# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50252019
_cell_length_b   10.65760421
_cell_length_c   51.62209739
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe140 C60'
_cell_volume   3577.47776665
_cell_formula_units_Z   20
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  0.938922  0.200951  0.310585  1
  Fe  Fe2  1  0.562149  0.297735  0.355928  1
  Fe  Fe3  1  0.436009  0.799405  0.330936  1
  Fe  Fe4  1  0.025444  0.716443  0.285683  1
  Fe  Fe5  1  0.248232  0.198226  0.345936  1
  Fe  Fe6  1  0.247906  0.301823  0.300571  1
  Fe  Fe7  1  0.723676  0.800553  0.298751  1
  Fe  Fe8  1  0.744206  0.696993  0.341542  1
  Fe  Fe9  1  0.244534  0.424649  0.344744  1
  Fe  Fe10  1  0.257261  0.087800  0.301955  1
  Fe  Fe11  1  0.742874  0.572896  0.297581  1
  Fe  Fe12  1  0.747469  0.924107  0.342345  1
  Fe  Fe13  1  0.242124  0.624795  0.328700  1
  Fe  Fe14  1  0.266590  0.881046  0.282099  1
  Fe  Fe15  1  0.745200  0.375232  0.313209  1
  Fe  Fe16  1  0.748339  0.123238  0.357334  1
  Fe  Fe17  1  0.940322  0.297163  0.355336  1
  Fe  Fe18  1  0.560675  0.201852  0.310465  1
  Fe  Fe19  1  0.390442  0.686705  0.287974  1
  Fe  Fe20  1  0.059057  0.801623  0.330585  1
  Fe  Fe21  1  0.071179  0.496001  0.298102  1
  Fe  Fe22  1  0.427434  0.007201  0.342679  1
  Fe  Fe23  1  0.569676  0.506249  0.344350  1
  Fe  Fe24  1  0.928479  0.989339  0.297611  1
  Fe  Fe25  1  0.925442  0.510677  0.343711  1
  Fe  Fe26  1  0.569122  0.995691  0.296727  1
  Fe  Fe27  1  0.429495  0.485863  0.297392  1
  Fe  Fe28  1  0.071307  0.007184  0.342495  1
  Fe  Fe29  1  0.940176  0.198314  0.400939  1
  Fe  Fe30  1  0.558131  0.298540  0.446319  1
  Fe  Fe31  1  0.441030  0.799332  0.422323  1
  Fe  Fe32  1  0.054310  0.699332  0.376873  1
  Fe  Fe33  1  0.248983  0.196992  0.436297  1
  Fe  Fe34  1  0.249085  0.299611  0.390783  1
  Fe  Fe35  1  0.748207  0.800252  0.386296  1
  Fe  Fe36  1  0.748963  0.696871  0.432731  1
  Fe  Fe37  1  0.248766  0.425014  0.434849  1
  Fe  Fe38  1  0.248608  0.072699  0.389349  1
  Fe  Fe39  1  0.748509  0.573041  0.388401  1
  Fe  Fe40  1  0.748967  0.924419  0.433886  1
  Fe  Fe41  1  0.248643  0.624824  0.419530  1
  Fe  Fe42  1  0.247657  0.872914  0.373985  1
  Fe  Fe43  1  0.748973  0.373108  0.403694  1
  Fe  Fe44  1  0.749222  0.124086  0.449038  1
  Fe  Fe45  1  0.940129  0.298408  0.446349  1
  Fe  Fe46  1  0.558570  0.198920  0.400918  1
  Fe  Fe47  1  0.440780  0.699817  0.377109  1
  Fe  Fe48  1  0.055984  0.799433  0.422266  1
  Fe  Fe49  1  0.071793  0.491814  0.388691  1
  Fe  Fe50  1  0.426654  0.006413  0.433907  1
  Fe  Fe51  1  0.571267  0.506125  0.434885  1
  Fe  Fe52  1  0.925414  0.989025  0.389137  1
  Fe  Fe53  1  0.926679  0.506391  0.434868  1
  Fe  Fe54  1  0.571337  0.989615  0.389158  1
  Fe  Fe55  1  0.427083  0.490664  0.388309  1
  Fe  Fe56  1  0.070946  0.006465  0.433920  1
  Fe  Fe57  1  0.940569  0.198300  0.491946  1
  Fe  Fe58  1  0.558133  0.298645  0.537353  1
  Fe  Fe59  1  0.440714  0.798740  0.513445  1
  Fe  Fe60  1  0.057557  0.698497  0.467974  1
  Fe  Fe61  1  0.249454  0.196838  0.527239  1
  Fe  Fe62  1  0.249333  0.300106  0.481657  1
  Fe  Fe63  1  0.749087  0.800209  0.478101  1
