# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.60951962
_cell_length_b   6.83462318
_cell_length_c   49.99270058
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.93781170
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe140 C56'
_cell_volume   3616.51597676
_cell_formula_units_Z   28
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  0.399298  0.237055  0.298892  1
  Fe  Fe2  1  0.994597  0.420287  0.332096  1
  Fe  Fe3  1  0.028378  0.526952  0.285878  1
  Fe  Fe4  1  0.625683  0.726571  0.317113  1
  Fe  Fe5  1  0.201419  0.036706  0.306353  1
  Fe  Fe6  1  0.802568  0.231924  0.338711  1
  Fe  Fe7  1  0.010667  0.881763  0.283057  1
  Fe  Fe8  1  0.611668  0.080557  0.315139  1
  Fe  Fe9  1  0.405517  0.879848  0.304791  1
  Fe  Fe10  1  0.009431  0.065519  0.335246  1
  Fe  Fe11  1  0.556550  0.397267  0.327052  1
  Fe  Fe12  1  0.952445  0.211061  0.295723  1
  Fe  Fe13  1  0.244856  0.479822  0.309826  1
  Fe  Fe14  1  0.647212  0.277003  0.278339  1
  Fe  Fe15  1  0.066131  0.743779  0.323587  1
  Fe  Fe16  1  0.459944  0.559259  0.290721  1
  Fe  Fe17  1  0.226752  0.741355  0.279068  1
  Fe  Fe18  1  0.821947  0.910235  0.310669  1
  Fe  Fe19  1  0.373066  0.665907  0.339529  1
  Fe  Fe20  1  0.773731  0.467817  0.308170  1
  Fe  Fe21  1  0.596622  0.618994  0.362776  1
  Fe  Fe22  1  0.200058  0.817686  0.393977  1
  Fe  Fe23  1  0.228648  0.920001  0.349090  1
  Fe  Fe24  1  0.829925  0.115505  0.380114  1
  Fe  Fe25  1  0.403857  0.426568  0.368989  1
  Fe  Fe26  1  0.007594  0.624918  0.401175  1
  Fe  Fe27  1  0.216461  0.273894  0.345028  1
  Fe  Fe28  1  0.816742  0.472072  0.376415  1
  Fe  Fe29  1  0.610056  0.266413  0.366719  1
  Fe  Fe30  1  0.211741  0.461622  0.398002  1
  Fe  Fe31  1  0.760474  0.792864  0.389099  1
  Fe  Fe32  1  0.158252  0.593108  0.357963  1
  Fe  Fe33  1  0.451518  0.873739  0.372608  1
  Fe  Fe34  1  0.851384  0.677063  0.341174  1
  Fe  Fe35  1  0.269271  0.143100  0.385172  1
  Fe  Fe36  1  0.668024  0.942624  0.354145  1
  Fe  Fe37  1  0.421146  0.112089  0.342196  1
  Fe  Fe38  1  0.022274  0.308684  0.373649  1
  Fe  Fe39  1  0.577232  0.059666  0.402031  1
  Fe  Fe40  1  0.974852  0.863639  0.370778  1
  Fe  Fe41  1  0.801478  0.014158  0.425301  1
  Fe  Fe42  1  0.403591  0.211965  0.456456  1
  Fe  Fe43  1  0.432190  0.314288  0.411490  1
  Fe  Fe44  1  0.033701  0.510526  0.442960  1
  Fe  Fe45  1  0.608941  0.821765  0.432095  1
  Fe  Fe46  1  0.210881  0.018958  0.463311  1
  Fe  Fe47  1  0.419393  0.668191  0.407597  1
  Fe  Fe48  1  0.021790  0.866157  0.438823  1
  Fe  Fe49  1  0.813970  0.658776  0.429221  1
  Fe  Fe50  1  0.415544  0.856636  0.460478  1
  Fe  Fe51  1  0.964401  0.184702  0.451636  1
  Fe  Fe52  1  0.362627  0.988101  0.420266  1
  Fe  Fe53  1  0.656062  0.267820  0.434718  1
  Fe  Fe54  1  0.054400  0.070704  0.403437  1
  Fe  Fe55  1  0.472924  0.537729  0.447705  1
  Fe  Fe56  1  0.870852  0.339895  0.416471  1
  Fe  Fe57  1  0.625574  0.505674  0.404738  1
  Fe  Fe58  1  0.226764  0.703689  0.436022  1
  Fe  Fe59  1  0.781184  0.454690  0.464601  1
  Fe  Fe60  1  0.179570  0.257347  0.433372  1
