# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.23847292
_cell_length_b   8.90200069
_cell_length_c   49.95365410
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.24060289
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe200 C80'
_cell_volume   4979.30041186
_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  0.931643  0.706746  0.275913  1
  Fe  Fe2  1  0.590643  0.419649  0.324349  1
  Fe  Fe3  1  0.431643  0.706746  0.275913  1
  Fe  Fe4  1  0.090643  0.419649  0.324349  1
  Fe  Fe5  1  0.621739  0.804624  0.357766  1
  Fe  Fe6  1  0.972716  0.125105  0.312692  1
  Fe  Fe7  1  0.121739  0.804624  0.357766  1
  Fe  Fe8  1  0.472716  0.125105  0.312692  1
  Fe  Fe9  1  0.477435  0.536327  0.342022  1
  Fe  Fe10  1  0.829540  0.852598  0.295716  1
  Fe  Fe11  1  0.977435  0.536327  0.342022  1
  Fe  Fe12  1  0.329540  0.852598  0.295716  1
  Fe  Fe13  1  0.268757  0.446167  0.354746  1
  Fe  Fe14  1  0.620251  0.766689  0.308790  1
  Fe  Fe15  1  0.768757  0.446167  0.354746  1
  Fe  Fe16  1  0.120251  0.766689  0.308790  1
  Fe  Fe17  1  0.290837  0.101789  0.281697  1
  Fe  Fe18  1  0.943083  0.779378  0.327481  1
  Fe  Fe19  1  0.790837  0.101789  0.281697  1
  Fe  Fe20  1  0.443083  0.779378  0.327481  1
  Fe  Fe21  1  0.436350  0.212435  0.353926  1
  Fe  Fe22  1  0.788000  0.532943  0.308437  1
  Fe  Fe23  1  0.936350  0.212435  0.353926  1
  Fe  Fe24  1  0.288000  0.532943  0.308437  1
  Fe  Fe25  1  0.187881  0.202966  0.328679  1
  Fe  Fe26  1  0.539243  0.521106  0.282919  1
  Fe  Fe27  1  0.687881  0.202966  0.328679  1
  Fe  Fe28  1  0.039243  0.521106  0.282919  1
  Fe  Fe29  1  0.122286  0.329998  0.281426  1
  Fe  Fe30  1  0.774631  0.011844  0.328151  1
  Fe  Fe31  1  0.622286  0.329998  0.281426  1
  Fe  Fe32  1  0.274631  0.011844  0.328151  1
  Fe  Fe33  1  0.085254  0.004355  0.295116  1
  Fe  Fe34  1  0.734413  0.687618  0.340483  1
  Fe  Fe35  1  0.585254  0.004355  0.295116  1
  Fe  Fe36  1  0.234413  0.687618  0.340483  1
  Fe  Fe37  1  0.371159  0.342002  0.308723  1
  Fe  Fe38  1  0.022178  0.023061  0.353912  1
  Fe  Fe39  1  0.871159  0.342002  0.308723  1
  Fe  Fe40  1  0.522178  0.023061  0.353912  1
  Fe  Fe41  1  0.238797  0.101759  0.370018  1
  Fe  Fe42  1  0.887457  0.782202  0.415335  1
  Fe  Fe43  1  0.738797  0.101759  0.370018  1
  Fe  Fe44  1  0.387457  0.782202  0.415335  1
  Fe  Fe45  1  0.919534  0.166536  0.448508  1
  Fe  Fe46  1  0.270531  0.485755  0.403115  1
  Fe  Fe47  1  0.419534  0.166536  0.448508  1
  Fe  Fe48  1  0.770531  0.485755  0.403115  1
  Fe  Fe49  1  0.774160  0.898645  0.432578  1
  Fe  Fe50  1  0.125350  0.217491  0.387255  1
  Fe  Fe51  1  0.274160  0.898645  0.432578  1
