# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.62619903
_cell_length_b   7.85726202
_cell_length_c   46.67669355
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   137.73270253
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe112 C48'
_cell_volume   2867.87117708
_cell_formula_units_Z   16
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  0.129553  0.144099  0.291980  1
  Fe  Fe2  1  0.062470  0.576085  0.299586  1
  Fe  Fe3  1  0.470863  0.831683  0.294019  1
  Fe  Fe4  1  0.748654  0.261645  0.303787  1
  Fe  Fe5  1  0.495550  0.111681  0.323298  1
  Fe  Fe6  1  0.918614  0.709204  0.310024  1
  Fe  Fe7  1  0.668213  0.565357  0.331516  1
  Fe  Fe8  1  0.642871  0.412338  0.282161  1
  Fe  Fe9  1  0.657176  0.866019  0.328368  1
  Fe  Fe10  1  0.635733  0.709039  0.282335  1
  Fe  Fe11  1  0.161026  0.429386  0.319652  1
  Fe  Fe12  1  0.229254  0.007055  0.310975  1
  Fe  Fe13  1  0.905507  0.131653  0.288773  1
  Fe  Fe14  1  0.385063  0.431417  0.321037  1
  Fe  Fe15  1  0.416163  0.724922  0.347153  1
  Fe  Fe16  1  0.360835  0.166281  0.356354  1
  Fe  Fe17  1  0.766856  0.408376  0.351170  1
  Fe  Fe18  1  0.048242  0.853149  0.358889  1
  Fe  Fe19  1  0.792871  0.708712  0.379336  1
  Fe  Fe20  1  0.208333  0.299188  0.367033  1
  Fe  Fe21  1  0.955713  0.154288  0.387008  1
  Fe  Fe22  1  0.942184  0.003305  0.339578  1
  Fe  Fe23  1  0.955405  0.464454  0.383867  1
  Fe  Fe24  1  0.923555  0.293574  0.337860  1
  Fe  Fe25  1  0.460074  0.026347  0.375032  1
  Fe  Fe26  1  0.520073  0.591233  0.366448  1
  Fe  Fe27  1  0.196647  0.727564  0.347281  1
  Fe  Fe28  1  0.678268  0.024818  0.374806  1
  Fe  Fe29  1  0.716143  0.325425  0.402837  1
  Fe  Fe30  1  0.657868  0.763225  0.411803  1
  Fe  Fe31  1  0.063527  0.006759  0.406935  1
  Fe  Fe32  1  0.347237  0.451898  0.414563  1
  Fe  Fe33  1  0.092834  0.306786  0.434635  1
  Fe  Fe34  1  0.508775  0.896306  0.422019  1
  Fe  Fe35  1  0.254224  0.750450  0.442321  1
  Fe  Fe36  1  0.238624  0.598334  0.394368  1
  Fe  Fe37  1  0.253573  0.060370  0.439432  1
  Fe  Fe38  1  0.221562  0.890384  0.394065  1
  Fe  Fe39  1  0.758716  0.624411  0.430611  1
  Fe  Fe40  1  0.817996  0.189258  0.421803  1
  Fe  Fe41  1  0.494388  0.321593  0.402119  1
  Fe  Fe42  1  0.976720  0.621017  0.430200  1
  Fe  Fe43  1  0.014376  0.922414  0.458410  1
  Fe  Fe44  1  0.955434  0.358156  0.467202  1
  Fe  Fe45  1  0.361903  0.603157  0.462553  1
  Fe  Fe46  1  0.644824  0.048844  0.470158  1
  Fe  Fe47  1  0.390600  0.902259  0.490147  1
  Fe  Fe48  1  0.807176  0.493804  0.477692  1
  Fe  Fe49  1  0.552285  0.347014  0.497865  1
  Fe  Fe50  1  0.536860  0.195299  0.449903  1
  Fe  Fe51  1  0.551776  0.657037  0.495077  1
  Fe  Fe52  1  0.519995  0.487557  0.449529  1
  Fe  Fe53  1  0.056985  0.220903  0.486085  1
  Fe  Fe54  1  0.115924  0.785704  0.477290  1
  Fe  Fe55  1  0.792611  0.919536  0.458194  1
  Fe  Fe56  1  0.275261  0.217656  0.485801  1
  Fe  Fe57  1  0.312652  0.519203  0.513986  1
  Fe  Fe58  1  0.252832  0.952939  0.522702  1
  Fe  Fe59  1  0.660373  0.200964  0.517815  1
  Fe  Fe60  1  0.942017  0.644362  0.525597  1
  Fe  Fe61  1  0.686523  0.496442  0.546095  1
  Fe  Fe62  1  0.105257  0.089809  0.533318  1
  Fe  Fe63  1  0.851319  0.942720  0.553347  1
  Fe  Fe64  1  0.834952  0.791204  0.505507  1
  Fe  Fe65  1  0.848186  0.251026  0.550340  1
  Fe  Fe66  1  0.818175  0.083913  0.505084  1
  Fe  Fe67  1  0.354626  0.816350  0.541672  1
  Fe  Fe68  1  0.414178  0.381247  0.532873  1
  Fe  Fe69  1  0.091056  0.515716  0.513613  1
  Fe  Fe70  1  0.574135  0.814805  0.541384  1
  Fe  Fe71  1  0.609252  0.113662  0.569278  1
  Fe  Fe72  1  0.554520  0.555257  0.578528  1
  Fe  Fe73  1  0.958697  0.794152  0.573944  1
  Fe  Fe74  1  0.243933  0.242167  0.581115  1
  Fe  Fe75  1  0.990206  0.099280  0.601126  1
  Fe  Fe76  1  0.402003  0.684983  0.588861  1
