# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71402001
_cell_length_b   7.86467028
_cell_length_c   46.74589776
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.70696731
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe84 C36'
_cell_volume   2231.7199872
_cell_formula_units_Z   12
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  0.779143  0.105128  0.336495  1
  Fe  Fe2  1  0.389408  0.872424  0.307985  1
  Fe  Fe3  1  0.575383  0.213608  0.292202  1
  Fe  Fe4  1  0.410945  0.553339  0.309607  1
  Fe  Fe5  1  0.341501  0.316970  0.336059  1
  Fe  Fe6  1  0.097696  0.804213  0.337040  1
  Fe  Fe7  1  0.210786  0.213571  0.292174  1
  Fe  Fe8  1  0.035710  0.553400  0.309623  1
  Fe  Fe9  1  0.826581  0.346613  0.310711  1
  Fe  Fe10  1  0.679579  0.640755  0.332692  1
  Fe  Fe11  1  0.737998  0.872320  0.307984  1
  Fe  Fe12  1  0.115513  0.105123  0.336496  1
  Fe  Fe13  1  0.523785  0.951804  0.352689  1
  Fe  Fe14  1  0.997114  0.005465  0.289099  1
  Fe  Fe15  1  0.613525  0.433026  0.407373  1
  Fe  Fe16  1  0.230720  0.198483  0.379205  1
  Fe  Fe17  1  0.403391  0.556639  0.363242  1
  Fe  Fe18  1  0.239464  0.883572  0.382082  1
  Fe  Fe19  1  0.179402  0.641134  0.407744  1
  Fe  Fe20  1  0.935350  0.128965  0.409775  1
  Fe  Fe21  1  0.039697  0.556575  0.363220  1
  Fe  Fe22  1  0.876882  0.883604  0.382083  1
  Fe  Fe23  1  0.669311  0.661148  0.382983  1
  Fe  Fe24  1  0.515881  0.968137  0.403612  1
  Fe  Fe25  1  0.570575  0.198306  0.379195  1
  Fe  Fe26  1  0.953261  0.433054  0.407387  1
  Fe  Fe27  1  0.356632  0.286171  0.422562  1
  Fe  Fe28  1  0.828556  0.342943  0.362990  1
  Fe  Fe29  1  0.446720  0.764987  0.478862  1
  Fe  Fe30  1  0.065155  0.529081  0.450728  1
  Fe  Fe31  1  0.239231  0.886935  0.434756  1
  Fe  Fe32  1  0.074819  0.214969  0.453228  1
  Fe  Fe33  1  0.013873  0.972188  0.479040  1
  Fe  Fe34  1  0.769357  0.460944  0.480473  1
  Fe  Fe35  1  0.873576  0.886883  0.434737  1
  Fe  Fe36  1  0.710066  0.214989  0.453223  1
  Fe  Fe37  1  0.503884  0.992038  0.454456  1
  Fe  Fe38  1  0.349692  0.300479  0.474991  1
  Fe  Fe39  1  0.405507  0.528856  0.450711  1
  Fe  Fe40  1  0.788120  0.765035  0.478881  1
  Fe  Fe41  1  0.191883  0.615668  0.493881  1
  Fe  Fe42  1  0.663385  0.673263  0.434640  1
  Fe  Fe43  1  0.282018  0.094441  0.550137  1
  Fe  Fe44  1  0.900546  0.858513  0.522008  1
  Fe  Fe45  1  0.072042  0.217744  0.506216  1
  Fe  Fe46  1  0.908279  0.544424  0.524732  1
  Fe  Fe47  1  0.849666  0.300620  0.550738  1
  Fe  Fe48  1  0.604508  0.790625  0.551875  1
  Fe  Fe49  1  0.709989  0.217722  0.506196  1
  Fe  Fe50  1  0.547118  0.544444  0.524723  1
  Fe  Fe51  1  0.338925  0.321974  0.525822  1
  Fe  Fe52  1  0.185053  0.629742  0.546198  1
  Fe  Fe53  1  0.240685  0.858279  0.521990  1
  Fe  Fe54  1  0.623381  0.094489  0.550154  1
  Fe  Fe55  1  0.027322  0.944769  0.565382  1
  Fe  Fe56  1  0.498121  0.003769  0.505933  1
