# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56604628
_cell_length_b   22.91387643
_cell_length_c   48.85678500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.20101395
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe210 C84'
_cell_volume   5090.63535878
_cell_formula_units_Z   42
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  0.620319  0.517707  0.309864  1
  Fe  Fe2  1  0.591155  0.132566  0.331928  1
  Fe  Fe3  1  0.638923  0.902706  0.286968  1
  Fe  Fe4  1  0.810850  0.481742  0.269329  1
  Fe  Fe5  1  0.789282  0.095933  0.291084  1
  Fe  Fe6  1  0.772939  0.712624  0.314197  1
  Fe  Fe7  1  0.990537  0.658971  0.281678  1
  Fe  Fe8  1  0.958032  0.274333  0.304463  1
  Fe  Fe9  1  0.937511  0.890461  0.327009  1
  Fe  Fe10  1  0.471761  0.625444  0.296777  1
  Fe  Fe11  1  0.442857  0.239765  0.319986  1
  Fe  Fe12  1  0.460531  0.002004  0.276771  1
  Fe  Fe13  1  0.958628  0.372416  0.282533  1
  Fe  Fe14  1  0.940608  0.988662  0.304972  1
  Fe  Fe15  1  0.917643  0.604901  0.326846  1
  Fe  Fe16  1  0.134035  0.541362  0.299629  1
  Fe  Fe17  1  0.100251  0.155473  0.321958  1
  Fe  Fe18  1  0.140000  0.908677  0.272557  1
  Fe  Fe19  1  0.427916  0.417408  0.325318  1
  Fe  Fe20  1  0.475504  0.186270  0.281207  1
  Fe  Fe21  1  0.449496  0.803553  0.303312  1
  Fe  Fe22  1  0.303087  0.457275  0.279804  1
  Fe  Fe23  1  0.279747  0.074022  0.303074  1
  Fe  Fe24  1  0.258141  0.690211  0.324934  1
  Fe  Fe25  1  0.442972  0.340651  0.296361  1
  Fe  Fe26  1  0.419799  0.955837  0.320011  1
  Fe  Fe27  1  0.475388  0.725234  0.274630  1
  Fe  Fe28  1  0.934669  0.427564  0.321107  1
  Fe  Fe29  1  0.986157  0.196327  0.276962  1
  Fe  Fe30  1  0.957042  0.811670  0.298714  1
  Fe  Fe31  1  0.543594  0.363838  0.376444  1
  Fe  Fe32  1  0.517122  0.979225  0.398724  1
  Fe  Fe33  1  0.567246  0.748719  0.354001  1
  Fe  Fe34  1  0.743423  0.327726  0.336412  1
  Fe  Fe35  1  0.716518  0.943719  0.359033  1
  Fe  Fe36  1  0.695553  0.558715  0.380847  1
  Fe  Fe37  1  0.917014  0.505067  0.349122  1
  Fe  Fe38  1  0.888953  0.120823  0.371614  1
  Fe  Fe39  1  0.864696  0.735983  0.393546  1
  Fe  Fe40  1  0.398794  0.471808  0.363687  1
  Fe  Fe41  1  0.371308  0.087098  0.386307  1
  Fe  Fe42  1  0.423000  0.856960  0.341509  1
  Fe  Fe43  1  0.889133  0.219923  0.349198  1
  Fe  Fe44  1  0.863673  0.835460  0.371337  1
  Fe  Fe45  1  0.840980  0.450709  0.393516  1
  Fe  Fe46  1  0.056549  0.386679  0.366130  1
  Fe  Fe47  1  0.029973  0.002629  0.388750  1
  Fe  Fe48  1  0.080261  0.771963  0.343957  1
  Fe  Fe49  1  0.353900  0.263885  0.391959  1
  Fe  Fe50  1  0.405392  0.033779  0.347293  1
  Fe  Fe51  1  0.379952  0.649092  0.369316  1
  Fe  Fe52  1  0.231240  0.304720  0.346789  1
  Fe  Fe53  1  0.205073  0.920268  0.369171  1
