# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71120695
_cell_length_b   12.46075620
_cell_length_c   49.88786676
_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   'Fe112 C48'
_cell_volume   2928.67725866
_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  0.619798  0.888341  0.372871  1
  Fe  Fe2  1  0.126646  0.982006  0.292721  1
  Fe  Fe3  1  0.384594  0.314767  0.361814  1
  Fe  Fe4  1  0.869123  0.557077  0.302437  1
  Fe  Fe5  1  0.234017  0.973651  0.339267  1
  Fe  Fe6  1  0.740324  0.896418  0.328299  1
  Fe  Fe7  1  0.761113  0.396418  0.328299  1
  Fe  Fe8  1  0.267421  0.473651  0.339267  1
  Fe  Fe9  1  0.237174  0.809443  0.313894  1
  Fe  Fe10  1  0.750360  0.063776  0.352257  1
  Fe  Fe11  1  0.751078  0.563776  0.352257  1
  Fe  Fe12  1  0.264264  0.309443  0.313894  1
  Fe  Fe13  1  0.407057  0.662517  0.291311  1
  Fe  Fe14  1  0.915237  0.209101  0.374715  1
  Fe  Fe15  1  0.586200  0.709101  0.374715  1
  Fe  Fe16  1  0.094381  0.162517  0.291311  1
  Fe  Fe17  1  0.116843  0.814767  0.361814  1
  Fe  Fe18  1  0.632315  0.057077  0.302437  1
  Fe  Fe19  1  0.881639  0.388341  0.372871  1
  Fe  Fe20  1  0.374792  0.482006  0.292721  1
  Fe  Fe21  1  0.749226  0.709193  0.326015  1
  Fe  Fe22  1  0.257315  0.159560  0.340098  1
  Fe  Fe23  1  0.244119  0.563634  0.379712  1
  Fe  Fe24  1  0.737706  0.312086  0.285789  1
  Fe  Fe25  1  0.244123  0.659560  0.340098  1
  Fe  Fe26  1  0.752212  0.209193  0.326015  1
  Fe  Fe27  1  0.763732  0.812086  0.285789  1
  Fe  Fe28  1  0.257319  0.063634  0.379712  1
  Fe  Fe29  1  0.619795  0.615921  0.484017  1
  Fe  Fe30  1  0.118520  0.710088  0.404094  1
  Fe  Fe31  1  0.382046  0.042479  0.472774  1
  Fe  Fe32  1  0.881444  0.283648  0.415476  1
  Fe  Fe33  1  0.232406  0.700445  0.449965  1
  Fe  Fe34  1  0.730218  0.625288  0.438333  1
  Fe  Fe35  1  0.771220  0.125288  0.438333  1
  Fe  Fe36  1  0.269032  0.200445  0.449965  1
  Fe  Fe37  1  0.245287  0.535228  0.424642  1
  Fe  Fe38  1  0.744632  0.790730  0.463643  1
  Fe  Fe39  1  0.756806  0.290730  0.463643  1
  Fe  Fe40  1  0.256151  0.035228  0.424642  1
  Fe  Fe41  1  0.412465  0.389114  0.402507  1
  Fe  Fe42  1  0.912784  0.936642  0.485939  1
  Fe  Fe43  1  0.588654  0.436642  0.485939  1
  Fe  Fe44  1  0.088972  0.889114  0.402507  1
  Fe  Fe45  1  0.119391  0.542479  0.472774  1
  Fe  Fe46  1  0.619994  0.783648  0.415476  1
  Fe  Fe47  1  0.881642  0.115921  0.484017  1
  Fe  Fe48  1  0.382918  0.210088  0.404094  1
  Fe  Fe49  1  0.754753  0.437905  0.436976  1
  Fe  Fe50  1  0.255211  0.887606  0.451315  1
  Fe  Fe51  1  0.245930  0.291128  0.490871  1
  Fe  Fe52  1  0.745923  0.035261  0.397514  1
  Fe  Fe53  1  0.246227  0.387606  0.451315  1
  Fe  Fe54  1  0.746685  0.937905  0.436976  1
  Fe  Fe55  1  0.755515  0.535261  0.397514  1
  Fe  Fe56  1  0.255508  0.791128  0.490871  1
  Fe  Fe57  1  0.618520  0.343968  0.595323  1
  Fe  Fe58  1  0.119795  0.438136  0.515400  1
  Fe  Fe59  1  0.381444  0.770408  0.583941  1
  Fe  Fe60  1  0.882046  0.011577  0.526643  1
  Fe  Fe61  1  0.230218  0.428768  0.561084  1
  Fe  Fe62  1  0.732406  0.353611  0.549452  1
  Fe  Fe63  1  0.769032  0.853611  0.549452  1
  Fe  Fe64  1  0.271220  0.928768  0.561084  1
  Fe  Fe65  1  0.244632  0.263327  0.535774  1
  Fe  Fe66  1  0.745287  0.518828  0.574775  1
  Fe  Fe67  1  0.756151  0.018828  0.574775  1
  Fe  Fe68  1  0.256806  0.763327  0.535774  1
  Fe  Fe69  1  0.412784  0.117414  0.513478  1
  Fe  Fe70  1  0.912465  0.664942  0.596910  1
  Fe  Fe71  1  0.588972  0.164942  0.596910  1
  Fe  Fe72  1  0.088654  0.617414  0.513478  1
  Fe  Fe73  1  0.119994  0.270408  0.583941  1
  Fe  Fe74  1  0.619391  0.511577  0.526643  1
  Fe  Fe75  1  0.882918  0.843968  0.595323  1
  Fe  Fe76  1  0.381642  0.938136  0.515400  1
  Fe  Fe77  1  0.755211  0.166450  0.548103  1
