# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.17368964
_cell_length_b   10.60826627
_cell_length_c   51.60659296
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   130.70233616
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe240 C96'
_cell_volume   5882.52056037
_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  0.524557  0.439680  0.316016  1
  Fe  Fe2  1  0.473684  0.795955  0.276450  1
  Fe  Fe3  1  0.845242  0.023821  0.323629  1
  Fe  Fe4  1  0.793929  0.389782  0.284350  1
  Fe  Fe5  1  0.718333  0.730985  0.318687  1
  Fe  Fe6  1  0.672179  0.094116  0.279491  1
  Fe  Fe7  1  0.681321  0.503543  0.345281  1
  Fe  Fe8  1  0.633776  0.869028  0.306941  1
  Fe  Fe9  1  0.597209  0.658400  0.276643  1
  Fe  Fe10  1  0.640989  0.285606  0.314836  1
  Fe  Fe11  1  0.680491  0.515307  0.288636  1
  Fe  Fe12  1  0.730073  0.150894  0.326480  1
  Fe  Fe13  1  0.462716  0.353198  0.271484  1
  Fe  Fe14  1  0.517172  0.993405  0.310110  1
  Fe  Fe15  1  0.837721  0.580740  0.318143  1
  Fe  Fe16  1  0.785651  0.941737  0.278732  1
  Fe  Fe17  1  0.394068  0.518918  0.289468  1
  Fe  Fe18  1  0.444474  0.158338  0.327465  1
  Fe  Fe19  1  0.397797  0.045073  0.286657  1
  Fe  Fe20  1  0.442510  0.680779  0.325312  1
  Fe  Fe21  1  0.047661  0.257435  0.335043  1
  Fe  Fe22  1  0.996307  0.621854  0.296785  1
  Fe  Fe23  1  0.318097  0.207525  0.304080  1
  Fe  Fe24  1  0.369568  0.845049  0.342615  1
  Fe  Fe25  1  0.193461  0.913744  0.299316  1
  Fe  Fe26  1  0.243535  0.549903  0.337723  1
  Fe  Fe27  1  0.105853  0.051799  0.287061  1
  Fe  Fe28  1  0.157288  0.687352  0.326053  1
  Fe  Fe29  1  0.168048  0.108739  0.334422  1
  Fe  Fe30  1  0.123002  0.481896  0.295730  1
  Fe  Fe31  1  0.204371  0.336119  0.307956  1
  Fe  Fe32  1  0.156456  0.706018  0.268811  1
  Fe  Fe33  1  0.042364  0.814780  0.329667  1
  Fe  Fe34  1  0.996760  0.179542  0.289948  1
  Fe  Fe35  1  0.362402  0.399745  0.336959  1
  Fe  Fe36  1  0.311763  0.763070  0.298010  1
  Fe  Fe37  1  0.878126  0.718290  0.269138  1
  Fe  Fe38  1  0.918545  0.338511  0.307520  1
  Fe  Fe39  1  0.916026  0.864159  0.306385  1
  Fe  Fe40  1  0.965304  0.497481  0.344363  1
  Fe  Fe41  1  0.623316  0.710763  0.392936  1
  Fe  Fe42  1  0.574601  0.075320  0.354362  1
  Fe  Fe43  1  0.942910  0.297152  0.400512  1
  Fe  Fe44  1  0.892831  0.659008  0.361934  1
  Fe  Fe45  1  0.817461  0.002772  0.395675  1
  Fe  Fe46  1  0.768322  0.366001  0.356503  1
  Fe  Fe47  1  0.780425  0.775262  0.422328  1
  Fe  Fe48  1  0.731060  0.139452  0.383750  1
  Fe  Fe49  1  0.692934  0.924695  0.353707  1
  Fe  Fe50  1  0.741623  0.559837  0.392132  1
  Fe  Fe51  1  0.779266  0.788102  0.365563  1
