# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79963711
_cell_length_b   12.70462763
_cell_length_c   48.05573073
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe120 C48'
_cell_volume   2930.32323658
_cell_formula_units_Z   24
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  0.563410  0.717064  0.284205  1
  Fe  Fe2  1  0.081714  0.395794  0.279532  1
  Fe  Fe3  1  0.402891  0.533880  0.288992  1
  Fe  Fe4  1  0.876518  0.571619  0.276145  1
  Fe  Fe5  1  0.103319  0.676509  0.314859  1
  Fe  Fe6  1  0.614963  0.639284  0.327232  1
  Fe  Fe7  1  0.421207  0.814731  0.323123  1
  Fe  Fe8  1  0.930054  0.495352  0.319366  1
  Fe  Fe9  1  0.026698  0.800455  0.281922  1
  Fe  Fe10  1  0.974628  0.908158  0.321206  1
  Fe  Fe11  1  0.063410  0.217064  0.284205  1
  Fe  Fe12  1  0.581714  0.895794  0.279532  1
  Fe  Fe13  1  0.902891  0.033880  0.288992  1
  Fe  Fe14  1  0.376518  0.071619  0.276145  1
  Fe  Fe15  1  0.603319  0.176509  0.314859  1
  Fe  Fe16  1  0.114963  0.139284  0.327232  1
  Fe  Fe17  1  0.921207  0.314731  0.323123  1
  Fe  Fe18  1  0.430054  0.995352  0.319366  1
  Fe  Fe19  1  0.526698  0.300455  0.281922  1
  Fe  Fe20  1  0.474628  0.408158  0.321206  1
  Fe  Fe21  1  0.573702  0.923798  0.361082  1
  Fe  Fe22  1  0.076588  0.602671  0.357425  1
  Fe  Fe23  1  0.394014  0.744572  0.365951  1
  Fe  Fe24  1  0.889700  0.781001  0.352361  1
  Fe  Fe25  1  0.108433  0.886418  0.391495  1
  Fe  Fe26  1  0.608767  0.849284  0.404297  1
  Fe  Fe27  1  0.424425  0.027989  0.399776  1
  Fe  Fe28  1  0.924030  0.708094  0.395903  1
  Fe  Fe29  1  0.022025  0.012737  0.359290  1
  Fe  Fe30  1  0.976470  0.117905  0.397792  1
  Fe  Fe31  1  0.073702  0.423798  0.361082  1
  Fe  Fe32  1  0.576588  0.102671  0.357425  1
  Fe  Fe33  1  0.894014  0.244572  0.365951  1
  Fe  Fe34  1  0.389700  0.281001  0.352361  1
  Fe  Fe35  1  0.608433  0.386418  0.391495  1
  Fe  Fe36  1  0.108767  0.349284  0.404297  1
  Fe  Fe37  1  0.924425  0.527989  0.399776  1
  Fe  Fe38  1  0.424030  0.208094  0.395903  1
  Fe  Fe39  1  0.522025  0.512737  0.359290  1
  Fe  Fe40  1  0.476470  0.617905  0.397792  1
  Fe  Fe41  1  0.574903  0.133264  0.438165  1
  Fe  Fe42  1  0.074138  0.812892  0.434428  1
  Fe  Fe43  1  0.390315  0.954882  0.442799  1
  Fe  Fe44  1  0.890842  0.991746  0.429719  1
  Fe  Fe45  1  0.108296  0.097024  0.468267  1
  Fe  Fe46  1  0.607738  0.060092  0.481269  1
  Fe  Fe47  1  0.424223  0.238835  0.476654  1
  Fe  Fe48  1  0.923655  0.918585  0.472859  1
  Fe  Fe49  1  0.022221  0.223305  0.436306  1
  Fe  Fe50  1  0.976210  0.328536  0.474760  1
  Fe  Fe51  1  0.074903  0.633264  0.438165  1
  Fe  Fe52  1  0.574138  0.312892  0.434428  1