  Fe  Fe64  1  0.749407  0.696872  0.523718  1
  Fe  Fe65  1  0.249404  0.424721  0.525876  1
  Fe  Fe66  1  0.249357  0.072387  0.480335  1
  Fe  Fe67  1  0.749197  0.572254  0.479475  1
  Fe  Fe68  1  0.749252  0.924603  0.525012  1
  Fe  Fe69  1  0.249263  0.624339  0.510516  1
  Fe  Fe70  1  0.249024  0.872818  0.465050  1
  Fe  Fe71  1  0.749376  0.372665  0.494802  1
  Fe  Fe72  1  0.749532  0.124228  0.540316  1
  Fe  Fe73  1  0.940980  0.298588  0.537372  1
  Fe  Fe74  1  0.557900  0.198297  0.491893  1
  Fe  Fe75  1  0.440618  0.698478  0.468027  1
  Fe  Fe76  1  0.057954  0.798723  0.513420  1
  Fe  Fe77  1  0.071706  0.490859  0.479450  1
  Fe  Fe78  1  0.426865  0.006279  0.525031  1
  Fe  Fe79  1  0.572026  0.506111  0.525912  1
  Fe  Fe80  1  0.926779  0.990680  0.480366  1
  Fe  Fe81  1  0.926903  0.506193  0.525899  1
  Fe  Fe82  1  0.571657  0.990766  0.480333  1
  Fe  Fe83  1  0.426668  0.490839  0.479448  1
  Fe  Fe84  1  0.071734  0.006326  0.525008  1
  Fe  Fe85  1  0.942414  0.197782  0.583070  1
  Fe  Fe86  1  0.557506  0.297387  0.628241  1
  Fe  Fe87  1  0.439726  0.798292  0.604406  1
  Fe  Fe88  1  0.058449  0.698612  0.558996  1
  Fe  Fe89  1  0.249973  0.196957  0.619039  1
  Fe  Fe90  1  0.249472  0.300363  0.572598  1
  Fe  Fe91  1  0.749450  0.800170  0.569064  1
  Fe  Fe92  1  0.749315  0.697494  0.614574  1
  Fe  Fe93  1  0.249754  0.424189  0.616957  1
  Fe  Fe94  1  0.249597  0.072823  0.571484  1
  Fe  Fe95  1  0.749583  0.572232  0.570491  1
  Fe  Fe96  1  0.749584  0.924481  0.615957  1
  Fe  Fe97  1  0.249402  0.624149  0.601657  1
  Fe  Fe98  1  0.249325  0.873020  0.556317  1
  Fe  Fe99  1  0.749682  0.372378  0.585854  1
  Fe  Fe100  1  0.750492  0.124332  0.631331  1
  Fe  Fe101  1  0.943878  0.297958  0.628452  1
  Fe  Fe102  1  0.557189  0.197906  0.583029  1
  Fe  Fe103  1  0.440207  0.698593  0.559029  1
  Fe  Fe104  1  0.058019  0.798860  0.604417  1
  Fe  Fe105  1  0.071922  0.490955  0.570497  1
  Fe  Fe106  1  0.426954  0.007631  0.616164  1
  Fe  Fe107  1  0.570976  0.506458  0.617030  1
  Fe  Fe108  1  0.927441  0.990727  0.571409  1
  Fe  Fe109  1  0.926579  0.505319  0.616648  1
  Fe  Fe110  1  0.571620  0.990658  0.571439  1
  Fe  Fe111  1  0.427295  0.491084  0.570456  1
  Fe  Fe112  1  0.072755  0.008215  0.616207  1
  Fe  Fe113  1  0.938949  0.195706  0.674741  1
  Fe  Fe114  1  0.610045  0.311158  0.717254  1
  Fe  Fe115  1  0.437290  0.795494  0.694842  1
  Fe  Fe116  1  0.057820  0.700079  0.650001  1
  Fe  Fe117  1  0.274959  0.196671  0.706602  1
  Fe  Fe118  1  0.254027  0.300232  0.663812  1
  Fe  Fe119  1  0.749754  0.799041  0.659410  1
  Fe  Fe120  1  0.750179  0.695626  0.704760  1
  Fe  Fe121  1  0.255238  0.424490  0.707750  1
  Fe  Fe122  1  0.250630  0.073194  0.662988  1
  Fe  Fe123  1  0.753543  0.572638  0.660590  1
  Fe  Fe124  1  0.740886  0.909608  0.703413  1
  Fe  Fe125  1  0.252878  0.622088  0.692103  1
  Fe  Fe126  1  0.249767  0.874022  0.647960  1
  Fe  Fe127  1  0.756043  0.372545  0.676644  1
  Fe  Fe128  1  0.730125  0.116291  0.723212  1
  Fe  Fe129  1  0.973611  0.280392  0.719644  1
  Fe  Fe130  1  0.562091  0.197935  0.674389  1