  Fe  Fe78  1  0.254753  0.616151  0.562441  1
  Fe  Fe79  1  0.245923  0.018795  0.601903  1
  Fe  Fe80  1  0.745930  0.762928  0.508546  1
  Fe  Fe81  1  0.246685  0.116151  0.562441  1
  Fe  Fe82  1  0.746227  0.666450  0.548103  1
  Fe  Fe83  1  0.755508  0.262928  0.508546  1
  Fe  Fe84  1  0.255515  0.518795  0.601903  1
  Fe  Fe85  1  0.626646  0.072050  0.706696  1
  Fe  Fe86  1  0.119798  0.165715  0.626546  1
  Fe  Fe87  1  0.369123  0.496979  0.696980  1
  Fe  Fe88  1  0.884594  0.739290  0.637603  1
  Fe  Fe89  1  0.240324  0.157638  0.671118  1
  Fe  Fe90  1  0.734017  0.080405  0.660151  1
  Fe  Fe91  1  0.767421  0.580405  0.660151  1
  Fe  Fe92  1  0.261113  0.657638  0.671118  1
  Fe  Fe93  1  0.250360  0.990280  0.647160  1
  Fe  Fe94  1  0.737174  0.244613  0.685523  1
  Fe  Fe95  1  0.764264  0.744613  0.685523  1
  Fe  Fe96  1  0.251078  0.490280  0.647160  1
  Fe  Fe97  1  0.415237  0.844955  0.624702  1
  Fe  Fe98  1  0.907057  0.391539  0.708106  1
  Fe  Fe99  1  0.594381  0.891539  0.708106  1
  Fe  Fe100  1  0.086200  0.344955  0.624702  1
  Fe  Fe101  1  0.132315  0.996979  0.696980  1
  Fe  Fe102  1  0.616843  0.239290  0.637603  1
  Fe  Fe103  1  0.874792  0.572050  0.706696  1
  Fe  Fe104  1  0.381639  0.665715  0.626546  1
  Fe  Fe105  1  0.757315  0.894496  0.659319  1
  Fe  Fe106  1  0.249226  0.344863  0.673402  1
  Fe  Fe107  1  0.237706  0.741970  0.713628  1
  Fe  Fe108  1  0.744119  0.490423  0.619705  1
  Fe  Fe109  1  0.252212  0.844863  0.673402  1
  Fe  Fe110  1  0.744123  0.394496  0.659319  1
  Fe  Fe111  1  0.757319  0.990423  0.619705  1
  Fe  Fe112  1  0.263732  0.241970  0.713628  1
  C  C113  1  0.485818  0.199284  0.296939  1
  C  C114  1  0.978048  0.672704  0.369143  1
  C  C115  1  0.523390  0.172704  0.369143  1
  C  C116  1  0.015620  0.699284  0.296939  1
  C  C117  1  0.982972  0.957307  0.369410  1
  C  C118  1  0.487764  0.913870  0.298342  1
  C  C119  1  0.021773  0.297332  0.344717  1
  C  C120  1  0.513729  0.572727  0.320997  1
  C  C121  1  0.013674  0.413870  0.298342  1
  C  C122  1  0.518466  0.457307  0.369410  1
  C  C123  1  0.987709  0.072727  0.320997  1
  C  C124  1  0.479665  0.797332  0.344717  1
  C  C125  1  0.481075  0.925458  0.407890  1
  C  C126  1  0.980833  0.400694  0.480411  1
  C  C127  1  0.520605  0.900694  0.480411  1
  C  C128  1  0.020363  0.425458  0.407890  1
  C  C129  1  0.982840  0.684694  0.480247  1
  C  C130  1  0.481925  0.641637  0.407974  1
  C  C131  1  0.018713  0.024397  0.455839  1
  C  C132  1  0.518247  0.300854  0.432510  1
  C  C133  1  0.019512  0.141637  0.407974  1
  C  C134  1  0.518598  0.184694  0.480247  1
  C  C135  1  0.983191  0.800854  0.432510  1
  C  C136  1  0.482725  0.524397  0.455839  1
  C  C137  1  0.480833  0.653362  0.519007  1
  C  C138  1  0.981075  0.128598  0.591528  1
  C  C139  1  0.520363  0.628598  0.591528  1
  C  C140  1  0.020605  0.153362  0.519007  1
  C  C141  1  0.981925  0.412419  0.591443  1
  C  C142  1  0.482840  0.369362  0.519171  1
  C  C143  1  0.018247  0.753203  0.566908  1
  C  C144  1  0.518713  0.029659  0.543578  1
  C  C145  1  0.018598  0.869362  0.519171  1
  C  C146  1  0.519512  0.912419  0.591443  1
  C  C147  1  0.982725  0.529659  0.543578  1
  C  C148  1  0.483191  0.253203  0.566908  1
  C  C149  1  0.478048  0.381352  0.630274  1
  C  C150  1  0.985818  0.854772  0.702479  1
  C  C151  1  0.515620  0.354772  0.702479  1
  C  C152  1  0.023390  0.881352  0.630274  1
  C  C153  1  0.987764  0.140186  0.701076  1
  C  C154  1  0.482972  0.096749  0.630007  1
  C  C155  1  0.013729  0.481329  0.678420  1
  C  C156  1  0.521773  0.756724  0.654700  1
  C  C157  1  0.018466  0.596749  0.630007  1
  C  C158  1  0.513674  0.640186  0.701076  1
  C  C159  1  0.979665  0.256724  0.654700  1
  C  C160  1  0.487709  0.981329  0.678420  1