  Fe  Fe52  1  0.828670  0.423393  0.403731  1
  Fe  Fe53  1  0.566982  0.630474  0.348546  1
  Fe  Fe54  1  0.616757  0.266675  0.386973  1
  Fe  Fe55  1  0.936650  0.852605  0.394833  1
  Fe  Fe56  1  0.886859  0.216458  0.356076  1
  Fe  Fe57  1  0.494366  0.793985  0.366097  1
  Fe  Fe58  1  0.543495  0.429502  0.404539  1
  Fe  Fe59  1  0.491303  0.315311  0.363721  1
  Fe  Fe60  1  0.540690  0.951741  0.402333  1
  Fe  Fe61  1  0.148008  0.529069  0.412186  1
  Fe  Fe62  1  0.098538  0.893562  0.373632  1
  Fe  Fe63  1  0.418195  0.478961  0.381180  1
  Fe  Fe64  1  0.467998  0.114943  0.419701  1
  Fe  Fe65  1  0.292957  0.184940  0.376123  1
  Fe  Fe66  1  0.342515  0.820826  0.414651  1
  Fe  Fe67  1  0.206291  0.322389  0.364474  1
  Fe  Fe68  1  0.255750  0.957823  0.402984  1
  Fe  Fe69  1  0.266510  0.379511  0.411333  1
  Fe  Fe70  1  0.217433  0.743194  0.372785  1
  Fe  Fe71  1  0.303827  0.606445  0.384549  1
  Fe  Fe72  1  0.254640  0.970442  0.345751  1
  Fe  Fe73  1  0.141646  0.085426  0.406454  1
  Fe  Fe74  1  0.091735  0.448813  0.367548  1
  Fe  Fe75  1  0.460736  0.670246  0.413935  1
  Fe  Fe76  1  0.411284  0.034794  0.375253  1
  Fe  Fe77  1  0.970116  0.977220  0.346712  1
  Fe  Fe78  1  0.018704  0.611246  0.385269  1
  Fe  Fe79  1  0.016007  0.134311  0.383184  1
  Fe  Fe80  1  0.065356  0.769424  0.421606  1
  Fe  Fe81  1  0.722609  0.982572  0.469990  1
  Fe  Fe82  1  0.673186  0.346832  0.431431  1
  Fe  Fe83  1  0.042070  0.568212  0.477560  1
  Fe  Fe84  1  0.992591  0.932217  0.439030  1
  Fe  Fe85  1  0.916748  0.274228  0.472541  1
  Fe  Fe86  1  0.867134  0.638339  0.433991  1
  Fe  Fe87  1  0.879578  0.046818  0.499362  1
  Fe  Fe88  1  0.829922  0.411052  0.460801  1
  Fe  Fe89  1  0.791493  0.196672  0.430656  1
  Fe  Fe90  1  0.841032  0.832089  0.469200  1
  Fe  Fe91  1  0.878316  0.059711  0.442411  1
  Fe  Fe92  1  0.927857  0.695287  0.480880  1
  Fe  Fe93  1  0.665919  0.902297  0.425703  1
  Fe  Fe94  1  0.715550  0.538054  0.464170  1
  Fe  Fe95  1  0.035373  0.123959  0.471760  1
  Fe  Fe96  1  0.985695  0.488207  0.433135  1
  Fe  Fe97  1  0.593385  0.065720  0.442968  1
  Fe  Fe98  1  0.642729  0.701027  0.481593  1
  Fe  Fe99  1  0.590084  0.587237  0.440852  1
  Fe  Fe100  1  0.639686  0.223079  0.479395  1
  Fe  Fe101  1  0.247210  0.800375  0.489236  1
  Fe  Fe102  1  0.197721  0.164746  0.450669  1
  Fe  Fe103  1  0.517242  0.750362  0.458243  1
  Fe  Fe104  1  0.566881  0.386123  0.496779  1
  Fe  Fe105  1  0.391881  0.456329  0.453237  1
  Fe  Fe106  1  0.441500  0.092081  0.491742  1
  Fe  Fe107  1  0.305039  0.593299  0.441495  1
  Fe  Fe108  1  0.354696  0.228977  0.480050  1
