# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74961221
_cell_length_b   10.31537324
_cell_length_c   49.81019783
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.92888723
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe120 C48'
_cell_volume   2943.28837387
_cell_formula_units_Z   24
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  0.540849  0.766847  0.280070  1
  Fe  Fe2  1  0.394505  0.366961  0.319486  1
  Fe  Fe3  1  0.094775  0.237735  0.298119  1
  Fe  Fe4  1  0.936231  0.837425  0.337845  1
  Fe  Fe5  1  0.755199  0.115725  0.289433  1
  Fe  Fe6  1  0.596827  0.718235  0.327478  1
  Fe  Fe7  1  0.608152  0.961764  0.325257  1
  Fe  Fe8  1  0.762087  0.361567  0.286164  1
  Fe  Fe9  1  0.723887  0.243694  0.332007  1
  Fe  Fe10  1  0.878431  0.641819  0.293603  1
  Fe  Fe11  1  0.362245  0.136912  0.327296  1
  Fe  Fe12  1  0.518167  0.537473  0.288444  1
  Fe  Fe13  1  0.271406  0.908101  0.302718  1
  Fe  Fe14  1  0.115203  0.508128  0.340341  1
  Fe  Fe15  1  0.967834  0.068794  0.330322  1
  Fe  Fe16  1  0.127944  0.470306  0.291442  1
  Fe  Fe17  1  0.887466  0.887737  0.291147  1
  Fe  Fe18  1  0.734648  0.486034  0.329283  1
  Fe  Fe19  1  0.372331  0.095686  0.277935  1
  Fe  Fe20  1  0.214614  0.695586  0.316615  1
  Fe  Fe21  1  0.234915  0.968067  0.357932  1
  Fe  Fe22  1  0.076580  0.568418  0.396365  1
  Fe  Fe23  1  0.777998  0.438324  0.375862  1
  Fe  Fe24  1  0.620049  0.038435  0.414593  1
  Fe  Fe25  1  0.438537  0.318984  0.366006  1
  Fe  Fe26  1  0.280375  0.919287  0.404532  1
  Fe  Fe27  1  0.291080  0.163518  0.402153  1
  Fe  Fe28  1  0.449006  0.562153  0.363479  1
  Fe  Fe29  1  0.405347  0.443790  0.408924  1
  Fe  Fe30  1  0.563624  0.843141  0.370535  1
  Fe  Fe31  1  0.044640  0.338349  0.404006  1
  Fe  Fe32  1  0.203056  0.737085  0.365573  1
  Fe  Fe33  1  0.956581  0.109924  0.379195  1
  Fe  Fe34  1  0.798420  0.709929  0.417530  1
  Fe  Fe35  1  0.651755  0.268842  0.406944  1
  Fe  Fe36  1  0.809449  0.668399  0.368482  1
  Fe  Fe37  1  0.574237  0.087285  0.368128  1
  Fe  Fe38  1  0.416424  0.687478  0.406428  1
  Fe  Fe39  1  0.055830  0.296335  0.354792  1
  Fe  Fe40  1  0.898191  0.896754  0.393469  1
  Fe  Fe41  1  0.918629  0.169035  0.434897  1
  Fe  Fe42  1  0.760846  0.769566  0.473322  1
  Fe  Fe43  1  0.462164  0.639007  0.452991  1
  Fe  Fe44  1  0.304669  0.239517  0.491462  1
  Fe  Fe45  1  0.122563  0.519939  0.442930  1
  Fe  Fe46  1  0.964969  0.120429  0.481406  1
  Fe  Fe47  1  0.975396  0.364223  0.478932  1
  Fe  Fe48  1  0.133113  0.763638  0.440464  1
  Fe  Fe49  1  0.089905  0.644799  0.485860  1
  Fe  Fe50  1  0.247923  0.044421  0.447425  1
  Fe  Fe51  1  0.729092  0.539100  0.480915  1
