# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79802968
_cell_length_b   23.09044699
_cell_length_c   48.87256255
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe200 C80'
_cell_volume   5414.52523022
_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  0.581435  0.846999  0.349011  1
  Fe  Fe2  1  0.558240  0.305998  0.307355  1
  Fe  Fe3  1  0.080149  0.675873  0.332131  1
  Fe  Fe4  1  0.063800  0.128399  0.290235  1
  Fe  Fe5  1  0.395710  0.750049  0.345985  1
  Fe  Fe6  1  0.385965  0.205265  0.304124  1
  Fe  Fe7  1  0.899515  0.773937  0.335337  1
  Fe  Fe8  1  0.873784  0.229870  0.293220  1
  Fe  Fe9  1  0.124959  0.729870  0.293220  1
  Fe  Fe10  1  0.099227  0.273937  0.335337  1
  Fe  Fe11  1  0.612777  0.705265  0.304124  1
  Fe  Fe12  1  0.603032  0.250049  0.345985  1
  Fe  Fe13  1  0.440502  0.805998  0.307355  1
  Fe  Fe14  1  0.417307  0.346999  0.349011  1
  Fe  Fe15  1  0.934942  0.628399  0.290235  1
  Fe  Fe16  1  0.918593  0.175873  0.332131  1
  Fe  Fe17  1  0.027508  0.897852  0.350959  1
  Fe  Fe18  1  0.021613  0.353225  0.308719  1
  Fe  Fe19  1  0.977129  0.853225  0.308719  1
  Fe  Fe20  1  0.971234  0.397852  0.350959  1
  Fe  Fe21  1  0.071905  0.576283  0.328061  1
  Fe  Fe22  1  0.074615  0.120070  0.369529  1
  Fe  Fe23  1  0.577174  0.404386  0.310224  1
  Fe  Fe24  1  0.570095  0.946059  0.352991  1
  Fe  Fe25  1  0.900844  0.478003  0.325049  1
  Fe  Fe26  1  0.886104  0.021711  0.366646  1
  Fe  Fe27  1  0.388387  0.501296  0.314322  1
  Fe  Fe28  1  0.391165  0.045946  0.355638  1
  Fe  Fe29  1  0.607577  0.545946  0.355638  1
  Fe  Fe30  1  0.610355  1.001296  0.314322  1
  Fe  Fe31  1  0.112638  0.521711  0.366646  1
  Fe  Fe32  1  0.097898  0.978003  0.325049  1
  Fe  Fe33  1  0.924128  0.620070  0.369529  1
  Fe  Fe34  1  0.926837  0.076283  0.328061  1
  Fe  Fe35  1  0.428648  0.446059  0.352991  1
  Fe  Fe36  1  0.421568  0.904386  0.310224  1
  Fe  Fe37  1  0.531772  0.625352  0.330327  1
  Fe  Fe38  1  0.510805  0.082940  0.287775  1
  Fe  Fe39  1  0.487937  0.582940  0.287775  1
  Fe  Fe40  1  0.466970  0.125352  0.330327  1
  Fe  Fe41  1  0.578286  0.936846  0.432222  1
  Fe  Fe42  1  0.569242  0.393419  0.390430  1
  Fe  Fe43  1  0.078799  0.764695  0.415264  1
  Fe  Fe44  1  0.069951  0.219193  0.373668  1
  Fe  Fe45  1  0.394482  0.838602  0.429281  1
  Fe  Fe46  1  0.386805  0.294061  0.387613  1
  Fe  Fe47  1  0.894517  0.862818  0.418390  1
  Fe  Fe48  1  0.885214  0.318552  0.376127  1
  Fe  Fe49  1  0.113528  0.818552  0.376127  1
  Fe  Fe50  1  0.104225  0.362818  0.418390  1
  Fe  Fe51  1  0.611938  0.794061  0.387613  1
  Fe  Fe52  1  0.604260  0.338602  0.429281  1