  Fe  Fe52  1  0.625350  0.217491  0.387255  1
  Fe  Fe53  1  0.566367  0.807864  0.445428  1
  Fe  Fe54  1  0.917498  0.126937  0.400066  1
  Fe  Fe55  1  0.066367  0.807864  0.445428  1
  Fe  Fe56  1  0.417498  0.126937  0.400066  1
  Fe  Fe57  1  0.591722  0.460309  0.373089  1
  Fe  Fe58  1  0.240628  0.141082  0.418433  1
  Fe  Fe59  1  0.091722  0.460309  0.373089  1
  Fe  Fe60  1  0.740628  0.141082  0.418433  1
  Fe  Fe61  1  0.734278  0.574721  0.444834  1
  Fe  Fe62  1  0.085474  0.894065  0.399428  1
  Fe  Fe63  1  0.234278  0.574721  0.444834  1
  Fe  Fe64  1  0.585474  0.894065  0.399428  1
  Fe  Fe65  1  0.486203  0.564287  0.419167  1
  Fe  Fe66  1  0.837324  0.883340  0.373673  1
  Fe  Fe67  1  0.986203  0.564287  0.419167  1
  Fe  Fe68  1  0.337324  0.883340  0.373673  1
  Fe  Fe69  1  0.423871  0.693235  0.373628  1
  Fe  Fe70  1  0.072722  0.374197  0.419060  1
  Fe  Fe71  1  0.923871  0.693235  0.373628  1
  Fe  Fe72  1  0.572722  0.374197  0.419060  1
  Fe  Fe73  1  0.384116  0.369475  0.385920  1
  Fe  Fe74  1  0.032929  0.050318  0.431282  1
  Fe  Fe75  1  0.884116  0.369475  0.385920  1
  Fe  Fe76  1  0.532929  0.050318  0.431282  1
  Fe  Fe77  1  0.672160  0.703748  0.399389  1
  Fe  Fe78  1  0.320791  0.384644  0.444745  1
  Fe  Fe79  1  0.172160  0.703748  0.399389  1
  Fe  Fe80  1  0.820791  0.384644  0.444745  1
  Fe  Fe81  1  0.536372  0.463245  0.460748  1
  Fe  Fe82  1  0.185224  0.144015  0.506124  1
  Fe  Fe83  1  0.036372  0.463245  0.460748  1
  Fe  Fe84  1  0.685224  0.144015  0.506124  1
  Fe  Fe85  1  0.217203  0.528161  0.539252  1
  Fe  Fe86  1  0.568352  0.847390  0.493876  1
  Fe  Fe87  1  0.717203  0.528161  0.539252  1
  Fe  Fe88  1  0.068352  0.847390  0.493876  1
  Fe  Fe89  1  0.071840  0.260265  0.523328  1
  Fe  Fe90  1  0.422954  0.579450  0.477950  1
  Fe  Fe91  1  0.571840  0.260265  0.523328  1
  Fe  Fe92  1  0.922954  0.579450  0.477950  1
  Fe  Fe93  1  0.864067  0.169490  0.536189  1
  Fe  Fe94  1  0.215220  0.488660  0.490811  1
  Fe  Fe95  1  0.364067  0.169490  0.536189  1
  Fe  Fe96  1  0.715220  0.488660  0.490811  1
  Fe  Fe97  1  0.889509  0.821915  0.463811  1
  Fe  Fe98  1  0.538356  0.502745  0.509189  1
  Fe  Fe99  1  0.389509  0.821915  0.463811  1
  Fe  Fe100  1  0.038356  0.502745  0.509189  1
  Fe  Fe101  1  0.031981  0.936373  0.535571  1
  Fe  Fe102  1  0.383128  0.255521  0.490198  1
  Fe  Fe103  1  0.531981  0.936373  0.535571  1
  Fe  Fe104  1  0.883128  0.255521  0.490198  1
  Fe  Fe105  1  0.783944  0.925969  0.509885  1
  Fe  Fe106  1  0.135112  0.245156  0.464508  1
  Fe  Fe107  1  0.283944  0.925969  0.509885  1
  Fe  Fe108  1  0.635112  0.245156  0.464508  1