  Fe  Fe52  1  0.887150  0.938616  0.442492  1
  Fe  Fe53  1  0.640675  0.310802  0.456050  1
  Fe  Fe54  1  0.482943  0.911127  0.494486  1
  Fe  Fe55  1  0.336211  0.469896  0.483848  1
  Fe  Fe56  1  0.493924  0.869530  0.445444  1
  Fe  Fe57  1  0.258280  0.288093  0.444961  1
  Fe  Fe58  1  0.100575  0.888647  0.483406  1
  Fe  Fe59  1  0.740207  0.497340  0.431840  1
  Fe  Fe60  1  0.582621  0.097880  0.470332  1
  Fe  Fe61  1  0.603146  0.370051  0.511802  1
  Fe  Fe62  1  0.445652  0.970561  0.550273  1
  Fe  Fe63  1  0.146970  0.840003  0.529942  1
  Fe  Fe64  1  0.989187  0.440533  0.568367  1
  Fe  Fe65  1  0.807241  0.720922  0.519858  1
  Fe  Fe66  1  0.649535  0.321476  0.558303  1
  Fe  Fe67  1  0.659892  0.565147  0.555839  1
  Fe  Fe68  1  0.817911  0.964770  0.517404  1
  Fe  Fe69  1  0.774703  0.845930  0.562800  1
  Fe  Fe70  1  0.932419  0.245345  0.524332  1
  Fe  Fe71  1  0.413892  0.740039  0.557820  1
  Fe  Fe72  1  0.571604  0.139672  0.519416  1
  Fe  Fe73  1  0.325195  0.511688  0.532932  1
  Fe  Fe74  1  0.167609  0.112228  0.571424  1
  Fe  Fe75  1  0.020665  0.670952  0.560772  1
  Fe  Fe76  1  0.178724  0.070469  0.522349  1
  Fe  Fe77  1  0.942847  0.489139  0.521858  1
  Fe  Fe78  1  0.785253  0.089629  0.560334  1
  Fe  Fe79  1  0.424872  0.698442  0.508778  1
  Fe  Fe80  1  0.267140  0.298766  0.547214  1
  Fe  Fe81  1  0.287767  0.571133  0.588671  1
  Fe  Fe82  1  0.129818  0.171244  0.627402  1
  Fe  Fe83  1  0.831236  0.041150  0.606899  1
  Fe  Fe84  1  0.672900  0.641502  0.645332  1
  Fe  Fe85  1  0.491392  0.922090  0.596836  1
  Fe  Fe86  1  0.333579  0.522283  0.635136  1
  Fe  Fe87  1  0.344192  0.766427  0.632729  1
  Fe  Fe88  1  0.502469  0.165779  0.594340  1
  Fe  Fe89  1  0.458809  0.047415  0.639786  1
  Fe  Fe90  1  0.616736  0.446051  0.601111  1
  Fe  Fe91  1  0.098366  0.941169  0.634782  1
  Fe  Fe92  1  0.256061  0.340726  0.596320  1
  Fe  Fe93  1  0.009624  0.712814  0.609795  1
  Fe  Fe94  1  0.851986  0.313234  0.648472  1
  Fe  Fe95  1  0.704759  0.872483  0.637691  1
  Fe  Fe96  1  0.863175  0.271219  0.599258  1
  Fe  Fe97  1  0.627441  0.690281  0.598732  1
  Fe  Fe98  1  0.469278  0.290585  0.637258  1
  Fe  Fe99  1  0.109396  0.899640  0.585734  1
  Fe  Fe100  1  0.951235  0.499644  0.624069  1
  Fe  Fe101  1  0.971584  0.772143  0.665419  1
  Fe  Fe102  1  0.813041  0.371833  0.705145  1
  Fe  Fe103  1  0.513311  0.242607  0.683778  1
  Fe  Fe104  1  0.366967  0.842722  0.723194  1
  Fe  Fe105  1  0.173167  0.123535  0.673981  1
  Fe  Fe106  1  0.020350  0.721831  0.712118  1
  Fe  Fe107  1  0.029384  0.967749  0.709661  1
  Fe  Fe108  1  0.183928  0.365874  0.671258  1
  Fe  Fe109  1  0.145729  0.248002  0.717100  1