  Fe  Fe54  1  0.182651  0.535648  0.391097  1
  Fe  Fe55  1  0.372157  0.186595  0.363886  1
  Fe  Fe56  1  0.346477  0.801778  0.385950  1
  Fe  Fe57  1  0.398584  0.571272  0.341505  1
  Fe  Fe58  1  0.858505  0.273991  0.387839  1
  Fe  Fe59  1  0.905962  0.043955  0.343407  1
  Fe  Fe60  1  0.883877  0.658546  0.365474  1
  Fe  Fe61  1  0.468273  0.209971  0.443196  1
  Fe  Fe62  1  0.442668  0.825143  0.465250  1
  Fe  Fe63  1  0.492449  0.594515  0.420708  1
  Fe  Fe64  1  0.669349  0.174114  0.403302  1
  Fe  Fe65  1  0.643906  0.789469  0.425364  1
  Fe  Fe66  1  0.620114  0.404730  0.447547  1
  Fe  Fe67  1  0.840862  0.351280  0.415860  1
  Fe  Fe68  1  0.814763  0.966730  0.438173  1
  Fe  Fe69  1  0.789844  0.581931  0.460152  1
  Fe  Fe70  1  0.322895  0.317882  0.430469  1
  Fe  Fe71  1  0.297254  0.933159  0.452796  1
  Fe  Fe72  1  0.347080  0.702498  0.408110  1
  Fe  Fe73  1  0.814273  0.066197  0.415961  1
  Fe  Fe74  1  0.789314  0.681404  0.437896  1
  Fe  Fe75  1  0.765476  0.296809  0.460276  1
  Fe  Fe76  1  0.981151  0.232937  0.432920  1
  Fe  Fe77  1  0.955273  0.848192  0.455031  1
  Fe  Fe78  1  0.005295  0.617631  0.410521  1
  Fe  Fe79  1  0.278891  0.110022  0.458644  1
  Fe  Fe80  1  0.328034  0.879281  0.414149  1
  Fe  Fe81  1  0.304466  0.494761  0.436102  1
  Fe  Fe82  1  0.156413  0.151154  0.413491  1
  Fe  Fe83  1  0.131213  0.766374  0.435543  1
  Fe  Fe84  1  0.107171  0.381721  0.457788  1
  Fe  Fe85  1  0.297413  0.032699  0.430551  1
  Fe  Fe86  1  0.271812  0.647901  0.452485  1
  Fe  Fe87  1  0.322778  0.417337  0.408116  1
  Fe  Fe88  1  0.783391  0.120008  0.454543  1
  Fe  Fe89  1  0.832933  0.889271  0.410025  1
  Fe  Fe90  1  0.808470  0.504541  0.432139  1
  Fe  Fe91  1  0.393181  0.055886  0.509821  1
  Fe  Fe92  1  0.367809  0.671152  0.531785  1
  Fe  Fe93  1  0.417591  0.440559  0.487444  1
  Fe  Fe94  1  0.594558  0.020153  0.469939  1
  Fe  Fe95  1  0.569186  0.635418  0.491903  1
  Fe  Fe96  1  0.544777  0.250745  0.514281  1
  Fe  Fe97  1  0.765441  0.197347  0.482587  1
  Fe  Fe98  1  0.740073  0.812677  0.504672  1
  Fe  Fe99  1  0.714812  0.427902  0.526859  1
  Fe  Fe100  1  0.247719  0.163913  0.497178  1
  Fe  Fe101  1  0.222489  0.779175  0.519255  1
  Fe  Fe102  1  0.272171  0.548507  0.474726  1
  Fe  Fe103  1  0.739879  0.912129  0.482470  1
  Fe  Fe104  1  0.714648  0.527392  0.504547  1
  Fe  Fe105  1  0.690196  0.142797  0.526998  1
  Fe  Fe106  1  0.906003  0.078975  0.499616  1
  Fe  Fe107  1  0.880478  0.694209  0.521575  1
  Fe  Fe108  1  0.930400  0.463570  0.477205  1
  Fe  Fe109  1  0.204248  0.956041  0.525197  1
  Fe  Fe110  1  0.253704  0.725316  0.480593  1
  Fe  Fe111  1  0.229157  0.340724  0.502860  1
  Fe  Fe112  1  0.081889  0.997095  0.480149  1
  Fe  Fe113  1  0.056364  0.612329  0.502109  1