  Fe  Fe53  1  0.429500  0.893419  0.390430  1
  Fe  Fe54  1  0.420456  0.436846  0.432222  1
  Fe  Fe55  1  0.928791  0.719193  0.373668  1
  Fe  Fe56  1  0.919943  0.264695  0.415264  1
  Fe  Fe57  1  0.024095  0.986857  0.434003  1
  Fe  Fe58  1  0.021874  0.442367  0.392507  1
  Fe  Fe59  1  0.976868  0.942367  0.392507  1
  Fe  Fe60  1  0.974647  0.486857  0.434003  1
  Fe  Fe61  1  0.075387  0.665061  0.411257  1
  Fe  Fe62  1  0.074092  0.209148  0.452960  1
  Fe  Fe63  1  0.577166  0.492438  0.394235  1
  Fe  Fe64  1  0.573275  0.036087  0.436128  1
  Fe  Fe65  1  0.893581  0.566218  0.408392  1
  Fe  Fe66  1  0.888840  0.110651  0.450045  1
  Fe  Fe67  1  0.390962  0.590632  0.397251  1
  Fe  Fe68  1  0.390229  0.135073  0.438972  1
  Fe  Fe69  1  0.608513  0.635073  0.438972  1
  Fe  Fe70  1  0.607780  0.090632  0.397251  1
  Fe  Fe71  1  0.109902  0.610651  0.450045  1
  Fe  Fe72  1  0.105161  0.066218  0.408392  1
  Fe  Fe73  1  0.924650  0.709148  0.452960  1
  Fe  Fe74  1  0.923355  0.165061  0.411257  1
  Fe  Fe75  1  0.425467  0.536087  0.436128  1
  Fe  Fe76  1  0.421576  0.992438  0.394235  1
  Fe  Fe77  1  0.526889  0.714507  0.413382  1
  Fe  Fe78  1  0.519414  0.170227  0.371459  1
  Fe  Fe79  1  0.479328  0.670227  0.371459  1
  Fe  Fe80  1  0.471854  0.214507  0.413382  1
  Fe  Fe81  1  0.578198  0.025965  0.515588  1
  Fe  Fe82  1  0.571272  0.482116  0.473772  1
  Fe  Fe83  1  0.078048  0.853655  0.498628  1
  Fe  Fe84  1  0.071096  0.308545  0.457052  1
  Fe  Fe85  1  0.393959  0.927715  0.512610  1
  Fe  Fe86  1  0.387116  0.383097  0.470968  1
  Fe  Fe87  1  0.894338  0.951951  0.501577  1
  Fe  Fe88  1  0.887050  0.407577  0.459796  1
  Fe  Fe89  1  0.111692  0.907577  0.459796  1
  Fe  Fe90  1  0.104404  0.451951  0.501577  1
  Fe  Fe91  1  0.611626  0.883097  0.470968  1
  Fe  Fe92  1  0.604783  0.427715  0.512610  1
  Fe  Fe93  1  0.427471  0.982116  0.473772  1
  Fe  Fe94  1  0.420544  0.525965  0.515588  1
  Fe  Fe95  1  0.927646  0.808545  0.457052  1
  Fe  Fe96  1  0.920694  0.353655  0.498628  1
  Fe  Fe97  1  0.024870  0.075971  0.517385  1
  Fe  Fe98  1  0.022039  0.531381  0.475892  1
  Fe  Fe99  1  0.976703  0.031381  0.475892  1
  Fe  Fe100  1  0.973872  0.575971  0.517385  1
  Fe  Fe101  1  0.075205  0.754145  0.494622  1
  Fe  Fe102  1  0.074551  0.298340  0.536353  1
  Fe  Fe103  1  0.575595  0.581345  0.477717  1
  Fe  Fe104  1  0.574173  0.125260  0.519499  1
  Fe  Fe105  1  0.891738  0.655355  0.491723  1
  Fe  Fe106  1  0.889807  0.199808  0.533444  1
  Fe  Fe107  1  0.390807  0.679747  0.480661  1
  Fe  Fe108  1  0.390693  0.224244  0.522331  1
  Fe  Fe109  1  0.608049  0.724244  0.522331  1