  Fe  Fe110  1  0.299664  0.647805  0.678007  1
  Fe  Fe111  1  0.779871  0.139263  0.711822  1
  Fe  Fe112  1  0.939982  0.540774  0.672942  1
  Fe  Fe113  1  0.693201  0.913983  0.686649  1
  Fe  Fe114  1  0.535484  0.513882  0.725329  1
  Fe  Fe115  1  0.389649  0.072096  0.714820  1
  Fe  Fe116  1  0.545570  0.472656  0.675968  1
  Fe  Fe117  1  0.310988  0.891334  0.675786  1
  Fe  Fe118  1  0.152616  0.493843  0.713832  1
  Fe  Fe119  1  0.792613  0.101441  0.662923  1
  Fe  Fe120  1  0.636410  0.701467  0.700546  1
  C  C121  1  0.573433  0.950878  0.286926  1
  C  C122  1  0.419098  0.552053  0.325087  1
  C  C123  1  0.116559  0.770754  0.281521  1
  C  C124  1  0.963539  0.369854  0.319102  1
  C  C125  1  0.526864  0.233156  0.299100  1
  C  C126  1  0.367819  0.834519  0.337536  1
  C  C127  1  0.071621  0.051770  0.293930  1
  C  C128  1  0.910831  0.652572  0.331957  1
  C  C129  1  0.260104  0.152980  0.363781  1
  C  C130  1  0.101709  0.753407  0.402088  1
  C  C131  1  0.803564  0.970769  0.358312  1
  C  C132  1  0.645645  0.570928  0.396584  1
  C  C133  1  0.208503  0.435108  0.375808  1
  C  C134  1  0.051168  0.035845  0.414370  1
  C  C135  1  0.753084  0.253164  0.370411  1
  C  C136  1  0.594861  0.853419  0.408910  1
  C  C137  1  0.943835  0.354059  0.440557  1
  C  C138  1  0.786198  0.954559  0.479032  1
  C  C139  1  0.487895  0.171808  0.435105  1
  C  C140  1  0.329886  0.772189  0.473547  1
  C  C141  1  0.893088  0.636299  0.452787  1
  C  C142  1  0.735579  0.236815  0.491278  1
  C  C143  1  0.436941  0.454005  0.447299  1
  C  C144  1  0.279409  0.054492  0.485801  1
  C  C145  1  0.628406  0.555077  0.517463  1
  C  C146  1  0.470875  0.155563  0.555966  1
  C  C147  1  0.172236  0.372753  0.511986  1
  C  C148  1  0.014728  0.973269  0.550477  1
  C  C149  1  0.577930  0.837379  0.529717  1
  C  C150  1  0.419920  0.437760  0.568159  1
  C  C151  1  0.121618  0.655009  0.524232  1
  C  C152  1  0.963980  0.255510  0.562707  1
  C  C153  1  0.312955  0.756150  0.594354  1
  C  C154  1  0.154732  0.356404  0.632853  1
  C  C155  1  0.856648  0.573723  0.588894  1
  C  C156  1  0.699312  0.174460  0.627456  1
  C  C157  1  0.262171  0.038640  0.606680  1
  C  C158  1  0.104252  0.638799  0.644952  1
  C  C159  1  0.806107  0.856161  0.601176  1
  C  C160  1  0.647712  0.456589  0.639483  1
  C  C161  1  0.996985  0.956997  0.671307  1
  C  C162  1  0.836194  0.557799  0.709334  1
  C  C163  1  0.539996  0.775049  0.665728  1
  C  C164  1  0.380952  0.376412  0.704164  1
  C  C165  1  0.944277  0.239715  0.684162  1
  C  C166  1  0.791257  0.838815  0.721743  1
  C  C167  1  0.488717  0.057516  0.678177  1
  C  C168  1  0.334382  0.658690  0.716338  1
