# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.42775218
_cell_length_b   14.91117859
_cell_length_c   46.35947758
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.60403268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe240 C120'
_cell_volume   7111.72774472
_cell_formula_units_Z   120
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  0.020172  0.630770  0.280043  1
  Fe  Fe2  1  0.520670  0.631471  0.280199  1
  Fe  Fe3  1  0.949017  0.934625  0.310307  1
  Fe  Fe4  1  0.984132  0.283460  0.295068  1
  Fe  Fe5  1  0.448909  0.935099  0.310249  1
  Fe  Fe6  1  0.484123  0.283142  0.295062  1
  Fe  Fe7  1  0.172215  0.479709  0.280029  1
  Fe  Fe8  1  0.672614  0.479189  0.280025  1
  Fe  Fe9  1  0.102089  0.782606  0.309603  1
  Fe  Fe10  1  0.134185  0.132376  0.295244  1
  Fe  Fe11  1  0.600429  0.783311  0.309905  1
  Fe  Fe12  1  0.638222  0.130450  0.294802  1
  Fe  Fe13  1  0.266254  0.647307  0.281742  1
  Fe  Fe14  1  0.767014  0.646144  0.281520  1
  Fe  Fe15  1  0.198325  0.948224  0.311684  1
  Fe  Fe16  1  0.233955  0.297386  0.296390  1
  Fe  Fe17  1  0.698505  0.948053  0.311601  1
  Fe  Fe18  1  0.733554  0.296933  0.296562  1
  Fe  Fe19  1  0.929363  0.470734  0.278904  1
  Fe  Fe20  1  0.429746  0.471170  0.279215  1
  Fe  Fe21  1  0.852138  0.769186  0.308783  1
  Fe  Fe22  1  0.892063  0.120232  0.294247  1
  Fe  Fe23  1  0.354931  0.771264  0.308830  1
  Fe  Fe24  1  0.394233  0.121876  0.294174  1
  Fe  Fe25  1  0.915296  0.586394  0.325681  1
  Fe  Fe26  1  0.415479  0.585994  0.325768  1
  Fe  Fe27  1  0.843649  0.889768  0.355638  1
  Fe  Fe28  1  0.880046  0.238254  0.340497  1
  Fe  Fe29  1  0.343467  0.890090  0.355561  1
  Fe  Fe30  1  0.379205  0.238215  0.340644  1
  Fe  Fe31  1  0.065775  0.435355  0.324941  1
  Fe  Fe32  1  0.565518  0.435013  0.325015  1
  Fe  Fe33  1  0.993372  0.738853  0.355512  1
  Fe  Fe34  1  0.030106  0.086565  0.340166  1
  Fe  Fe35  1  0.492818  0.739369  0.355689  1
  Fe  Fe36  1  0.529843  0.086928  0.340096  1
  Fe  Fe37  1  0.160940  0.600721  0.327145  1
  Fe  Fe38  1  0.661718  0.600747  0.327010  1
  Fe  Fe39  1  0.091044  0.904012  0.357300  1
  Fe  Fe40  1  0.126071  0.252341  0.342052  1
  Fe  Fe41  1  0.590735  0.904300  0.357344  1
  Fe  Fe42  1  0.625621  0.252603  0.342162  1
  Fe  Fe43  1  0.817854  0.421308  0.323706  1
  Fe  Fe44  1  0.317973  0.421872  0.323628  1
  Fe  Fe45  1  0.746718  0.724051  0.354216  1
  Fe  Fe46  1  0.782396  0.072424  0.338906  1
  Fe  Fe47  1  0.246643  0.723844  0.354108  1
  Fe  Fe48  1  0.282544  0.073043  0.338827  1
  Fe  Fe49  1  0.808384  0.541259  0.370924  1
  Fe  Fe50  1  0.308615  0.541270  0.370943  1
  Fe  Fe51  1  0.737975  0.844518  0.401221  1
  Fe  Fe52  1  0.773006  0.192900  0.385998  1
  Fe  Fe53  1  0.237619  0.844582  0.401156  1
  Fe  Fe54  1  0.273085  0.192986  0.385981  1
  Fe  Fe55  1  0.958314  0.390419  0.370693  1
  Fe  Fe56  1  0.458499  0.390415  0.370649  1
  Fe  Fe57  1  0.887036  0.694181  0.401178  1