  Fe  Fe53  1  0.890315  0.454882  0.442799  1
  Fe  Fe54  1  0.390842  0.491746  0.429719  1
  Fe  Fe55  1  0.608296  0.597024  0.468267  1
  Fe  Fe56  1  0.107738  0.560092  0.481269  1
  Fe  Fe57  1  0.924223  0.738835  0.476654  1
  Fe  Fe58  1  0.423655  0.418585  0.472859  1
  Fe  Fe59  1  0.522221  0.723305  0.436306  1
  Fe  Fe60  1  0.476210  0.828536  0.474760  1
  Fe  Fe61  1  0.574752  0.343861  0.515141  1
  Fe  Fe62  1  0.074184  0.023611  0.511346  1
  Fe  Fe63  1  0.390111  0.165422  0.519732  1
  Fe  Fe64  1  0.890670  0.202355  0.506730  1
  Fe  Fe65  1  0.108093  0.307564  0.545200  1
  Fe  Fe66  1  0.607566  0.270700  0.558280  1
  Fe  Fe67  1  0.424270  0.449554  0.553571  1
  Fe  Fe68  1  0.923505  0.129183  0.549834  1
  Fe  Fe69  1  0.022198  0.433910  0.513239  1
  Fe  Fe70  1  0.976186  0.539142  0.551693  1
  Fe  Fe71  1  0.074752  0.843861  0.515141  1
  Fe  Fe72  1  0.574184  0.523611  0.511346  1
  Fe  Fe73  1  0.890111  0.665422  0.519732  1
  Fe  Fe74  1  0.390670  0.702355  0.506730  1
  Fe  Fe75  1  0.608093  0.807564  0.545200  1
  Fe  Fe76  1  0.107566  0.770700  0.558280  1
  Fe  Fe77  1  0.924270  0.949554  0.553571  1
  Fe  Fe78  1  0.423505  0.629183  0.549834  1
  Fe  Fe79  1  0.522198  0.933910  0.513239  1
  Fe  Fe80  1  0.476186  0.039142  0.551693  1
  Fe  Fe81  1  0.574377  0.554352  0.592097  1
  Fe  Fe82  1  0.073983  0.234457  0.588223  1
  Fe  Fe83  1  0.389974  0.376028  0.596505  1
  Fe  Fe84  1  0.889641  0.413162  0.583703  1
  Fe  Fe85  1  0.104393  0.517874  0.622048  1
  Fe  Fe86  1  0.608707  0.481445  0.635638  1
  Fe  Fe87  1  0.421820  0.659775  0.630574  1
  Fe  Fe88  1  0.924706  0.338648  0.626918  1
  Fe  Fe89  1  0.021938  0.644541  0.590208  1
  Fe  Fe90  1  0.976383  0.749709  0.628709  1
  Fe  Fe91  1  0.074377  0.054352  0.592097  1
  Fe  Fe92  1  0.573983  0.734457  0.588223  1
  Fe  Fe93  1  0.889974  0.876028  0.596505  1
  Fe  Fe94  1  0.389641  0.913162  0.583703  1
  Fe  Fe95  1  0.604393  0.017874  0.622048  1
  Fe  Fe96  1  0.108707  0.981445  0.635638  1
  Fe  Fe97  1  0.921820  0.159775  0.630574  1
  Fe  Fe98  1  0.424706  0.838648  0.626918  1
  Fe  Fe99  1  0.521938  0.144541  0.590208  1
  Fe  Fe100  1  0.476383  0.249709  0.628709  1
  Fe  Fe101  1  0.568354  0.767095  0.668634  1
  Fe  Fe102  1  0.077201  0.447715  0.664876  1
  Fe  Fe103  1  0.395088  0.585938  0.673140  1
  Fe  Fe104  1  0.883445  0.623162  0.660767  1
  Fe  Fe105  1  0.095517  0.728566  0.699007  1
  Fe  Fe106  1  0.621890  0.690827  0.711854  1
  Fe  Fe107  1  0.416693  0.866652  0.708467  1
  Fe  Fe108  1  0.934997  0.545382  0.703794  1
  Fe  Fe109  1  0.023779  0.854289  0.666793  1