  Fe  Fe131  1  0.436051  0.699589  0.649403  1
  Fe  Fe132  1  0.058873  0.796354  0.694781  1
  Fe  Fe133  1  0.072691  0.486604  0.661632  1
  Fe  Fe134  1  0.428767  0.001517  0.708550  1
  Fe  Fe135  1  0.568519  0.511719  0.707981  1
  Fe  Fe136  1  0.926669  0.990185  0.662814  1
  Fe  Fe137  1  0.926862  0.501324  0.707240  1
  Fe  Fe138  1  0.570521  0.990054  0.662660  1
  Fe  Fe139  1  0.428562  0.491111  0.661014  1
  Fe  Fe140  1  0.069614  0.008118  0.707690  1
  C  C141  1  0.748749  0.073643  0.321543  1
  C  C142  1  0.754241  0.421858  0.277266  1
  C  C143  1  0.250259  0.925351  0.318125  1
  C  C144  1  0.248454  0.577123  0.364581  1
  C  C145  1  0.043613  0.137507  0.278341  1
  C  C146  1  0.461702  0.359796  0.323356  1
  C  C147  1  0.531706  0.859145  0.363961  1
  C  C148  1  0.959082  0.642094  0.318566  1
  C  C149  1  0.963935  0.858953  0.363821  1
  C  C150  1  0.527466  0.637198  0.319349  1
  C  C151  1  0.459686  0.145071  0.277510  1
  C  C152  1  0.030662  0.362259  0.322538  1
  C  C153  1  0.748821  0.074494  0.413254  1
  C  C154  1  0.752997  0.422589  0.367907  1
  C  C155  1  0.248693  0.922068  0.409793  1
  C  C156  1  0.249179  0.575585  0.455333  1
  C  C157  1  0.031278  0.136719  0.367878  1
  C  C158  1  0.464017  0.358962  0.413295  1
  C  C159  1  0.534001  0.858489  0.455498  1
  C  C160  1  0.963485  0.638749  0.410030  1
  C  C161  1  0.964057  0.858557  0.455488  1
  C  C162  1  0.533971  0.638682  0.410110  1
  C  C163  1  0.465581  0.137538  0.367923  1
  C  C164  1  0.033866  0.358570  0.413290  1
  C  C165  1  0.749132  0.075095  0.504508  1
  C  C166  1  0.749201  0.421705  0.458989  1
  C  C167  1  0.249370  0.921950  0.500859  1
  C  C168  1  0.249369  0.575365  0.546332  1
  C  C169  1  0.033712  0.138391  0.458839  1
  C  C170  1  0.464212  0.358509  0.504276  1
  C  C171  1  0.533879  0.858628  0.546554  1
  C  C172  1  0.964063  0.638514  0.501061  1
  C  C173  1  0.964825  0.858658  0.546526  1
  C  C174  1  0.534540  0.638497  0.501095  1
  C  C175  1  0.464629  0.138447  0.458786  1
  C  C176  1  0.034526  0.358528  0.504285  1
  C  C177  1  0.749629  0.075150  0.595525  1
  C  C178  1  0.749573  0.421543  0.550046  1
  C  C179  1  0.249325  0.922688  0.592096  1
  C  C180  1  0.245231  0.574670  0.637444  1
  C  C181  1  0.034518  0.138551  0.549864  1
  C  C182  1  0.464285  0.358557  0.595245  1
  C  C183  1  0.532598  0.859772  0.637398  1
  C  C184  1  0.964504  0.638587  0.592056  1
  C  C185  1  0.966721  0.860502  0.637464  1
  C  C186  1  0.534362  0.638232  0.592055  1
  C  C187  1  0.464529  0.138624  0.549850  1
  C  C188  1  0.034955  0.358467  0.595301  1
  C  C189  1  0.747773  0.071952  0.687198  1
  C  C190  1  0.749760  0.420140  0.640759  1
  C  C191  1  0.248984  0.923554  0.683754  1
  C  C192  1  0.243698  0.575566  0.728052  1
  C  C193  1  0.034169  0.138335  0.641512  1
  C  C194  1  0.470718  0.360110  0.686003  1
  C  C195  1  0.538150  0.852225  0.727806  1
  C  C196  1  0.967361  0.635050  0.682800  1
  C  C197  1  0.954641  0.860075  0.727027  1
  C  C198  1  0.536429  0.637535  0.681980  1
  C  C199  1  0.466473  0.138052  0.641372  1
  C  C200  1  0.039086  0.355171  0.686774  1