  Fe  Fe110  1  0.607935  0.179747  0.480661  1
  Fe  Fe111  1  0.108935  0.699808  0.533444  1
  Fe  Fe112  1  0.107004  0.155355  0.491723  1
  Fe  Fe113  1  0.924191  0.798340  0.536353  1
  Fe  Fe114  1  0.923537  0.254145  0.494622  1
  Fe  Fe115  1  0.424569  0.625260  0.519499  1
  Fe  Fe116  1  0.423147  0.081345  0.477717  1
  Fe  Fe117  1  0.525842  0.803651  0.496726  1
  Fe  Fe118  1  0.521436  0.259157  0.454899  1
  Fe  Fe119  1  0.477306  0.759157  0.454899  1
  Fe  Fe120  1  0.472900  0.303651  0.496726  1
  Fe  Fe121  1  0.579904  0.115096  0.598981  1
  Fe  Fe122  1  0.570522  0.571211  0.557038  1
  Fe  Fe123  1  0.078753  0.942738  0.581997  1
  Fe  Fe124  1  0.071100  0.397640  0.540380  1
  Fe  Fe125  1  0.394830  0.016783  0.596029  1
  Fe  Fe126  1  0.387069  0.472121  0.554359  1
  Fe  Fe127  1  0.897202  0.040967  0.584871  1
  Fe  Fe128  1  0.886085  0.496584  0.543223  1
  Fe  Fe129  1  0.112657  0.996584  0.543223  1
  Fe  Fe130  1  0.101540  0.540967  0.584871  1
  Fe  Fe131  1  0.611673  0.972121  0.554359  1
  Fe  Fe132  1  0.603912  0.516783  0.596029  1
  Fe  Fe133  1  0.428220  0.071211  0.557038  1
  Fe  Fe134  1  0.418839  0.615096  0.598981  1
  Fe  Fe135  1  0.927642  0.897640  0.540380  1
  Fe  Fe136  1  0.919989  0.442738  0.581997  1
  Fe  Fe137  1  0.025679  0.165064  0.600734  1
  Fe  Fe138  1  0.021725  0.620509  0.559224  1
  Fe  Fe139  1  0.977017  0.120509  0.559224  1
  Fe  Fe140  1  0.973063  0.665064  0.600734  1
  Fe  Fe141  1  0.074766  0.843262  0.578016  1
  Fe  Fe142  1  0.075210  0.387466  0.619853  1
  Fe  Fe143  1  0.574907  0.670633  0.561044  1
  Fe  Fe144  1  0.574152  0.214081  0.602909  1
  Fe  Fe145  1  0.890984  0.744550  0.574985  1
  Fe  Fe146  1  0.889793  0.288815  0.617141  1
  Fe  Fe147  1  0.390014  0.768954  0.564051  1
  Fe  Fe148  1  0.392060  0.313309  0.605715  1
  Fe  Fe149  1  0.606682  0.813309  0.605715  1
  Fe  Fe150  1  0.608728  0.268954  0.564051  1
  Fe  Fe151  1  0.108950  0.788815  0.617141  1
  Fe  Fe152  1  0.107758  0.244550  0.574985  1
  Fe  Fe153  1  0.923532  0.887466  0.619853  1
  Fe  Fe154  1  0.923976  0.343262  0.578016  1
  Fe  Fe155  1  0.424590  0.714081  0.602909  1
  Fe  Fe156  1  0.423835  0.170633  0.561044  1
  Fe  Fe157  1  0.525410  0.892752  0.580119  1
  Fe  Fe158  1  0.521649  0.348225  0.538282  1
  Fe  Fe159  1  0.477093  0.848225  0.538282  1
  Fe  Fe160  1  0.473333  0.392752  0.580119  1
  Fe  Fe161  1  0.583313  0.202806  0.683023  1
  Fe  Fe162  1  0.566552  0.660832  0.640260  1
  Fe  Fe163  1  0.080184  0.031941  0.665301  1
  Fe  Fe164  1  0.069014  0.486340  0.623718  1
  Fe  Fe165  1  0.391277  0.105422  0.679355  1