  Fe  Fe110  1  0.971709  0.961991  0.706077  1
  Fe  Fe111  1  0.068354  0.267095  0.668634  1
  Fe  Fe112  1  0.577201  0.947715  0.664876  1
  Fe  Fe113  1  0.895088  0.085938  0.673140  1
  Fe  Fe114  1  0.383445  0.123162  0.660767  1
  Fe  Fe115  1  0.595517  0.228566  0.699007  1
  Fe  Fe116  1  0.121890  0.190827  0.711854  1
  Fe  Fe117  1  0.916693  0.366652  0.708467  1
  Fe  Fe118  1  0.434997  0.045382  0.703794  1
  Fe  Fe119  1  0.523779  0.354289  0.666793  1
  Fe  Fe120  1  0.471709  0.461991  0.706077  1
  C  C121  1  0.297300  0.547192  0.327426  1
  C  C122  1  0.793105  0.772073  0.313582  1
  C  C123  1  0.201007  0.660135  0.276330  1
  C  C124  1  0.710193  0.436853  0.289742  1
  C  C125  1  0.797300  0.047192  0.327426  1
  C  C126  1  0.293105  0.272073  0.313582  1
  C  C127  1  0.701007  0.160135  0.276330  1
  C  C128  1  0.210193  0.936853  0.289742  1
  C  C129  1  0.293795  0.755861  0.404567  1
  C  C130  1  0.793777  0.979952  0.391028  1
  C  C131  1  0.204280  0.874630  0.352785  1
  C  C132  1  0.706142  0.649794  0.366092  1
  C  C133  1  0.793795  0.255861  0.404567  1
  C  C134  1  0.293777  0.479952  0.391028  1
  C  C135  1  0.704280  0.374630  0.352785  1
  C  C136  1  0.206142  0.149794  0.366092  1
  C  C137  1  0.293548  0.966295  0.481503  1
  C  C138  1  0.793759  0.190648  0.468036  1
  C  C139  1  0.204841  0.085644  0.429557  1
  C  C140  1  0.704564  0.861121  0.443017  1
  C  C141  1  0.793548  0.466295  0.481503  1
  C  C142  1  0.293759  0.690648  0.468036  1
  C  C143  1  0.704841  0.585644  0.429557  1
  C  C144  1  0.204564  0.361121  0.443017  1
  C  C145  1  0.293567  0.176802  0.558442  1
  C  C146  1  0.793843  0.401325  0.544983  1
  C  C147  1  0.204859  0.296151  0.506496  1
  C  C148  1  0.704649  0.071799  0.519963  1
  C  C149  1  0.793567  0.676802  0.558442  1
  C  C150  1  0.293843  0.901325  0.544983  1
  C  C151  1  0.704859  0.796151  0.506496  1
  C  C152  1  0.204649  0.571799  0.519963  1
  C  C153  1  0.294128  0.387816  0.635214  1
  C  C154  1  0.792265  0.612652  0.621907  1
  C  C155  1  0.204612  0.506585  0.583432  1
  C  C156  1  0.704631  0.282494  0.596971  1
  C  C157  1  0.794128  0.887816  0.635214  1
  C  C158  1  0.292265  0.112652  0.621907  1
  C  C159  1  0.704612  1.006585  0.583432  1
  C  C160  1  0.204631  0.782494  0.596971  1
  C  C161  1  0.297401  0.602311  0.711670  1
  C  C162  1  0.788214  0.825593  0.698258  1
  C  C163  1  0.201107  0.715254  0.660574  1
  C  C164  1  0.705303  0.490373  0.674417  1
  C  C165  1  0.797401  0.102311  0.711670  1
  C  C166  1  0.288214  0.325593  0.698258  1
  C  C167  1  0.701107  0.215254  0.660574  1
  C  C168  1  0.205303  0.990373  0.674417  1
