0.052800  0.893949  0.329002  1
  Fe  Fe15  1  0.033774  0.525239  0.310472  1
  Fe  Fe16  1  0.070801  0.788825  0.271010  1
  Fe  Fe17  1  0.921805  0.143077  0.316565  1
  Fe  Fe18  1  0.221345  0.874433  0.306323  1
  Fe  Fe19  1  0.828614  0.458514  0.318362  1
  Fe  Fe20  1  0.795071  0.227200  0.281265  1
  Fe  Fe21  1  0.464441  0.331539  0.359857  1
  Fe  Fe22  1  0.763822  0.059893  0.349682  1
  Fe  Fe23  1  0.651568  0.674558  0.355746  1
  Fe  Fe24  1  0.619035  0.414395  0.395799  1
  Fe  Fe25  1  0.601042  0.049716  0.377052  1
  Fe  Fe26  1  0.632931  0.311168  0.337154  1
  Fe  Fe27  1  0.487989  0.665085  0.383201  1
  Fe  Fe28  1  0.787303  0.393601  0.372941  1
  Fe  Fe29  1  0.394628  0.976965  0.385248  1
  Fe  Fe30  1  0.356723  0.747220  0.347645  1
  Fe  Fe31  1  0.964441  0.331539  0.359857  1
  Fe  Fe32  1  0.263822  0.059893  0.349682  1
  Fe  Fe33  1  0.151568  0.674558  0.355746  1
  Fe  Fe34  1  0.119035  0.414395  0.395799  1
  Fe  Fe35  1  0.101042  0.049716  0.377052  1
  Fe  Fe36  1  0.132931  0.311168  0.337154  1
  Fe  Fe37  1  0.987989  0.665085  0.383201  1
  Fe  Fe38  1  0.287303  0.393601  0.372941  1
  Fe  Fe39  1  0.894628  0.976965  0.385248  1
  Fe  Fe40  1  0.856723  0.747220  0.347645  1
  Fe  Fe41  1  0.530397  0.852059  0.426643  1
  Fe  Fe42  1  0.829720  0.580746  0.416436  1
  Fe  Fe43  1  0.717264  0.195441  0.422602  1
  Fe  Fe44  1  0.684723  0.934559  0.462546  1
  Fe  Fe45  1  0.666525  0.570299  0.443737  1
  Fe  Fe46  1  0.698885  0.831459  0.403797  1
  Fe  Fe47  1  0.553867  0.185285  0.449899  1
  Fe  Fe48  1  0.853266  0.913867  0.439702  1
  Fe  Fe49  1  0.460499  0.497617  0.451870  1
  Fe  Fe50  1  0.423162  0.268282  0.414488  1
  Fe  Fe51  1  0.030397  0.852059  0.426643  1
  Fe  Fe52  1  0.329720  0.580746  0.416436  1
  Fe  Fe53  1  0.217264  0.195441  0.422602  1
  Fe  Fe54  1  0.184723  0.934559  0.462546  1
  Fe  Fe55  1  0.166525  0.570299  0.443737  1
  Fe  Fe56  1  0.198885  0.831459  0.403797  1
  Fe  Fe57  1  0.053867  0.185285  0.449899  1
  Fe  Fe58  1  0.353266  0.913867  0.439702  1
  Fe  Fe59  1  0.960499  0.497617  0.451870  1
  Fe  Fe60  1  0.923162  0.268282  0.414488  1
  Fe  Fe61  1  0.596011  0.372172  0.493387  1
  Fe  Fe62  1  0.895448  0.100778  0.483205  1
  Fe  Fe63  1  0.782887  0.715646  0.489360  1
  Fe  Fe64  1  0.750355  0.454647  0.529294  1
  Fe  Fe65  1  0.732111  0.090551  0.510486  1
  Fe  Fe66  1  0.764643  0.351551  0.470552  1
  Fe  Fe67  1  0.619550  0.705420  0.516641  1
  Fe  Fe68  1  0.918987  0.434026  0.506459  1
  Fe  Fe69  1  0.526159  0.017807  0.518608  1
  Fe  Fe70  1  0.488839  0.788391  0.481238  1
  Fe  Fe71  1  0.096011  0.372172  0.493387  1
  Fe  Fe72  1  0.395448  0.100778  0.483205  1
  Fe  Fe73  1  0.282887  0.715646  0.489360  1
  Fe  Fe74  1  0.250355  0.454647  0.529294  1