  Fe  Fe109  1  0.365737  0.650223  0.488407  1
  Fe  Fe110  1  0.316305  0.014338  0.449890  1
  Fe  Fe111  1  0.402989  0.877562  0.461609  1
  Fe  Fe112  1  0.353386  0.241614  0.423034  1
  Fe  Fe113  1  0.240430  0.356180  0.483411  1
  Fe  Fe114  1  0.190900  0.720366  0.444805  1
  Fe  Fe115  1  0.559858  0.941718  0.490968  1
  Fe  Fe116  1  0.510264  0.305945  0.452417  1
  Fe  Fe117  1  0.068644  0.248130  0.423701  1
  Fe  Fe118  1  0.118024  0.883281  0.462281  1
  Fe  Fe119  1  0.114909  0.405241  0.460147  1
  Fe  Fe120  1  0.164450  0.040799  0.498698  1
  Fe  Fe121  1  0.821772  0.254052  0.547064  1
  Fe  Fe122  1  0.772179  0.618280  0.508513  1
  Fe  Fe123  1  0.141137  0.839632  0.554676  1
  Fe  Fe124  1  0.091607  0.203818  0.516070  1
  Fe  Fe125  1  0.015731  0.545660  0.549591  1
  Fe  Fe126  1  0.966299  0.909774  0.511074  1
  Fe  Fe127  1  0.978651  0.318384  0.576447  1
  Fe  Fe128  1  0.929047  0.682436  0.537872  1
  Fe  Fe129  1  0.890536  0.467917  0.507739  1
  Fe  Fe130  1  0.940155  0.103669  0.546244  1
  Fe  Fe131  1  0.977340  0.331021  0.519430  1
  Fe  Fe132  1  0.026997  0.966698  0.557986  1
  Fe  Fe133  1  0.765155  0.173874  0.502701  1
  Fe  Fe134  1  0.814795  0.809635  0.541237  1
  Fe  Fe135  1  0.134315  0.395252  0.548812  1
  Fe  Fe136  1  0.084826  0.759623  0.510245  1
  Fe  Fe137  1  0.692350  0.336919  0.520086  1
  Fe  Fe138  1  0.741953  0.972760  0.558628  1
  Fe  Fe139  1  0.689308  0.858970  0.517888  1
  Fe  Fe140  1  0.738651  0.494278  0.556513  1
  Fe  Fe141  1  0.346342  0.071791  0.566346  1
  Fe  Fe142  1  0.296664  0.436038  0.527721  1
  Fe  Fe143  1  0.616487  0.021943  0.535311  1
  Fe  Fe144  1  0.666117  0.657701  0.573778  1
  Fe  Fe145  1  0.491005  0.727908  0.530280  1
  Fe  Fe146  1  0.540544  0.363325  0.568825  1
  Fe  Fe147  1  0.404180  0.864710  0.518600  1
  Fe  Fe148  1  0.453721  0.500286  0.557070  1
  Fe  Fe149  1  0.464902  0.921659  0.565490  1
  Fe  Fe150  1  0.415289  0.285769  0.526939  1
  Fe  Fe151  1  0.502115  0.148946  0.538680  1
  Fe  Fe152  1  0.452459  0.513180  0.500119  1
  Fe  Fe153  1  0.339446  0.627780  0.560451  1
  Fe  Fe154  1  0.289967  0.991785  0.521921  1
  Fe  Fe155  1  0.658850  0.213166  0.568050  1
  Fe  Fe156  1  0.609428  0.577426  0.529491  1
  Fe  Fe157  1  0.167587  0.519198  0.500783  1
  Fe  Fe158  1  0.217128  0.154756  0.539333  1
  Fe  Fe159  1  0.214013  0.676717  0.537200  1
  Fe  Fe160  1  0.263393  0.311868  0.575780  1
  Fe  Fe161  1  0.920752  0.525204  0.624228  1
  Fe  Fe162  1  0.871301  0.889752  0.585546  1
  Fe  Fe163  1  0.240302  0.111185  0.631933  1
  Fe  Fe164  1  0.190391  0.474571  0.593027  1