  Fe  Fe109  1  0.721595  0.055032  0.464429  1
  Fe  Fe110  1  0.370447  0.735884  0.509802  1
  Fe  Fe111  1  0.221595  0.055032  0.464429  1
  Fe  Fe112  1  0.870447  0.735884  0.509802  1
  Fe  Fe113  1  0.681735  0.731140  0.476672  1
  Fe  Fe114  1  0.330622  0.411955  0.522050  1
  Fe  Fe115  1  0.181735  0.731140  0.476672  1
  Fe  Fe116  1  0.830622  0.411955  0.522050  1
  Fe  Fe117  1  0.969632  0.065437  0.490115  1
  Fe  Fe118  1  0.618464  0.746249  0.535492  1
  Fe  Fe119  1  0.469632  0.065437  0.490115  1
  Fe  Fe120  1  0.118464  0.746249  0.535492  1
  Fe  Fe121  1  0.834041  0.824869  0.551492  1
  Fe  Fe122  1  0.483044  0.505650  0.596885  1
  Fe  Fe123  1  0.334041  0.824869  0.551492  1
  Fe  Fe124  1  0.983044  0.505650  0.596885  1
  Fe  Fe125  1  0.514778  0.889647  0.629982  1
  Fe  Fe126  1  0.866119  0.209204  0.584665  1
  Fe  Fe127  1  0.014778  0.889647  0.629982  1
  Fe  Fe128  1  0.366119  0.209204  0.584665  1
  Fe  Fe129  1  0.369460  0.621931  0.614080  1
  Fe  Fe130  1  0.720647  0.941087  0.568718  1
  Fe  Fe131  1  0.869460  0.621931  0.614080  1
  Fe  Fe132  1  0.220647  0.941087  0.568718  1
  Fe  Fe133  1  0.161853  0.531096  0.626911  1
  Fe  Fe134  1  0.512948  0.850323  0.581567  1
  Fe  Fe135  1  0.661853  0.531096  0.626911  1
  Fe  Fe136  1  0.012948  0.850323  0.581567  1
  Fe  Fe137  1  0.187208  0.183541  0.554572  1
  Fe  Fe138  1  0.836077  0.864469  0.599934  1
  Fe  Fe139  1  0.687208  0.183541  0.554572  1
  Fe  Fe140  1  0.336077  0.864469  0.599934  1
  Fe  Fe141  1  0.329705  0.298170  0.626372  1
  Fe  Fe142  1  0.680853  0.617209  0.580940  1
  Fe  Fe143  1  0.829705  0.298170  0.626372  1
  Fe  Fe144  1  0.180853  0.617209  0.580940  1
  Fe  Fe145  1  0.081415  0.287658  0.600611  1
  Fe  Fe146  1  0.432784  0.606762  0.555255  1
  Fe  Fe147  1  0.581415  0.287658  0.600611  1
  Fe  Fe148  1  0.932784  0.606762  0.555255  1
  Fe  Fe149  1  0.019297  0.416684  0.555166  1
  Fe  Fe150  1  0.668102  0.097341  0.600572  1
  Fe  Fe151  1  0.519297  0.416684  0.555166  1
  Fe  Fe152  1  0.168102  0.097341  0.600572  1
  Fe  Fe153  1  0.979415  0.092760  0.567422  1
  Fe  Fe154  1  0.628226  0.773915  0.612745  1
  Fe  Fe155  1  0.479415  0.092760  0.567422  1
  Fe  Fe156  1  0.128226  0.773915  0.612745  1
  Fe  Fe157  1  0.267373  0.427118  0.580833  1
  Fe  Fe158  1  0.916251  0.108066  0.626327  1
  Fe  Fe159  1  0.767373  0.427118  0.580833  1
  Fe  Fe160  1  0.416251  0.108066  0.626327  1
  Fe  Fe161  1  0.131836  0.186781  0.642234  1
  Fe  Fe162  1  0.780859  0.866300  0.687308  1
  Fe  Fe163  1  0.631836  0.186781  0.642234  1
  Fe  Fe164  1  0.280859  0.866300  0.687308  1