  Fe  Fe114  1  0.031967  0.227734  0.524520  1
  Fe  Fe115  1  0.222295  0.878627  0.497052  1
  Fe  Fe116  1  0.196926  0.493958  0.519138  1
  Fe  Fe117  1  0.247556  0.263402  0.474865  1
  Fe  Fe118  1  0.708663  0.965989  0.521132  1
  Fe  Fe119  1  0.758119  0.735263  0.476527  1
  Fe  Fe120  1  0.733211  0.350580  0.498864  1
  Fe  Fe121  1  0.318462  0.901836  0.576361  1
  Fe  Fe122  1  0.293018  0.517190  0.598423  1
  Fe  Fe123  1  0.342253  0.286575  0.554177  1
  Fe  Fe124  1  0.519700  0.866162  0.536474  1
  Fe  Fe125  1  0.494094  0.481333  0.558529  1
  Fe  Fe126  1  0.469918  0.096789  0.581017  1
  Fe  Fe127  1  0.690556  0.043403  0.549239  1
  Fe  Fe128  1  0.664955  0.658606  0.571173  1
  Fe  Fe129  1  0.639590  0.273968  0.593609  1
  Fe  Fe130  1  0.173053  0.009901  0.563829  1
  Fe  Fe131  1  0.148094  0.625108  0.585764  1
  Fe  Fe132  1  0.196891  0.394495  0.541448  1
  Fe  Fe133  1  0.665113  0.758145  0.548929  1
  Fe  Fe134  1  0.639472  0.373422  0.571255  1
  Fe  Fe135  1  0.615287  0.988806  0.593614  1
  Fe  Fe136  1  0.831154  0.924931  0.566181  1
  Fe  Fe137  1  0.805955  0.540151  0.588234  1
  Fe  Fe138  1  0.855196  0.309584  0.543937  1
  Fe  Fe139  1  0.129434  0.802033  0.591699  1
  Fe  Fe140  1  0.178976  0.571297  0.547182  1
  Fe  Fe141  1  0.153897  0.186763  0.569586  1
  Fe  Fe142  1  0.007095  0.843113  0.546693  1
  Fe  Fe143  1  0.981216  0.458367  0.568804  1
  Fe  Fe144  1  0.957072  0.073674  0.591203  1
  Fe  Fe145  1  0.147605  0.724574  0.563551  1
  Fe  Fe146  1  0.121506  0.340024  0.585864  1
  Fe  Fe147  1  0.172524  0.109373  0.541572  1
  Fe  Fe148  1  0.634333  0.812024  0.587576  1
  Fe  Fe149  1  0.683477  0.581283  0.543080  1
  Fe  Fe150  1  0.657901  0.196544  0.565623  1
  Fe  Fe151  1  0.245849  0.747586  0.642692  1
  Fe  Fe152  1  0.218945  0.363578  0.665313  1
  Fe  Fe153  1  0.266814  0.132589  0.620878  1
  Fe  Fe154  1  0.445245  0.712080  0.603001  1
  Fe  Fe155  1  0.418773  0.327466  0.625280  1
  Fe  Fe156  1  0.395121  0.942585  0.647724  1
  Fe  Fe157  1  0.615890  0.889527  0.615775  1
  Fe  Fe158  1  0.590211  0.504710  0.637839  1
  Fe  Fe159  1  0.563784  0.120033  0.660219  1
  Fe  Fe160  1  0.098695  0.855845  0.630388  1
  Fe  Fe161  1  0.073235  0.471381  0.652527  1
  Fe  Fe162  1  0.121387  0.240596  0.608208  1
  Fe  Fe163  1  0.591059  0.604206  0.615417  1
  Fe  Fe164  1  0.563573  0.219496  0.638038  1
  Fe  Fe165  1  0.539368  0.834344  0.660215  1
  Fe  Fe166  1  0.757295  0.771037  0.632553  1
  Fe  Fe167  1  0.731128  0.386584  0.654936  1
  Fe  Fe168  1  0.779717  0.155656  0.610628  1
  Fe  Fe169  1  0.056406  0.647350  0.658317  1
  Fe  Fe170  1  0.103862  0.417313  0.613885  1
  Fe  Fe171  1  0.078490  0.032758  0.636250  1
  Fe  Fe172  1  0.932395  0.688676  0.612975  1