  Fe  Fe166  1  0.386135  0.561186  0.637255  1
  Fe  Fe167  1  0.904800  0.129830  0.668164  1
  Fe  Fe168  1  0.881371  0.585718  0.626561  1
  Fe  Fe169  1  0.117371  0.085718  0.626561  1
  Fe  Fe170  1  0.093942  0.629830  0.668164  1
  Fe  Fe171  1  0.612607  0.061186  0.637255  1
  Fe  Fe172  1  0.607465  0.605422  0.679355  1
  Fe  Fe173  1  0.432190  0.160832  0.640260  1
  Fe  Fe174  1  0.415429  0.702806  0.683023  1
  Fe  Fe175  1  0.929728  0.986340  0.623718  1
  Fe  Fe176  1  0.918558  0.531941  0.665301  1
  Fe  Fe177  1  0.027435  0.254079  0.684556  1
  Fe  Fe178  1  0.022319  0.709408  0.642387  1
  Fe  Fe179  1  0.976423  0.209408  0.642387  1
  Fe  Fe180  1  0.971307  0.754079  0.684556  1
  Fe  Fe181  1  0.074333  0.932060  0.661200  1
  Fe  Fe182  1  0.074162  0.478593  0.702863  1
  Fe  Fe183  1  0.575260  0.760253  0.644268  1
  Fe  Fe184  1  0.565628  0.300924  0.686129  1
  Fe  Fe185  1  0.893511  0.833455  0.658069  1
  Fe  Fe186  1  0.881712  0.377311  0.700211  1
  Fe  Fe187  1  0.389735  0.857566  0.647413  1
  Fe  Fe188  1  0.397178  0.401228  0.689089  1
  Fe  Fe189  1  0.601564  0.901228  0.689089  1
  Fe  Fe190  1  0.609007  0.357566  0.647413  1
  Fe  Fe191  1  0.117031  0.877311  0.700211  1
  Fe  Fe192  1  0.105231  0.333455  0.658069  1
  Fe  Fe193  1  0.924580  0.978593  0.702863  1
  Fe  Fe194  1  0.924409  0.432060  0.661200  1
  Fe  Fe195  1  0.433114  0.800924  0.686129  1
  Fe  Fe196  1  0.423482  0.260253  0.644268  1
  Fe  Fe197  1  0.527381  0.982963  0.663898  1
  Fe  Fe198  1  0.520831  0.437188  0.621658  1
  Fe  Fe199  1  0.477911  0.937188  0.621658  1
  Fe  Fe200  1  0.471361  0.482963  0.663898  1
  C  C201  1  0.300656  0.653481  0.301064  1
  C  C202  1  0.289491  0.198852  0.342185  1
  C  C203  1  0.805300  0.779253  0.297207  1
  C  C204  1  0.788627  0.326175  0.338099  1
  C  C205  1  0.210115  0.826175  0.338099  1
  C  C206  1  0.193442  0.279253  0.297207  1
  C  C207  1  0.709251  0.698852  0.342185  1
  C  C208  1  0.698086  0.153481  0.301064  1
  C  C209  1  0.796847  0.471133  0.362909  1
  C  C210  1  0.791547  0.924765  0.321808  1
  C  C211  1  0.294798  0.597412  0.359196  1
  C  C212  1  0.294963  0.052148  0.317567  1
  C  C213  1  0.703779  0.552148  0.317567  1
  C  C214  1  0.703945  0.097412  0.359196  1
  C  C215  1  0.207195  0.424765  0.321808  1
  C  C216  1  0.201895  0.971133  0.362909  1
  C  C217  1  0.298050  0.742929  0.383994  1
  C  C218  1  0.290242  0.287479  0.425661  1
  C  C219  1  0.798776  0.869283  0.380323  1
  C  C220  1  0.790508  0.414084  0.421738  1
  C  C221  1  0.208234  0.914084  0.421738  1
  C  C222  1  0.199966  0.369283  0.380323  1