  Fe  Fe75  1  0.232111  0.090551  0.510486  1
  Fe  Fe76  1  0.264643  0.351551  0.470552  1
  Fe  Fe77  1  0.119550  0.705420  0.516641  1
  Fe  Fe78  1  0.418987  0.434026  0.506459  1
  Fe  Fe79  1  0.026159  0.017807  0.518608  1
  Fe  Fe80  1  0.988839  0.788391  0.481238  1
  Fe  Fe81  1  0.661732  0.892331  0.560144  1
  Fe  Fe82  1  0.961131  0.620913  0.549947  1
  Fe  Fe83  1  0.848473  0.235899  0.556109  1
  Fe  Fe84  1  0.816113  0.974739  0.596049  1
  Fe  Fe85  1  0.797734  0.610757  0.577244  1
  Fe  Fe86  1  0.830275  0.871639  0.537300  1
  Fe  Fe87  1  0.685278  0.225452  0.583410  1
  Fe  Fe88  1  0.984601  0.954139  0.573203  1
  Fe  Fe89  1  0.591836  0.537916  0.585358  1
  Fe  Fe90  1  0.554499  0.308581  0.547976  1
  Fe  Fe91  1  0.161732  0.892331  0.560144  1
  Fe  Fe92  1  0.461131  0.620913  0.549947  1
  Fe  Fe93  1  0.348473  0.235899  0.556109  1
  Fe  Fe94  1  0.316113  0.974739  0.596049  1
  Fe  Fe95  1  0.297734  0.610757  0.577244  1
  Fe  Fe96  1  0.330275  0.871639  0.537300  1
  Fe  Fe97  1  0.185278  0.225452  0.583410  1
  Fe  Fe98  1  0.484601  0.954139  0.573203  1
  Fe  Fe99  1  0.091836  0.537916  0.585358  1
  Fe  Fe100  1  0.054499  0.308581  0.547976  1
  Fe  Fe101  1  0.727695  0.412597  0.626905  1
  Fe  Fe102  1  0.027009  0.141113  0.616645  1
  Fe  Fe103  1  0.913956  0.756481  0.622794  1
  Fe  Fe104  1  0.882067  0.495030  0.662692  1
  Fe  Fe105  1  0.863430  0.131640  0.644100  1
  Fe  Fe106  1  0.895963  0.391803  0.604047  1
  Fe  Fe107  1  0.751176  0.746305  0.650164  1
  Fe  Fe108  1  0.050557  0.474659  0.639989  1
  Fe  Fe109  1  0.658276  0.058978  0.652201  1
  Fe  Fe110  1  0.620370  0.829233  0.614598  1
  Fe  Fe111  1  0.227695  0.412597  0.626905  1
  Fe  Fe112  1  0.527009  0.141113  0.616645  1
  Fe  Fe113  1  0.413956  0.756481  0.622794  1
  Fe  Fe114  1  0.382067  0.495030  0.662692  1
  Fe  Fe115  1  0.363430  0.131640  0.644100  1
  Fe  Fe116  1  0.395963  0.391803  0.604047  1
  Fe  Fe117  1  0.251176  0.746305  0.650164  1
  Fe  Fe118  1  0.550557  0.474659  0.639989  1
  Fe  Fe119  1  0.158276  0.058978  0.652201  1
  Fe  Fe120  1  0.120370  0.829233  0.614598  1
  Fe  Fe121  1  0.793653  0.931765  0.693523  1
  Fe  Fe122  1  0.093193  0.663121  0.683281  1
  Fe  Fe123  1  0.981224  0.280959  0.689374  1
  Fe  Fe124  1  0.944197  0.017373  0.728836  1
  Fe  Fe125  1  0.929176  0.650953  0.710619  1
  Fe  Fe126  1  0.962198  0.912248  0.670844  1
  Fe  Fe127  1  0.816403  0.264404  0.717332  1
  Fe  Fe128  1  0.118412  0.999564  0.706225  1
  Fe  Fe129  1  0.719927  0.578998  0.718581  1
  Fe  Fe130  1  0.686384  0.347684  0.681484  1
  Fe  Fe131  1  0.293653  0.931765  0.693523  1
  Fe  Fe132  1  0.593193  0.663121  0.683281  1
  Fe  Fe133  1  0.481224  0.280959  0.689374  1
  Fe  Fe134  1  0.444197  0.017373  0.728836  1