  Fe  Fe58  1  0.922757  0.042241  0.385838  1
  Fe  Fe59  1  0.387085  0.694189  0.401201  1
  Fe  Fe60  1  0.422683  0.042219  0.385848  1
  Fe  Fe61  1  0.055799  0.555643  0.372322  1
  Fe  Fe62  1  0.555699  0.555521  0.372317  1
  Fe  Fe63  1  0.984878  0.858852  0.402623  1
  Fe  Fe64  1  0.020245  0.207281  0.387393  1
  Fe  Fe65  1  0.484861  0.859078  0.402701  1
  Fe  Fe66  1  0.520250  0.207231  0.387380  1
  Fe  Fe67  1  0.711458  0.375902  0.369209  1
  Fe  Fe68  1  0.211307  0.375778  0.369271  1
  Fe  Fe69  1  0.641098  0.679665  0.399659  1
  Fe  Fe70  1  0.676485  0.027804  0.384386  1
  Fe  Fe71  1  0.141036  0.679436  0.399637  1
  Fe  Fe72  1  0.176298  0.027711  0.384369  1
  Fe  Fe73  1  0.702533  0.496166  0.416339  1
  Fe  Fe74  1  0.202442  0.496228  0.416341  1
  Fe  Fe75  1  0.632190  0.799550  0.446682  1
  Fe  Fe76  1  0.667235  0.147817  0.431427  1
  Fe  Fe77  1  0.132149  0.799491  0.446671  1
  Fe  Fe78  1  0.167295  0.147789  0.431436  1
  Fe  Fe79  1  0.852433  0.345369  0.416108  1
  Fe  Fe80  1  0.351966  0.345665  0.416196  1
  Fe  Fe81  1  0.781756  0.648767  0.446479  1
  Fe  Fe82  1  0.817031  0.997177  0.431213  1
  Fe  Fe83  1  0.281780  0.648748  0.446501  1
  Fe  Fe84  1  0.317103  0.997059  0.431201  1
  Fe  Fe85  1  0.949487  0.510587  0.417818  1
  Fe  Fe86  1  0.449604  0.510537  0.417791  1
  Fe  Fe87  1  0.878658  0.813977  0.448108  1
  Fe  Fe88  1  0.914141  0.162233  0.432897  1
  Fe  Fe89  1  0.378613  0.814039  0.448141  1
  Fe  Fe90  1  0.414054  0.162187  0.432882  1
  Fe  Fe91  1  0.605538  0.331030  0.414702  1
  Fe  Fe92  1  0.105543  0.331091  0.414681  1
  Fe  Fe93  1  0.534871  0.634486  0.445037  1
  Fe  Fe94  1  0.570210  0.982782  0.429794  1
  Fe  Fe95  1  0.034844  0.634406  0.445035  1
  Fe  Fe96  1  0.070181  0.982812  0.429797  1
  Fe  Fe97  1  0.596596  0.451180  0.461776  1
  Fe  Fe98  1  0.096462  0.451222  0.461774  1
  Fe  Fe99  1  0.525932  0.754586  0.492132  1
  Fe  Fe100  1  0.561156  0.102789  0.476894  1
  Fe  Fe101  1  0.025937  0.754555  0.492117  1
  Fe  Fe102  1  0.061262  0.102786  0.476887  1
  Fe  Fe103  1  0.746281  0.300365  0.461557  1
  Fe  Fe104  1  0.246327  0.300394  0.461552  1
  Fe  Fe105  1  0.675676  0.603736  0.491886  1
  Fe  Fe106  1  0.710766  0.952270  0.476738  1
  Fe  Fe107  1  0.175681  0.603748  0.491895  1
  Fe  Fe108  1  0.210948  0.952139  0.476707  1
  Fe  Fe109  1  0.843378  0.465568  0.463220  1
  Fe  Fe110  1  0.343409  0.465568  0.463236  1
  Fe  Fe111  1  0.772649  0.769019  0.493537  1
  Fe  Fe112  1  0.808045  0.117237  0.478352  1
  Fe  Fe113  1  0.272665  0.769031  0.493551  1
  Fe  Fe114  1  0.308068  0.117220  0.478347  1
  Fe  Fe115  1  0.499401  0.285959  0.460129  1
  Fe  Fe116  1  0.999429  0.285943  0.460122  1
  Fe  Fe117  1  0.428743  0.589409  0.490458  1
  Fe  Fe118  1  0.464016  0.937692  0.475269  1
  Fe  Fe119  1  0.928719  0.589373  0.490439  1
  Fe  Fe120  1  0.964067  0.937727  0.475277  1
  Fe  Fe121  1  0.490385  0.406234  0.507212  1