  Fe  Fe173  1  0.905819  0.304626  0.635594  1
  Fe  Fe174  1  0.882107  0.919341  0.657768  1
  Fe  Fe175  1  0.073414  0.570482  0.630110  1
  Fe  Fe176  1  0.045353  0.186237  0.652603  1
  Fe  Fe177  1  0.097672  0.955321  0.608179  1
  Fe  Fe178  1  0.556975  0.657526  0.654432  1
  Fe  Fe179  1  0.608468  0.427420  0.609765  1
  Fe  Fe180  1  0.582415  0.042213  0.632408  1
  Fe  Fe181  1  0.173085  0.595371  0.710640  1
  Fe  Fe182  1  0.151517  0.209562  0.732395  1
  Fe  Fe183  1  0.189428  0.978681  0.687528  1
  Fe  Fe184  1  0.371213  0.558738  0.669797  1
  Fe  Fe185  1  0.342049  0.173597  0.691860  1
  Fe  Fe186  1  0.323444  0.788599  0.714757  1
  Fe  Fe187  1  0.542569  0.735467  0.681714  1
  Fe  Fe188  1  0.519395  0.350654  0.705364  1
  Fe  Fe189  1  0.486980  0.966070  0.727094  1
  Fe  Fe190  1  0.021760  0.702642  0.696752  1
  Fe  Fe191  1  0.003740  0.318889  0.719191  1
  Fe  Fe192  1  0.044725  0.086404  0.674878  1
  Fe  Fe193  1  0.519510  0.451540  0.681738  1
  Fe  Fe194  1  0.490606  0.065861  0.704947  1
  Fe  Fe195  1  0.501837  0.689300  0.724953  1
  Fe  Fe196  1  0.682621  0.617282  0.698650  1
  Fe  Fe197  1  0.659280  0.234029  0.721920  1
  Fe  Fe198  1  0.704226  0.001093  0.676790  1
  Fe  Fe199  1  0.976210  0.494977  0.724762  1
  Fe  Fe200  1  0.027698  0.263740  0.680618  1
  Fe  Fe201  1  0.005325  0.879635  0.703011  1
  Fe  Fe202  1  0.862116  0.535832  0.679766  1
  Fe  Fe203  1  0.828332  0.149943  0.702096  1
  Fe  Fe204  1  0.822367  0.782628  0.729167  1
  Fe  Fe205  1  0.004336  0.416972  0.697262  1
  Fe  Fe206  1  0.971831  0.032333  0.720046  1
  Fe  Fe207  1  0.024857  0.800844  0.674715  1
  Fe  Fe208  1  0.486864  0.505035  0.720517  1
  Fe  Fe209  1  0.534452  0.273897  0.676406  1
  Fe  Fe210  1  0.512872  0.887752  0.698413  1
  C  C211  1  0.259013  0.491096  0.327997  1
  C  C212  1  0.305610  0.259786  0.284309  1
  C  C213  1  0.281510  0.877308  0.306024  1
  C  C214  1  0.636873  0.417886  0.291131  1
  C  C215  1  0.611584  0.032564  0.312982  1
  C  C216  1  0.655944  0.803399  0.269020  1
  C  C217  1  0.802509  0.582038  0.288874  1
  C  C218  1  0.772245  0.196863  0.310853  1
  C  C219  1  0.750318  0.812950  0.332991  1
  C  C220  1  0.104337  0.354007  0.318121  1
  C  C221  1  0.156558  0.122890  0.274085  1
  C  C222  1  0.133899  0.738884  0.295905  1
  C  C223  1  0.183362  0.337369  0.394800  1
  C  C224  1  0.232163  0.106880  0.350670  1
  C  C225  1  0.207583  0.722334  0.372487  1
  C  C226  1  0.561631  0.263844  0.357712  1
  C  C227  1  0.535248  0.879103  0.379877  1
  C  C228  1  0.588073  0.648434  0.335099  1
  C  C229  1  0.726811  0.427893  0.355344  1
  C  C230  1  0.699927  0.043531  0.377757  1
  C  C231  1  0.675297  0.658713  0.399675  1
  C  C232  1  0.029191  0.200546  0.384870  1