  Fe  Fe135  1  0.429176  0.650953  0.710619  1
  Fe  Fe136  1  0.462198  0.912248  0.670844  1
  Fe  Fe137  1  0.316403  0.264404  0.717332  1
  Fe  Fe138  1  0.618412  0.999564  0.706225  1
  Fe  Fe139  1  0.219927  0.578998  0.718581  1
  Fe  Fe140  1  0.186384  0.347684  0.681484  1
  C  C141  1  0.710864  0.599699  0.321598  1
  C  C142  1  0.414424  0.539172  0.283471  1
  C  C143  1  0.409698  0.080416  0.277626  1
  C  C144  1  0.707476  0.146240  0.315945  1
  C  C145  1  0.210864  0.599699  0.321598  1
  C  C146  1  0.914424  0.539172  0.283471  1
  C  C147  1  0.909698  0.080416  0.277626  1
  C  C148  1  0.207476  0.146240  0.315945  1
  C  C149  1  0.778427  0.121152  0.388663  1
  C  C150  1  0.479809  0.060648  0.350341  1
  C  C151  1  0.473608  0.604406  0.344214  1
  C  C152  1  0.772283  0.664383  0.382651  1
  C  C153  1  0.278427  0.121152  0.388663  1
  C  C154  1  0.979809  0.060648  0.350341  1
  C  C155  1  0.973608  0.604406  0.344214  1
  C  C156  1  0.272283  0.664383  0.382651  1
  C  C157  1  0.844113  0.641306  0.455433  1
  C  C158  1  0.545595  0.581372  0.416950  1
  C  C159  1  0.539554  0.124614  0.410907  1
  C  C160  1  0.838142  0.184566  0.449417  1
  C  C161  1  0.344113  0.641306  0.455433  1
  C  C162  1  0.045595  0.581372  0.416950  1
  C  C163  1  0.039554  0.124614  0.410907  1
  C  C164  1  0.338142  0.184566  0.449417  1
  C  C165  1  0.909759  0.161446  0.522198  1
  C  C166  1  0.611213  0.101517  0.483682  1
  C  C167  1  0.605239  0.644752  0.477648  1
  C  C168  1  0.903785  0.704681  0.516164  1
  C  C169  1  0.409759  0.161446  0.522198  1
  C  C170  1  0.111213  0.101517  0.483682  1
  C  C171  1  0.105239  0.644752  0.477648  1
  C  C172  1  0.403785  0.704681  0.516164  1
  C  C173  1  0.975444  0.681584  0.588939  1
  C  C174  1  0.676856  0.621632  0.550429  1
  C  C175  1  0.670885  0.164892  0.544413  1
  C  C176  1  0.969404  0.224825  0.582896  1
  C  C177  1  0.475444  0.681584  0.588939  1
  C  C178  1  0.176856  0.621632  0.550429  1
  C  C179  1  0.170885  0.164892  0.544413  1
  C  C180  1  0.469404  0.224825  0.582896  1
  C  C181  1  0.041390  0.201792  0.655632  1
  C  C182  1  0.742715  0.141815  0.617195  1
  C  C183  1  0.736571  0.685046  0.611183  1
  C  C184  1  0.035189  0.745550  0.649505  1
  C  C185  1  0.541390  0.201792  0.655632  1
  C  C186  1  0.242715  0.141815  0.617195  1
  C  C187  1  0.236571  0.685046  0.611183  1
  C  C188  1  0.535189  0.745550  0.649505  1
  C  C189  1  0.105300  0.725782  0.722220  1
  C  C190  1  0.807522  0.659958  0.683901  1
  C  C191  1  0.804135  0.206499  0.678248  1
  C  C192  1  0.100574  0.267026  0.716375  1
  C  C193  1  0.605300  0.725782  0.722220  1
  C  C194  1  0.307522  0.659958  0.683901  1
  C  C195  1  0.304135  0.206499  0.678248  1
  C  C196  1  0.600574  0.267026  0.716375  1