  Fe  Fe122  1  0.990368  0.406240  0.507197  1
  Fe  Fe123  1  0.419744  0.709628  0.537541  1
  Fe  Fe124  1  0.455103  0.057817  0.522385  1
  Fe  Fe125  1  0.919758  0.709573  0.537540  1
  Fe  Fe126  1  0.955296  0.057734  0.522364  1
  Fe  Fe127  1  0.640130  0.255391  0.506972  1
  Fe  Fe128  1  0.140106  0.255431  0.506971  1
  Fe  Fe129  1  0.569428  0.558792  0.537315  1
  Fe  Fe130  1  0.604811  0.907236  0.522209  1
  Fe  Fe131  1  0.069623  0.558765  0.537325  1
  Fe  Fe132  1  0.104888  0.907149  0.522203  1
  Fe  Fe133  1  0.737316  0.420562  0.508642  1
  Fe  Fe134  1  0.237337  0.420613  0.508653  1
  Fe  Fe135  1  0.666647  0.724019  0.538962  1
  Fe  Fe136  1  0.702002  0.072259  0.523825  1
  Fe  Fe137  1  0.166631  0.724036  0.538976  1
  Fe  Fe138  1  0.202028  0.072285  0.523822  1
  Fe  Fe139  1  0.393394  0.240957  0.505560  1
  Fe  Fe140  1  0.893404  0.240952  0.505544  1
  Fe  Fe141  1  0.322700  0.544407  0.535870  1
  Fe  Fe142  1  0.358000  0.892747  0.520746  1
  Fe  Fe143  1  0.822629  0.544414  0.535865  1
  Fe  Fe144  1  0.857997  0.892758  0.520748  1
  Fe  Fe145  1  0.384287  0.361198  0.552615  1
  Fe  Fe146  1  0.884292  0.361244  0.552596  1
  Fe  Fe147  1  0.313628  0.664644  0.582992  1
  Fe  Fe148  1  0.348922  0.012903  0.567896  1
  Fe  Fe149  1  0.814105  0.664269  0.582892  1
  Fe  Fe150  1  0.849056  0.012821  0.567886  1
  Fe  Fe151  1  0.533876  0.210468  0.552424  1
  Fe  Fe152  1  0.033894  0.210450  0.552417  1
  Fe  Fe153  1  0.463613  0.513770  0.582765  1
  Fe  Fe154  1  0.498785  0.862215  0.567669  1
  Fe  Fe155  1  0.963539  0.513793  0.582746  1
  Fe  Fe156  1  0.998800  0.862137  0.567660  1
  Fe  Fe157  1  0.631201  0.375492  0.554059  1
  Fe  Fe158  1  0.131198  0.375573  0.554061  1
  Fe  Fe159  1  0.560478  0.678927  0.584399  1
  Fe  Fe160  1  0.595851  0.027177  0.569303  1
  Fe  Fe161  1  0.060554  0.678916  0.584406  1
  Fe  Fe162  1  0.095866  0.027183  0.569301  1
  Fe  Fe163  1  0.287432  0.195969  0.550962  1
  Fe  Fe164  1  0.787412  0.195973  0.550982  1
  Fe  Fe165  1  0.216567  0.499401  0.581286  1
  Fe  Fe166  1  0.251924  0.847761  0.566194  1
  Fe  Fe167  1  0.716457  0.499434  0.581297  1
  Fe  Fe168  1  0.751986  0.847780  0.566221  1
  Fe  Fe169  1  0.278994  0.315796  0.597907  1
  Fe  Fe170  1  0.779009  0.315791  0.597905  1
  Fe  Fe171  1  0.207785  0.619520  0.628378  1
  Fe  Fe172  1  0.243371  0.967811  0.613211  1
  Fe  Fe173  1  0.707505  0.619615  0.628476  1
  Fe  Fe174  1  0.743289  0.967689  0.613300  1
  Fe  Fe175  1  0.428437  0.165462  0.597924  1
  Fe  Fe176  1  0.928084  0.165390  0.597895  1
  Fe  Fe177  1  0.357635  0.468646  0.628179  1
  Fe  Fe178  1  0.393055  0.817078  0.613104  1
  Fe  Fe179  1  0.857481  0.468787  0.628145  1
  Fe  Fe180  1  0.892967  0.816995  0.613108  1
  Fe  Fe181  1  0.524976  0.330377  0.599470  1
  Fe  Fe182  1  0.025001  0.330478  0.599427  1
  Fe  Fe183  1  0.454875  0.634404  0.629867  1
  Fe  Fe184  1  0.489742  0.982313  0.614728  1