  C  C233  1  0.077556  0.970538  0.340928  1
  C  C234  1  0.055957  0.585236  0.362535  1
  C  C235  1  0.107947  0.183457  0.461524  1
  C  C236  1  0.157376  0.952728  0.417152  1
  C  C237  1  0.132288  0.568051  0.439077  1
  C  C238  1  0.486097  0.110011  0.424369  1
  C  C239  1  0.461023  0.725172  0.446325  1
  C  C240  1  0.512695  0.494524  0.401883  1
  C  C241  1  0.651229  0.274076  0.422111  1
  C  C242  1  0.625509  0.889444  0.444287  1
  C  C243  1  0.600489  0.504691  0.466372  1
  C  C244  1  0.954767  0.046630  0.451584  1
  C  C245  1  0.003959  0.815871  0.406968  1
  C  C246  1  0.980333  0.431215  0.429192  1
  C  C247  1  0.032988  0.029427  0.528183  1
  C  C248  1  0.082443  0.798695  0.483609  1
  C  C249  1  0.057341  0.414059  0.505789  1
  C  C250  1  0.411707  0.955903  0.490937  1
  C  C251  1  0.386308  0.571192  0.512913  1
  C  C252  1  0.437118  0.340618  0.468625  1
  C  C253  1  0.576060  0.120113  0.488811  1
  C  C254  1  0.550660  0.735402  0.510788  1
  C  C255  1  0.525249  0.350687  0.533100  1
  C  C256  1  0.879924  0.892609  0.518116  1
  C  C257  1  0.929379  0.661877  0.473541  1
  C  C258  1  0.905027  0.277246  0.495935  1
  C  C259  1  0.958409  0.875433  0.594757  1
  C  C260  1  0.007600  0.644674  0.550140  1
  C  C261  1  0.982034  0.260090  0.572532  1
  C  C262  1  0.336858  0.801861  0.557437  1
  C  C263  1  0.311138  0.417229  0.579613  1
  C  C264  1  0.361878  0.186614  0.535353  1
  C  C265  1  0.501344  0.966133  0.555400  1
  C  C266  1  0.476271  0.581293  0.577356  1
  C  C267  1  0.449673  0.196780  0.599842  1
  C  C268  1  0.804992  0.738576  0.584573  1
  C  C269  1  0.854421  0.507848  0.540200  1
  C  C270  1  0.830080  0.123254  0.562648  1
  C  C271  1  0.884812  0.720767  0.660797  1
  C  C272  1  0.933177  0.490758  0.616855  1
  C  C273  1  0.906410  0.106068  0.639190  1
  C  C274  1  0.262440  0.647774  0.623967  1
  C  C275  1  0.235557  0.263412  0.646381  1
  C  C276  1  0.287070  0.032591  0.602049  1
  C  C277  1  0.427119  0.812202  0.621847  1
  C  C278  1  0.400736  0.427461  0.644013  1
  C  C279  1  0.374294  0.042870  0.666626  1
  C  C280  1  0.730204  0.584425  0.651055  1
  C  C281  1  0.779006  0.353936  0.606925  1
  C  C282  1  0.754784  0.968970  0.629238  1
  C  C283  1  0.805809  0.568415  0.727639  1
  C  C284  1  0.858030  0.337297  0.683604  1
  C  C285  1  0.828468  0.952420  0.705820  1
  C  C286  1  0.190122  0.494442  0.690871  1
  C  C287  1  0.159859  0.109267  0.712850  1
  C  C288  1  0.212049  0.878355  0.668733  1
  C  C289  1  0.350783  0.658741  0.688742  1
  C  C290  1  0.325495  0.273419  0.710594  1
  C  C291  1  0.306423  0.887906  0.732705  1
  C  C292  1  0.656758  0.431519  0.717416  1
  C  C293  1  0.703355  0.200209  0.673727  1
  C  C294  1  0.680857  0.813997  0.695700  1