  Fe  Fe165  1  0.821933  0.284660  0.724087  1
  Fe  Fe166  1  0.162932  0.571756  0.675651  1
  Fe  Fe167  1  0.321933  0.284660  0.724087  1
  Fe  Fe168  1  0.662932  0.571756  0.675651  1
  Fe  Fe169  1  0.668321  0.987050  0.704884  1
  Fe  Fe170  1  0.019162  0.303788  0.659517  1
  Fe  Fe171  1  0.168321  0.987050  0.704884  1
  Fe  Fe172  1  0.519162  0.303788  0.659517  1
  Fe  Fe173  1  0.462738  0.889616  0.718303  1
  Fe  Fe174  1  0.810493  0.212028  0.672519  1
  Fe  Fe175  1  0.962738  0.889616  0.718303  1
  Fe  Fe176  1  0.310493  0.212028  0.672519  1
  Fe  Fe177  1  0.484818  0.545238  0.645254  1
  Fe  Fe178  1  0.133325  0.224716  0.691210  1
  Fe  Fe179  1  0.984818  0.545238  0.645254  1
  Fe  Fe180  1  0.633325  0.224716  0.691210  1
  Fe  Fe181  1  0.631290  0.661408  0.718574  1
  Fe  Fe182  1  0.978945  0.979561  0.671849  1
  Fe  Fe183  1  0.131290  0.661408  0.718574  1
  Fe  Fe184  1  0.478945  0.979561  0.671849  1
  Fe  Fe185  1  0.382416  0.649403  0.691277  1
  Fe  Fe186  1  0.731397  0.968345  0.646088  1
  Fe  Fe187  1  0.882416  0.649403  0.691277  1
  Fe  Fe188  1  0.231397  0.968345  0.646088  1
  Fe  Fe189  1  0.317225  0.778970  0.646074  1
  Fe  Fe190  1  0.965575  0.458463  0.691563  1
  Fe  Fe191  1  0.817225  0.778970  0.646074  1
  Fe  Fe192  1  0.465575  0.458463  0.691563  1
  Fe  Fe193  1  0.276141  0.455078  0.657978  1
  Fe  Fe194  1  0.924035  0.138807  0.704284  1
  Fe  Fe195  1  0.776141  0.455078  0.657978  1
  Fe  Fe196  1  0.424035  0.138807  0.704284  1
  Fe  Fe197  1  0.565695  0.788440  0.671321  1
  Fe  Fe198  1  0.214333  0.470299  0.717081  1
  Fe  Fe199  1  0.065695  0.788440  0.671321  1
  Fe  Fe200  1  0.714333  0.470299  0.717081  1
  C  C201  1  0.336542  0.305463  0.347764  1
  C  C202  1  0.687356  0.624531  0.302231  1
  C  C203  1  0.836542  0.305463  0.347764  1
  C  C204  1  0.187356  0.624531  0.302231  1
  C  C205  1  0.111753  0.949267  0.330640  1
  C  C206  1  0.459856  0.267245  0.285594  1
  C  C207  1  0.611753  0.949267  0.330640  1
  C  C208  1  0.959856  0.267245  0.285594  1
  C  C209  1  0.451275  0.596280  0.306831  1
  C  C210  1  0.099821  0.277087  0.351971  1
  C  C211  1  0.951275  0.596280  0.306831  1
  C  C212  1  0.599821  0.277087  0.351971  1
  C  C213  1  0.222133  0.239924  0.289809  1
  C  C214  1  0.874408  0.918887  0.334422  1
  C  C215  1  0.722133  0.239924  0.289809  1
  C  C216  1  0.374408  0.918887  0.334422  1
  C  C217  1  0.634192  0.667125  0.438532  1
  C  C218  1  0.985156  0.986048  0.393103  1
  C  C219  1  0.134192  0.667125  0.438532  1
  C  C220  1  0.485156  0.986048  0.393103  1
  C  C221  1  0.409498  0.310486  0.421264  1