  Fe  Fe185  1  0.954492  0.633895  0.629842  1
  Fe  Fe186  1  0.989574  0.982119  0.614711  1
  Fe  Fe187  1  0.181199  0.150984  0.596397  1
  Fe  Fe188  1  0.681172  0.151045  0.596472  1
  Fe  Fe189  1  0.110320  0.454344  0.626751  1
  Fe  Fe190  1  0.145755  0.802668  0.611680  1
  Fe  Fe191  1  0.610301  0.454452  0.626797  1
  Fe  Fe192  1  0.645854  0.802784  0.611748  1
  Fe  Fe193  1  0.173231  0.270626  0.643404  1
  Fe  Fe194  1  0.672696  0.271114  0.643587  1
  Fe  Fe195  1  0.100605  0.574336  0.674177  1
  Fe  Fe196  1  0.135967  0.923341  0.658935  1
  Fe  Fe197  1  0.600226  0.575235  0.674060  1
  Fe  Fe198  1  0.636148  0.923145  0.659001  1
  Fe  Fe199  1  0.322529  0.120105  0.643503  1
  Fe  Fe200  1  0.822479  0.119985  0.643495  1
  Fe  Fe201  1  0.250892  0.423923  0.673352  1
  Fe  Fe202  1  0.286090  0.771578  0.658629  1
  Fe  Fe203  1  0.750457  0.423650  0.673388  1
  Fe  Fe204  1  0.786705  0.771922  0.658413  1
  Fe  Fe205  1  0.419436  0.286108  0.644980  1
  Fe  Fe206  1  0.919315  0.285959  0.644888  1
  Fe  Fe207  1  0.347854  0.588101  0.675454  1
  Fe  Fe208  1  0.383696  0.937671  0.660203  1
  Fe  Fe209  1  0.848457  0.588659  0.675407  1
  Fe  Fe210  1  0.883444  0.936821  0.660260  1
  Fe  Fe211  1  0.074913  0.105797  0.641709  1
  Fe  Fe212  1  0.575404  0.105852  0.641842  1
  Fe  Fe213  1  0.004225  0.409207  0.672124  1
  Fe  Fe214  1  0.040147  0.757523  0.657051  1
  Fe  Fe215  1  0.505226  0.409287  0.671900  1
  Fe  Fe216  1  0.540304  0.757479  0.656929  1
  Fe  Fe217  1  0.065502  0.226806  0.689178  1
  Fe  Fe218  1  0.564029  0.227287  0.689515  1
  Fe  Fe219  1  0.993240  0.530537  0.719108  1
  Fe  Fe220  1  0.031722  0.877504  0.703889  1
  Fe  Fe221  1  0.494104  0.530501  0.719020  1
  Fe  Fe222  1  0.527568  0.879853  0.704283  1
  Fe  Fe223  1  0.217037  0.075134  0.688780  1
  Fe  Fe224  1  0.717133  0.075100  0.688861  1
  Fe  Fe225  1  0.145357  0.378672  0.718873  1
  Fe  Fe226  1  0.182057  0.726368  0.704017  1
  Fe  Fe227  1  0.645918  0.378988  0.719086  1
  Fe  Fe228  1  0.681812  0.727000  0.704049  1
  Fe  Fe229  1  0.311153  0.238695  0.690207  1
  Fe  Fe230  1  0.813885  0.240839  0.690372  1
  Fe  Fe231  1  0.236720  0.538533  0.719964  1
  Fe  Fe232  1  0.273800  0.889771  0.704844  1
  Fe  Fe233  1  0.736348  0.539510  0.720117  1
  Fe  Fe234  1  0.771892  0.887997  0.704907  1
  Fe  Fe235  1  0.967567  0.061928  0.687491  1
  Fe  Fe236  1  0.467676  0.061775  0.687425  1
  Fe  Fe237  1  0.899072  0.363802  0.717579  1
  Fe  Fe238  1  0.932501  0.712487  0.702708  1
  Fe  Fe239  1  0.399822  0.362687  0.717352  1
  Fe  Fe240  1  0.432169  0.713101  0.702510  1
  C  C241  1  0.793149  0.533962  0.302735  1
  C  C242  1  0.292545  0.534691  0.302733  1
  C  C243  1  0.828949  0.880673  0.287183  1
  C  C244  1  0.863519  0.230220  0.271887  1
  C  C245  1  0.328510  0.882159  0.286920  1
  C  C246  1  0.257236  0.185466  0.317730  1
  C  C247  1  0.078908  0.380996  0.287241  1