  Fe  Fe57  1  0.116770  0.426695  0.622166  1
  Fe  Fe58  1  0.733674  0.190890  0.593647  1
  Fe  Fe59  1  0.908321  0.547170  0.577672  1
  Fe  Fe60  1  0.744947  0.876929  0.595952  1
  Fe  Fe61  1  0.681891  0.636193  0.621429  1
  Fe  Fe62  1  0.437088  0.125538  0.623008  1
  Fe  Fe63  1  0.544320  0.547162  0.577648  1
  Fe  Fe64  1  0.377999  0.876931  0.595940  1
  Fe  Fe65  1  0.173816  0.652153  0.597146  1
  Fe  Fe66  1  0.018538  0.962780  0.618185  1
  Fe  Fe67  1  0.075142  0.190634  0.593615  1
  Fe  Fe68  1  0.456387  0.426712  0.622186  1
  Fe  Fe69  1  0.861403  0.276671  0.637034  1
  Fe  Fe70  1  0.332989  0.334051  0.577298  1
  Fe  Fe71  1  0.954452  0.752609  0.692260  1
  Fe  Fe72  1  0.573969  0.515839  0.664148  1
  Fe  Fe73  1  0.739245  0.879294  0.648757  1
  Fe  Fe74  1  0.576437  0.203972  0.667774  1
  Fe  Fe75  1  0.525212  0.949594  0.695294  1
  Fe  Fe76  1  0.278636  0.442495  0.695612  1
  Fe  Fe77  1  0.381047  0.879260  0.648743  1
  Fe  Fe78  1  0.219484  0.203927  0.667753  1
  Fe  Fe79  1  0.006431  0.987134  0.668690  1
  Fe  Fe80  1  0.857357  0.285101  0.689872  1
  Fe  Fe81  1  0.909819  0.515661  0.664123  1
  Fe  Fe82  1  0.292703  0.752744  0.692352  1
  Fe  Fe83  1  0.695044  0.609531  0.708261  1
  Fe  Fe84  1  0.167274  0.665541  0.648735  1
  C  C85  1  0.828582  0.786057  0.346371  1
  C  C86  1  0.033764  0.371033  0.336889  1
  C  C87  1  0.129775  0.740315  0.297093  1
  C  C88  1  0.460148  0.079438  0.316459  1
  C  C89  1  0.385112  0.785943  0.346353  1
  C  C90  1  0.595053  0.371107  0.336914  1
  C  C91  1  0.661449  0.115322  0.417712  1
  C  C92  1  0.870557  0.699118  0.408635  1
  C  C93  1  0.961926  0.075943  0.369474  1
  C  C94  1  0.294232  0.411305  0.386107  1
  C  C95  1  0.222956  0.115229  0.417706  1
  C  C96  1  0.430188  0.699137  0.408659  1
  C  C97  1  0.497277  0.445874  0.489187  1
  C  C98  1  0.704768  0.031236  0.480013  1
  C  C99  1  0.797150  0.405434  0.440234  1
  C  C100  1  0.128941  0.741900  0.457511  1
  C  C101  1  0.056560  0.445787  0.489187  1
  C  C102  1  0.263876  0.031230  0.480033  1
  C  C103  1  0.332533  0.775064  0.560459  1
  C  C104  1  0.540215  0.360648  0.551379  1
  C  C105  1  0.631859  0.735997  0.511605  1
  C  C106  1  0.964361  0.071077  0.529015  1
  C  C107  1  0.892097  0.774974  0.560459  1
  C  C108  1  0.099036  0.360642  0.551398  1
  C  C109  1  0.166960  0.108172  0.632108  1
  C  C110  1  0.373483  0.692887  0.622728  1
  C  C111  1  0.466772  0.066202  0.582893  1
  C  C112  1  0.798439  0.402924  0.600671  1
  C  C113  1  0.724615  0.108076  0.632123  1
  C  C114  1  0.933523  0.692919  0.622756  1
  C  C115  1  0.998972  0.437941  0.702847  1
  C  C116  1  0.214088  0.017889  0.694059  1
  C  C117  1  0.300669  0.398369  0.655031  1
  C  C118  1  0.635056  0.729533  0.671397  1
  C  C119  1  0.562826  0.437951  0.702869  1
  C  C120  1  0.768047  0.017801  0.694063  1