  Fe  Fe61  1  0.005435  0.409064  0.487735  1
  Fe  Fe62  1  0.607323  0.606589  0.518991  1
  Fe  Fe63  1  0.635543  0.707963  0.474079  1
  Fe  Fe64  1  0.237431  0.905488  0.505335  1
  Fe  Fe65  1  0.812577  0.216277  0.494579  1
  Fe  Fe66  1  0.414594  0.413583  0.525779  1
  Fe  Fe67  1  0.623419  0.063417  0.470064  1
  Fe  Fe68  1  0.225520  0.260740  0.501337  1
  Fe  Fe69  1  0.017346  0.053812  0.491733  1
  Fe  Fe70  1  0.619447  0.251135  0.523006  1
  Fe  Fe71  1  0.168183  0.579429  0.514097  1
  Fe  Fe72  1  0.566378  0.382286  0.482827  1
  Fe  Fe73  1  0.859602  0.662644  0.497269  1
  Fe  Fe74  1  0.257953  0.465222  0.465958  1
  Fe  Fe75  1  0.676488  0.932266  0.510243  1
  Fe  Fe76  1  0.074683  0.735123  0.478973  1
  Fe  Fe77  1  0.828272  0.900968  0.467291  1
  Fe  Fe78  1  0.430289  0.098274  0.498491  1
  Fe  Fe79  1  0.984913  0.849330  0.527112  1
  Fe  Fe80  1  0.383264  0.651908  0.495801  1
  Fe  Fe81  1  0.209165  0.804026  0.550110  1
  Fe  Fe82  1  0.810676  1.000264  0.581580  1
  Fe  Fe83  1  0.839275  0.102587  0.536615  1
  Fe  Fe84  1  0.441388  0.300393  0.567769  1
  Fe  Fe85  1  0.016102  0.610863  0.557048  1
  Fe  Fe86  1  0.617292  0.808878  0.588332  1
  Fe  Fe87  1  0.827323  0.457916  0.532592  1
  Fe  Fe88  1  0.428896  0.655776  0.563849  1
  Fe  Fe89  1  0.221076  0.448395  0.554247  1
  Fe  Fe90  1  0.823473  0.646360  0.585473  1
  Fe  Fe91  1  0.372014  0.974657  0.576599  1
  Fe  Fe92  1  0.769942  0.776822  0.545365  1
  Fe  Fe93  1  0.063296  0.057205  0.559698  1
  Fe  Fe94  1  0.461682  0.859862  0.528469  1
  Fe  Fe95  1  0.880239  0.326451  0.572804  1
  Fe  Fe96  1  0.278465  0.129850  0.541434  1
  Fe  Fe97  1  0.031985  0.295594  0.529759  1
  Fe  Fe98  1  0.633925  0.492787  0.560975  1
  Fe  Fe99  1  0.188466  0.243848  0.589633  1
  Fe  Fe100  1  0.586804  0.046732  0.558352  1
  Fe  Fe101  1  0.412941  0.199047  0.612957  1
  Fe  Fe102  1  0.014218  0.394551  0.643980  1
  Fe  Fe103  1  0.042808  0.496866  0.599093  1
  Fe  Fe104  1  0.646244  0.695558  0.630294  1
  Fe  Fe105  1  0.220592  0.005868  0.619421  1
  Fe  Fe106  1  0.821720  0.202463  0.650875  1
  Fe  Fe107  1  0.031125  0.852929  0.595068  1
  Fe  Fe108  1  0.632810  0.048139  0.626351  1
  Fe  Fe109  1  0.426124  0.842479  0.616655  1
  Fe  Fe110  1  0.026405  0.040658  0.648042  1
  Fe  Fe111  1  0.574842  0.371928  0.638925  1
  Fe  Fe112  1  0.973595  0.171452  0.607898  1
  Fe  Fe113  1  0.268014  0.450912  0.622292  1
  Fe  Fe114  1  0.665634  0.254886  0.591039  1
  Fe  Fe115  1  0.084614  0.721444  0.635107  1
  Fe  Fe116  1  0.482392  0.521688  0.603971  1
  Fe  Fe117  1  0.235272  0.689634  0.591895  1
  Fe  Fe118  1  0.839009  0.887984  0.624081  1
  Fe  Fe119  1  0.391482  0.637489  0.651896  1
  Fe  Fe120  1  0.791349  0.440812  0.620462  1
  Fe  Fe121  1  0.617183  0.587981  0.675957  1
  Fe  Fe122  1  0.214488  0.787600  0.707192  1
  Fe  Fe123  1  0.248269  0.894265  0.660974  1
  Fe  Fe124  1  0.843568  0.077497  0.694178  1
  Fe  Fe125  1  0.420919  0.404317  0.682401  1
  Fe  Fe126  1  0.016114  0.573197  0.714002  1
  Fe  Fe127  1  0.233435  0.249033  0.657824  1