  C  C248  1  0.578846  0.380754  0.287299  1
  C  C249  1  0.007246  0.685305  0.317704  1
  C  C250  1  0.043715  0.032206  0.302466  1
  C  C251  1  0.612787  0.730189  0.272030  1
  C  C252  1  0.544181  0.032378  0.302424  1
  C  C253  1  0.686681  0.488186  0.348039  1
  C  C254  1  0.186847  0.488074  0.348117  1
  C  C255  1  0.721160  0.836390  0.333082  1
  C  C256  1  0.757013  0.185215  0.318016  1
  C  C257  1  0.221457  0.836245  0.333003  1
  C  C258  1  0.151259  0.139889  0.363142  1
  C  C259  1  0.972368  0.337178  0.332845  1
  C  C260  1  0.471651  0.336990  0.332825  1
  C  C261  1  0.901207  0.640055  0.363461  1
  C  C262  1  0.936850  0.988313  0.348089  1
  C  C263  1  0.507291  0.685093  0.317992  1
  C  C264  1  0.436685  0.988654  0.348048  1
  C  C265  1  0.580545  0.443251  0.393495  1
  C  C266  1  0.080386  0.443368  0.393499  1
  C  C267  1  0.615733  0.791791  0.378396  1
  C  C268  1  0.651239  0.139895  0.363108  1
  C  C269  1  0.115739  0.791475  0.378330  1
  C  C270  1  0.045132  0.095048  0.408594  1
  C  C271  1  0.865797  0.291584  0.378334  1
  C  C272  1  0.365862  0.291756  0.378444  1
  C  C273  1  0.795156  0.594950  0.408710  1
  C  C274  1  0.830615  0.943207  0.393465  1
  C  C275  1  0.401279  0.640145  0.363472  1
  C  C276  1  0.330494  0.943181  0.393438  1
  C  C277  1  0.474470  0.398275  0.438973  1
  C  C278  1  0.974427  0.398249  0.438961  1
  C  C279  1  0.509821  0.746834  0.423896  1
  C  C280  1  0.545112  0.095017  0.408591  1
  C  C281  1  0.009872  0.746717  0.423875  1
  C  C282  1  0.939070  0.049963  0.454078  1
  C  C283  1  0.759833  0.246602  0.423782  1
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  C  C301  1  0.262233  0.308269  0.529794  1
  C  C302  1  0.762269  0.308231  0.529791  1
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  C  C313  1  0.156228  0.263219  0.575198  1
  C  C314  1  0.656193  0.263188  0.575223  1
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  C  C318  1  0.620940  0.914957  0.590514  1
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  C  C321  1  0.370898  0.415022  0.590383  1
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  C  C332  1  0.835425  0.066705  0.605646  1
  C  C333  1  0.264808  0.369843  0.635635  1
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  C  C339  1  0.979357  0.521657  0.651036  1
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  C  C342  1  0.408957  0.824867  0.681085  1
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  C  C347  1  0.764821  0.369917  0.635620  1
  C  C348  1  0.694309  0.673163  0.666285  1
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  C  C354  1  0.302371  0.779821  0.727222  1
  C  C355  1  0.122054  0.977719  0.696632  1
  C  C356  1  0.622119  0.977670  0.696678  1
  C  C357  1  0.053427  0.279870  0.727061  1
  C  C358  1  0.087432  0.628768  0.711868  1
  C  C359  1  0.658764  0.324633  0.681399  1
  C  C360  1  0.586989  0.629422  0.711785  1