  C  C222  1  0.760655  0.629556  0.375815  1
  C  C223  1  0.909498  0.310486  0.421264  1
  C  C224  1  0.260655  0.629556  0.375815  1
  C  C225  1  0.748640  0.957492  0.397236  1
  C  C226  1  0.397495  0.638436  0.442612  1
  C  C227  1  0.248640  0.957492  0.397236  1
  C  C228  1  0.897495  0.638436  0.442612  1
  C  C229  1  0.524065  0.601182  0.380073  1
  C  C230  1  0.172879  0.281901  0.425351  1
  C  C231  1  0.024065  0.601182  0.380073  1
  C  C232  1  0.672879  0.281901  0.425351  1
  C  C233  1  0.931869  0.028741  0.529275  1
  C  C234  1  0.283019  0.347897  0.483905  1
  C  C235  1  0.431869  0.028741  0.529275  1
  C  C236  1  0.783019  0.347897  0.483905  1
  C  C237  1  0.707226  0.672171  0.512008  1
  C  C238  1  0.058378  0.991354  0.466624  1
  C  C239  1  0.207226  0.672171  0.512008  1
  C  C240  1  0.558378  0.991354  0.466624  1
  C  C241  1  0.046349  0.319234  0.487992  1
  C  C242  1  0.695197  0.000051  0.533376  1
  C  C243  1  0.546349  0.319234  0.487992  1
  C  C244  1  0.195197  0.000051  0.533376  1
  C  C245  1  0.821706  0.962664  0.470725  1
  C  C246  1  0.470557  0.643509  0.516095  1
  C  C247  1  0.321706  0.962664  0.470725  1
  C  C248  1  0.970557  0.643509  0.516095  1
  C  C249  1  0.229510  0.390224  0.619927  1
  C  C250  1  0.580696  0.709504  0.574649  1
  C  C251  1  0.729510  0.390224  0.619927  1
  C  C252  1  0.080696  0.709504  0.574649  1
  C  C253  1  0.004936  0.033913  0.602764  1
  C  C254  1  0.356080  0.352970  0.557388  1
  C  C255  1  0.504936  0.033913  0.602764  1
  C  C256  1  0.856080  0.352970  0.557388  1
  C  C257  1  0.344078  0.680919  0.578736  1
  C  C258  1  0.992921  0.361850  0.624185  1
  C  C259  1  0.844078  0.680919  0.578736  1
  C  C260  1  0.492921  0.361850  0.624185  1
  C  C261  1  0.119383  0.324280  0.561468  1
  C  C262  1  0.768419  0.005358  0.606897  1
  C  C263  1  0.619383  0.324280  0.561468  1
  C  C264  1  0.268419  0.005358  0.606897  1
  C  C265  1  0.531442  0.751482  0.710191  1
  C  C266  1  0.879168  0.072519  0.665578  1
  C  C267  1  0.031442  0.751482  0.710191  1
  C  C268  1  0.379168  0.072519  0.665578  1
  C  C269  1  0.302300  0.395125  0.693169  1
  C  C270  1  0.653754  0.714318  0.648029  1
  C  C271  1  0.802300  0.395125  0.693169  1
  C  C272  1  0.153754  0.714318  0.648029  1
  C  C273  1  0.641823  0.042138  0.669360  1
  C  C274  1  0.293719  0.724161  0.714406  1
  C  C275  1  0.141823  0.042138  0.669360  1
  C  C276  1  0.793719  0.724161  0.714406  1
  C  C277  1  0.417033  0.685942  0.652236  1
  C  C278  1  0.066220  0.366874  0.697769  1
  C  C279  1  0.917033  0.685942  0.652236  1
  C  C280  1  0.566220  0.366874  0.697769  1