  Fe  Fe128  1  0.837349  0.434704  0.688279  1
  Fe  Fe129  1  0.631198  0.233995  0.677931  1
  Fe  Fe130  1  0.232199  0.432789  0.710013  1
  Fe  Fe131  1  0.782922  0.755292  0.702349  1
  Fe  Fe132  1  0.176735  0.570773  0.669483  1
  Fe  Fe133  1  0.469135  0.846735  0.684900  1
  Fe  Fe134  1  0.869800  0.648645  0.653541  1
  Fe  Fe135  1  0.290421  0.103491  0.697347  1
  Fe  Fe136  1  0.686316  0.917285  0.666018  1
  Fe  Fe137  1  0.440298  0.082628  0.654359  1
  Fe  Fe138  1  0.041447  0.277846  0.686717  1
  Fe  Fe139  1  0.595654  0.037549  0.714731  1
  Fe  Fe140  1  0.998010  0.834730  0.683244  1
  C  C141  1  0.376214  0.380331  0.331426  1
  C  C142  1  0.773137  0.178124  0.301417  1
  C  C143  1  0.510110  0.880276  0.336193  1
  C  C144  1  0.910886  0.678156  0.304824  1
  C  C145  1  0.111295  0.265079  0.313678  1
  C  C146  1  0.513085  0.064035  0.282871  1
  C  C147  1  0.245079  0.767026  0.317188  1
  C  C148  1  0.639990  0.559144  0.286531  1
  C  C149  1  0.580775  0.772785  0.394632  1
  C  C150  1  0.978709  0.576382  0.363736  1
  C  C151  1  0.714054  0.274171  0.398251  1
  C  C152  1  0.112202  0.078996  0.366958  1
  C  C153  1  0.315602  0.657443  0.376036  1
  C  C154  1  0.714829  0.465018  0.344578  1
  C  C155  1  0.449024  0.160254  0.379687  1
  C  C156  1  0.847374  0.963285  0.348143  1
  C  C157  1  0.784659  0.168519  0.457078  1
  C  C158  1  0.182954  0.971387  0.425806  1
  C  C159  1  0.917611  0.670359  0.460805  1
  C  C160  1  0.315970  0.472987  0.429493  1
  C  C161  1  0.519522  0.052392  0.438519  1
  C  C162  1  0.917714  0.855474  0.407304  1
  C  C163  1  0.652660  0.554274  0.442248  1
  C  C164  1  0.050652  0.356874  0.411121  1
  C  C165  1  0.988435  0.563074  0.519539  1
  C  C166  1  0.386645  0.365774  0.488280  1
  C  C167  1  0.121450  0.065145  0.523245  1
  C  C168  1  0.519607  0.867645  0.491998  1
  C  C169  1  0.723259  0.446907  0.501072  1
  C  C170  1  0.121416  0.249407  0.469826  1
  C  C171  1  0.856221  0.948778  0.504790  1
  C  C172  1  0.254431  0.751478  0.473531  1
  C  C173  1  0.192214  0.957678  0.581949  1
  C  C174  1  0.590206  0.760277  0.550822  1
  C  C175  1  0.325152  0.459078  0.585766  1
  C  C176  1  0.723344  0.262160  0.554551  1
  C  C177  1  0.926896  0.841565  0.563577  1
  C  C178  1  0.325255  0.644193  0.532265  1
  C  C179  1  0.059912  0.343165  0.567264  1
  C  C180  1  0.458207  0.146033  0.535992  1
  C  C181  1  0.395492  0.351267  0.644927  1
  C  C182  1  0.793842  0.154298  0.613383  1
  C  C183  1  0.528037  0.849534  0.648492  1
  C  C184  1  0.927264  0.657109  0.617034  1
  C  C185  1  0.130664  0.235555  0.626112  1
  C  C186  1  0.528812  0.040381  0.594819  1
  C  C187  1  0.264158  0.738170  0.629334  1
  C  C188  1  0.662091  0.541767  0.598438  1
  C  C189  1  0.602876  0.755408  0.706539  1
  C  C190  1  0.997787  0.547525  0.675882  1
  C  C191  1  0.729781  0.250516  0.710199  1
  C  C192  1  0.131571  0.049473  0.679392  1
  C  C193  1  0.331980  0.636396  0.688246  1
  C  C194  1  0.732756  0.434276  0.656877  1
  C  C195  1  0.469729  0.136428  0.691653  1
  C  C196  1  0.866652  0.934220  0.661645  1