  Fe  Fe77  1  0.145621  0.539980  0.609018  1
  Fe  Fe78  1  0.133670  0.387312  0.560974  1
  Fe  Fe79  1  0.151326  0.854216  0.606388  1
  Fe  Fe80  1  0.114949  0.677730  0.560369  1
  Fe  Fe81  1  0.657138  0.418160  0.597661  1
  Fe  Fe82  1  0.711789  0.977883  0.588121  1
  Fe  Fe83  1  0.388748  0.111053  0.569064  1
  Fe  Fe84  1  0.871035  0.409037  0.596763  1
  Fe  Fe85  1  0.911990  0.717839  0.625530  1
  Fe  Fe86  1  0.849593  0.147087  0.633386  1
  Fe  Fe87  1  0.257015  0.397916  0.628596  1
  Fe  Fe88  1  0.538238  0.838477  0.636800  1
  Fe  Fe89  1  0.287344  0.692580  0.656089  1
  Fe  Fe90  1  0.705690  0.287263  0.643881  1
  Fe  Fe91  1  0.451825  0.136746  0.664774  1
  Fe  Fe92  1  0.431967  0.987806  0.616168  1
  Fe  Fe93  1  0.441794  0.438503  0.661142  1
  Fe  Fe94  1  0.417891  0.280980  0.616393  1
  Fe  Fe95  1  0.950367  0.009876  0.652280  1
  Fe  Fe96  1  0.013818  0.580950  0.644590  1
  Fe  Fe97  1  0.687960  0.709557  0.624746  1
  Fe  Fe98  1  0.171673  0.010025  0.652606  1
  Fe  Fe99  1  0.204968  0.302440  0.679967  1
  Fe  Fe100  1  0.146413  0.735921  0.689407  1
  Fe  Fe101  1  0.556651  0.983941  0.685181  1
  Fe  Fe102  1  0.841237  0.435708  0.692073  1
  Fe  Fe103  1  0.562777  0.273982  0.714756  1
  Fe  Fe104  1  0.993747  0.876330  0.700661  1
  Fe  Fe105  1  0.741935  0.736918  0.719576  1
  Fe  Fe106  1  0.729379  0.577974  0.672874  1
  Fe  Fe107  1  0.734731  0.030319  0.716817  1
  Fe  Fe108  1  0.710658  0.870362  0.670710  1
  Fe  Fe109  1  0.244875  0.595488  0.708169  1
  Fe  Fe110  1  0.308247  0.161544  0.699075  1
  Fe  Fe111  1  0.987263  0.310294  0.680315  1
  Fe  Fe112  1  0.469739  0.608411  0.708115  1
  C  C113  1  0.825908  0.831671  0.304097  1
  C  C114  1  0.471218  0.310631  0.307809  1
  C  C115  1  0.155313  0.122886  0.332100  1
  C  C116  1  0.292722  0.773246  0.310728  1
  C  C117  1  0.692562  0.008893  0.279958  1
  C  C118  1  0.343185  0.490606  0.284543  1
  C  C119  1  0.115027  0.419230  0.359542  1
  C  C120  1  0.761509  0.896860  0.362928  1
  C  C121  1  0.451607  0.716645  0.387146  1
  C  C122  1  0.594513  0.371135  0.365880  1
  C  C123  1  0.986167  0.598025  0.334494  1
  C  C124  1  0.627572  0.069482  0.338206  1
  C  C125  1  0.414908  0.015996  0.414990  1
  C  C126  1  0.059851  0.492984  0.418259  1
  C  C127  1  0.750195  0.314426  0.442811  1
  C  C128  1  0.891139  0.968836  0.421774  1
  C  C129  1  0.282696  0.193392  0.390499  1
  C  C130  1  0.927397  0.669709  0.393741  1
  C  C131  1  0.712955  0.612827  0.470563  1
  C  C132  1  0.357921  0.088982  0.473835  1
  C  C133  1  0.048569  0.911243  0.498375  1
  C  C134  1  0.188974  0.564939  0.477121  1
  C  C135  1  0.581351  0.790890  0.446158  1
  C  C136  1  0.226144  0.266342  0.449317  1
  C  C137  1  0.011276  0.209054  0.526050  1
  C  C138  1  0.656095  0.685074  0.529444  1
  C  C139  1  0.347522  0.507925  0.553909  1
  C  C140  1  0.486519  0.160102  0.532554  1
  C  C141  1  0.879952  0.387540  0.501577  1
  C  C142  1  0.524504  0.863220  0.504947  1
  C  C143  1  0.307587  0.803499  0.581581  1
  C  C144  1  0.953813  0.280837  0.584617  1
  C  C145  1  0.643935  0.102670  0.609217  1
  C  C146  1  0.787967  0.761164  0.588410  1
  C  C147  1  0.177182  0.981806  0.557097  1
  C  C148  1  0.821441  0.457682  0.560328  1
  C  C149  1  0.610144  0.405133  0.637574  1
  C  C150  1  0.255797  0.883236  0.640803  1
  C  C151  1  0.945312  0.705443  0.665506  1
  C  C152  1  0.082726  0.354723  0.643730  1
  C  C153  1  0.477054  0.582326  0.612789  1
  C  C154  1  0.123993  0.060514  0.616091  1
  C  C155  1  0.903810  0.999866  0.692133  1
  C  C156  1  0.548102  0.474353  0.695713  1
  C  C157  1  0.244063  0.293130  0.719681  1
  C  C158  1  0.380116  0.940310  0.698846  1
  C  C159  1  0.774923  0.176401  0.667890  1
  C  C160  1  0.417130  0.647360  0.671308  1