  Fe  Fe165  1  0.114604  0.816804  0.626696  1
  Fe  Fe166  1  0.065527  0.180486  0.588147  1
  Fe  Fe167  1  0.077397  0.589555  0.653730  1
  Fe  Fe168  1  0.028210  0.953552  0.614932  1
  Fe  Fe169  1  0.989521  0.739172  0.584830  1
  Fe  Fe170  1  0.039080  0.375058  0.623358  1
  Fe  Fe171  1  0.076287  0.602174  0.596496  1
  Fe  Fe172  1  0.125746  0.237609  0.635007  1
  Fe  Fe173  1  0.864039  0.445055  0.579780  1
  Fe  Fe174  1  0.913842  0.081036  0.618300  1
  Fe  Fe175  1  0.233498  0.666436  0.625849  1
  Fe  Fe176  1  0.184029  0.030928  0.587294  1
  Fe  Fe177  1  0.791346  0.608256  0.597147  1
  Fe  Fe178  1  0.840733  0.244687  0.635760  1
  Fe  Fe179  1  0.788542  0.130495  0.594942  1
  Fe  Fe180  1  0.837670  0.766012  0.633384  1
  Fe  Fe181  1  0.445177  0.343540  0.643405  1
  Fe  Fe182  1  0.395387  0.707393  0.604648  1
  Fe  Fe183  1  0.715280  0.293322  0.612508  1
  Fe  Fe184  1  0.765055  0.929523  0.650935  1
  Fe  Fe185  1  0.590414  1.000160  0.607349  1
  Fe  Fe186  1  0.639103  0.635303  0.645774  1
  Fe  Fe187  1  0.503366  0.136604  0.595750  1
  Fe  Fe188  1  0.552771  0.771896  0.633918  1
  Fe  Fe189  1  0.563714  0.193996  0.642978  1
  Fe  Fe190  1  0.514575  0.557226  0.603806  1
  Fe  Fe191  1  0.600977  0.420545  0.615731  1
  Fe  Fe192  1  0.551611  0.784736  0.577153  1
  Fe  Fe193  1  0.439206  0.900989  0.637547  1
  Fe  Fe194  1  0.389127  0.262845  0.598969  1
  Fe  Fe195  1  0.757435  0.484678  0.645119  1
  Fe  Fe196  1  0.708720  0.849235  0.606545  1
  Fe  Fe197  1  0.266681  0.790574  0.577874  1
  Fe  Fe198  1  0.316030  0.425687  0.616297  1
  Fe  Fe199  1  0.313332  0.948752  0.614212  1
  Fe  Fe200  1  0.361921  0.582777  0.652769  1
  Fe  Fe201  1  0.020274  0.796928  0.701471  1
  Fe  Fe202  1  0.969635  0.160252  0.662522  1
  Fe  Fe203  1  0.335277  0.380456  0.709533  1
  Fe  Fe204  1  0.289672  0.745217  0.669814  1
  Fe  Fe205  1  0.209035  0.078101  0.703751  1
  Fe  Fe206  1  0.163989  0.451259  0.665059  1
  Fe  Fe207  1  0.175580  0.853980  0.730670  1
  Fe  Fe208  1  0.127665  0.223879  0.691525  1
  Fe  Fe209  1  0.088502  0.010094  0.661758  1
  Fe  Fe210  1  0.138576  0.646253  0.700165  1
  Fe  Fe211  1  0.174748  0.872646  0.673428  1
  Fe  Fe212  1  0.226184  0.508198  0.712419  1
  Fe  Fe213  1  0.962469  0.714949  0.656866  1
  Fe  Fe214  1  0.013940  0.352473  0.695400  1
  Fe  Fe215  1  0.335730  0.938143  0.702696  1
  Fe  Fe216  1  0.284376  0.302563  0.664438  1
  Fe  Fe217  1  0.889527  0.879218  0.674169  1
  Fe  Fe218  1  0.934239  0.514925  0.712823  1
  Fe  Fe219  1  0.887563  0.401660  0.672016  1
  Fe  Fe220  1  0.937968  0.041080  0.710013  1