  C  C223  1  0.708500  0.787479  0.425661  1
  C  C224  1  0.700692  0.242929  0.383994  1
  C  C225  1  0.794765  0.559846  0.446396  1
  C  C226  1  0.792130  0.014841  0.404748  1
  C  C227  1  0.294964  0.686308  0.442590  1
  C  C228  1  0.292743  0.141449  0.400936  1
  C  C229  1  0.706000  0.641449  0.400936  1
  C  C230  1  0.703779  0.186308  0.442590  1
  C  C231  1  0.206612  0.514841  0.404748  1
  C  C232  1  0.203977  0.059846  0.446396  1
  C  C233  1  0.297267  0.832091  0.467321  1
  C  C234  1  0.290804  0.376579  0.509027  1
  C  C235  1  0.797091  0.958494  0.463542  1
  C  C236  1  0.790715  0.503170  0.505143  1
  C  C237  1  0.208027  1.003170  0.505143  1
  C  C238  1  0.201651  0.458494  0.463542  1
  C  C239  1  0.707939  0.876579  0.509027  1
  C  C240  1  0.701475  0.332091  0.467321  1
  C  C241  1  0.794047  0.648946  0.529752  1
  C  C242  1  0.793429  0.104120  0.488128  1
  C  C243  1  0.294411  0.775447  0.525972  1
  C  C244  1  0.293051  0.230626  0.484299  1
  C  C245  1  0.705692  0.730626  0.484299  1
  C  C246  1  0.704331  0.275447  0.525972  1
  C  C247  1  0.205313  0.604120  0.488128  1
  C  C248  1  0.204695  0.148946  0.529752  1
  C  C249  1  0.297337  0.921122  0.550660  1
  C  C250  1  0.290121  0.465606  0.592404  1
  C  C251  1  0.797799  0.047449  0.546884  1
  C  C252  1  0.789065  0.592524  0.588423  1
  C  C253  1  0.209677  0.092524  0.588423  1
  C  C254  1  0.200943  0.547449  0.546884  1
  C  C255  1  0.708621  0.965606  0.592404  1
  C  C256  1  0.701405  0.421122  0.550660  1
  C  C257  1  0.793983  0.738109  0.613024  1
  C  C258  1  0.794015  0.193330  0.571520  1
  C  C259  1  0.293658  0.864667  0.609366  1
  C  C260  1  0.293487  0.319735  0.567708  1
  C  C261  1  0.705255  0.819735  0.567708  1
  C  C262  1  0.705085  0.364667  0.609366  1
  C  C263  1  0.204727  0.693330  0.571520  1
  C  C264  1  0.204760  0.238109  0.613024  1
  C  C265  1  0.299316  0.009751  0.634093  1
  C  C266  1  0.288023  0.555981  0.675299  1
  C  C267  1  0.800697  0.136076  0.630286  1
  C  C268  1  0.785815  0.682574  0.671517  1
  C  C269  1  0.212927  0.182574  0.671517  1
  C  C270  1  0.198045  0.636076  0.630286  1
  C  C271  1  0.710719  0.055981  0.675299  1
  C  C272  1  0.699427  0.509751  0.634093  1
  C  C273  1  0.798047  0.827777  0.696157  1
  C  C274  1  0.794496  0.281282  0.655202  1
  C  C275  1  0.292175  0.953625  0.692579  1
  C  C276  1  0.294839  0.408601  0.651216  1
  C  C277  1  0.703903  0.908601  0.651216  1
  C  C278  1  0.706567  0.453625  0.692579  1
  C  C279  1  0.204246  0.781282  0.655202  1
  C  C280  1  0.200695  0.327777  0.696157  1