  Fe  Fe221  1  0.546385  0.618261  0.720748  1
  Fe  Fe222  1  0.494315  0.979257  0.681337  1
  Fe  Fe223  1  0.814865  0.566593  0.689371  1
  Fe  Fe224  1  0.869320  0.206800  0.727997  1
  Fe  Fe225  1  0.691047  0.274391  0.684644  1
  Fe  Fe226  1  0.734827  0.901597  0.722838  1
  Fe  Fe227  1  0.601964  0.409103  0.673001  1
  Fe  Fe228  1  0.651546  0.044690  0.710845  1
  Fe  Fe229  1  0.659858  0.465881  0.719990  1
  Fe  Fe230  1  0.613703  0.829013  0.680794  1
  Fe  Fe231  1  0.698260  0.690970  0.692540  1
  Fe  Fe232  1  0.650716  0.056454  0.654200  1
  Fe  Fe233  1  0.538107  0.170216  0.715131  1
  Fe  Fe234  1  0.486795  0.536176  0.675852  1
  Fe  Fe235  1  0.858352  0.764043  0.723031  1
  Fe  Fe236  1  0.807480  0.120318  0.683465  1
  Fe  Fe237  1  0.366733  0.062517  0.655118  1
  Fe  Fe238  1  0.416011  0.695838  0.693095  1
  Fe  Fe239  1  0.413492  0.221487  0.691961  1
  Fe  Fe240  1  0.453911  0.841707  0.730343  1
  C  C241  1  0.768040  0.747468  0.283333  1
  C  C242  1  0.815736  0.382303  0.320937  1
  C  C243  1  0.523342  0.285205  0.296215  1
  C  C244  1  0.573952  0.920423  0.334845  1
  C  C245  1  0.544870  0.636222  0.311936  1
  C  C246  1  0.496880  0.995166  0.273335  1
  C  C247  1  0.837488  0.735367  0.337491  1
  C  C248  1  0.790207  0.098458  0.298777  1
  C  C249  1  0.341689  0.202647  0.340639  1
  C  C250  1  0.294310  0.568796  0.302387  1
  C  C251  1  0.049246  0.104570  0.315498  1
  C  C252  1  0.001269  0.472665  0.277047  1
  C  C253  1  0.019086  0.820521  0.293141  1
  C  C254  1  0.068613  0.454530  0.330984  1
  C  C255  1  0.261047  0.282137  0.279738  1
  C  C256  1  0.313737  0.918642  0.317707  1
  C  C257  1  0.867226  0.020427  0.360290  1
  C  C258  1  0.916071  0.655610  0.398540  1
  C  C259  1  0.622932  0.556383  0.373313  1
  C  C260  1  0.672734  0.192624  0.411736  1
  C  C261  1  0.643301  0.907245  0.389104  1
  C  C262  1  0.594033  0.271278  0.350367  1
  C  C263  1  0.936737  0.006957  0.414380  1
  C  C264  1  0.886897  0.370674  0.375646  1
  C  C265  1  0.440759  0.473776  0.417776  1
  C  C266  1  0.391719  0.838699  0.379203  1
  C  C267  1  0.147436  0.374941  0.392437  1
  C  C268  1  0.098044  0.738819  0.354095  1
  C  C269  1  0.118771  0.090287  0.369871  1
  C  C270  1  0.168126  0.725568  0.408218  1
  C  C271  1  0.362606  0.554102  0.356536  1
  C  C272  1  0.411806  0.188940  0.394987  1
  C  C273  1  0.965804  0.291864  0.437090  1
  C  C274  1  0.015413  0.927509  0.475624  1
  C  C275  1  0.722083  0.828055  0.450374  1
  C  C276  1  0.771708  0.463914  0.488863  1
  C  C277  1  0.742398  0.178882  0.466110  1
  C  C278  1  0.692794  0.543010  0.427577  1
  C  C279  1  0.035686  0.278284  0.491379  1
  C  C280  1  0.986053  0.642346  0.452826  1
  C  C281  1  0.540053  0.745390  0.494833  1
  C  C282  1  0.490638  0.109762  0.456294  1
  C  C283  1  0.246844  0.646198  0.469555  1
  C  C284  1  0.197377  0.010345  0.431064  1
  C  C285  1  0.217646  0.361182  0.446822  1
  C  C286  1  0.267153  0.996782  0.485332  1
  C  C287  1  0.461249  0.824742  0.433552  1
  C  C288  1  0.510760  0.460290  0.472080  1
  C  C289  1  0.064884  0.563216  0.514149  1
  C  C290  1  0.114391  0.198815  0.552658  1
  C  C291  1  0.821277  0.099708  0.527401  1
  C  C292  1  0.870787  0.735256  0.565929  1
  C  C293  1  0.841399  0.450236  0.543187  1
  C  C294  1  0.791983  0.814607  0.504648  1
  C  C295  1  0.134660  0.549653  0.568417  1
  C  C296  1  0.085193  0.913799  0.529925  1
  C  C297  1  0.639242  0.016988  0.571904  1
  C  C298  1  0.589639  0.381115  0.533371  1
  C  C299  1  0.345983  0.917652  0.546655  1
  C  C300  1  0.296351  0.281714  0.508102  1
  C  C301  1  0.316624  0.632488  0.523857  1
  C  C302  1  0.366233  0.268134  0.562391  1
  C  C303  1  0.560329  0.096083  0.510618  1
  C  C304  1  0.609954  0.731942  0.549107  1
  C  C305  1  0.163910  0.834429  0.591263  1
  C  C306  1  0.213265  0.469711  0.629610  1
  C  C307  1  0.920230  0.371057  0.604494  1
  C  C308  1  0.969430  0.005896  0.642945  1
  C  C309  1  0.940317  0.721299  0.620278  1
  C  C310  1  0.891278  0.086222  0.581705  1
  C  C311  1  0.233993  0.821178  0.645385  1
  C  C312  1  0.184601  0.185056  0.607043  1
  C  C313  1  0.738004  0.288720  0.649114  1
  C  C314  1  0.688736  0.652752  0.610377  1
  C  C315  1  0.445139  0.189324  0.623835  1
  C  C316  1  0.395299  0.553040  0.585101  1
  C  C317  1  0.415965  0.904388  0.600941  1
  C  C318  1  0.464811  0.539571  0.639191  1
  C  C319  1  0.659303  0.367374  0.587744  1
  C  C320  1  0.709105  0.003614  0.626168  1
  C  C321  1  0.263424  0.105468  0.668497  1
  C  C322  1  0.312950  0.739476  0.706339  1
  C  C323  1  0.018299  0.641355  0.681774  1
  C  C324  1  0.070989  0.277861  0.719743  1
  C  C325  1  0.037726  0.991202  0.697093  1
  C  C326  1  0.990348  0.357351  0.658841  1
  C  C327  1  0.330767  0.087333  0.722433  1
  C  C328  1  0.282791  0.455427  0.683982  1
  C  C329  1  0.835157  0.564831  0.726146  1
  C  C330  1  0.787166  0.923775  0.687545  1
  C  C331  1  0.541830  0.461540  0.700704  1
  C  C332  1  0.494549  0.824630  0.661990  1
  C  C333  1  0.516301  0.177695  0.678544  1
  C  C334  1  0.563997  0.812530  0.716148  1
  C  C335  1  0.758084  0.639575  0.664636  1
  C  C336  1  0.808695  0.274793  0.703266  1
