# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.22460662
_cell_length_b   8.89530287
_cell_length_c   45.02260432
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   129.75572050
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe160 C64'
_cell_volume   4071.69326459
_cell_formula_units_Z   32
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  0.885978  0.686067  0.372355  1
  Fe  Fe2  1  0.385978  0.686067  0.372355  1
  Fe  Fe3  1  0.259054  0.000731  0.316568  1
  Fe  Fe4  1  0.759054  0.000731  0.316568  1
  Fe  Fe5  1  0.131323  0.521193  0.293035  1
  Fe  Fe6  1  0.631323  0.521193  0.293035  1
  Fe  Fe7  1  0.755405  0.202360  0.348821  1
  Fe  Fe8  1  0.255405  0.202360  0.348821  1
  Fe  Fe9  1  0.127368  0.670139  0.333222  1
  Fe  Fe10  1  0.627368  0.670139  0.333222  1
  Fe  Fe11  1  0.500621  0.985240  0.277973  1
  Fe  Fe12  1  0.000621  0.985240  0.277973  1
  Fe  Fe13  1  0.968507  0.444112  0.373399  1
  Fe  Fe14  1  0.468507  0.444112  0.373399  1
  Fe  Fe15  1  0.341073  0.760414  0.317119  1
  Fe  Fe16  1  0.841073  0.760414  0.317119  1
  Fe  Fe17  1  0.043342  0.755533  0.291475  1
  Fe  Fe18  1  0.543342  0.755533  0.291475  1
  Fe  Fe19  1  0.672832  0.444094  0.347906  1
  Fe  Fe20  1  0.172832  0.444094  0.347906  1
  Fe  Fe21  1  0.053416  0.891056  0.336066  1
  Fe  Fe22  1  0.553416  0.891056  0.336066  1
  Fe  Fe23  1  0.425244  0.204675  0.280054  1
  Fe  Fe24  1  0.925244  0.204675  0.280054  1
  Fe  Fe25  1  0.792171  0.330252  0.292264  1
  Fe  Fe26  1  0.292171  0.330252  0.292264  1
  Fe  Fe27  1  0.417980  0.012081  0.348790  1
  Fe  Fe28  1  0.917980  0.012081  0.348790  1
  Fe  Fe29  1  0.961810  0.312383  0.329588  1
  Fe  Fe30  1  0.461810  0.312383  0.329588  1
  Fe  Fe31  1  0.587025  0.995873  0.384986  1
  Fe  Fe32  1  0.087025  0.995873  0.384986  1
  Fe  Fe33  1  0.887607  0.531971  0.332145  1
  Fe  Fe34  1  0.387607  0.531971  0.332145  1
  Fe  Fe35  1  0.513749  0.218461  0.387833  1
  Fe  Fe36  1  0.013749  0.218461  0.387833  1
  Fe  Fe37  1  0.223450  0.874131  0.372638  1
  Fe  Fe38  1  0.723450  0.874131  0.372638  1
  Fe  Fe39  1  0.597571  0.193215  0.317123  1
  Fe  Fe40  1  0.097571  0.193215  0.317123  1
  Fe  Fe41  1  0.138437  0.056124  0.483783  1
  Fe  Fe42  1  0.638437  0.056124  0.483783  1
  Fe  Fe43  1  0.512364  0.371353  0.428140  1
  Fe  Fe44  1  0.012364  0.371353  0.428140  1
  Fe  Fe45  1  0.380869  0.885975  0.404316  1
  Fe  Fe46  1  0.880869  0.885975  0.404316  1
  Fe  Fe47  1  0.007502  0.572040  0.460116  1
  Fe  Fe48  1  0.507502  0.572040  0.460116  1
  Fe  Fe49  1  0.379882  0.039797  0.444714  1
  Fe  Fe50  1  0.879882  0.039797  0.444714  1
  Fe  Fe51  1  0.753694  0.354677  0.389069  1
  Fe  Fe52  1  0.253694  0.354677  0.389069  1
  Fe  Fe53  1  0.220554  0.813970  0.484728  1
  Fe  Fe54  1  0.720554  0.813970  0.484728  1
  Fe  Fe55  1  0.594375  0.129488  0.429036  1
  Fe  Fe56  1  0.094375  0.129488  0.429036  1
  Fe  Fe57  1  0.298958  0.128960  0.403513  1
  Fe  Fe58  1  0.798958  0.128960  0.403513  1
  Fe  Fe59  1  0.925286  0.814148  0.459170  1
  Fe  Fe60  1  0.425286  0.814148  0.459170  1
  Fe  Fe61  1  0.306506  0.261885  0.447523  1
  Fe  Fe62  1  0.806506  0.261885  0.447523  1
  Fe  Fe63  1  0.680983  0.577162  0.391621  1
  Fe  Fe64  1  0.180983  0.577162  0.391621  1
  Fe  Fe65  1  0.043909  0.697995  0.404082  1
  Fe  Fe66  1  0.543909  0.697995  0.404082  1
  Fe  Fe67  1  0.670154  0.382994  0.459799  1
  Fe  Fe68  1  0.170154  0.382994  0.459799  1
  Fe  Fe69  1  0.213165  0.681274  0.440699  1
  Fe  Fe70  1  0.713165  0.681274  0.440699  1
  Fe  Fe71  1  0.839338  0.366231  0.496374  1
  Fe  Fe72  1  0.339338  0.366231  0.496374  1
  Fe  Fe73  1  0.139939  0.903392  0.443436  1
  Fe  Fe74  1  0.639939  0.903392  0.443436  1
  Fe  Fe75  1  0.766023  0.588250  0.499183  1
  Fe  Fe76  1  0.266023  0.588250  0.499183  1
  Fe  Fe77  1  0.475759  0.245221  0.484091  1
  Fe  Fe78  1  0.975759  0.245221  0.484091  1
  Fe  Fe79  1  0.849655  0.560363  0.428389  1
  Fe  Fe80  1  0.349655  0.560363  0.428389  1
  Fe  Fe81  1  0.391155  0.427049  0.595277  1
  Fe  Fe82  1  0.891155  0.427049  0.595277  1
  Fe  Fe83  1  0.764523  0.740984  0.539477  1
  Fe  Fe84  1  0.264523  0.740984  0.539477  1
  Fe  Fe85  1  0.633588  0.256901  0.515811  1
  Fe  Fe86  1  0.133588  0.256901  0.515811  1
  Fe  Fe87  1  0.259660  0.941672  0.571453  1
  Fe  Fe88  1  0.759660  0.941672  0.571453  1
  Fe  Fe89  1  0.632086  0.409632  0.556157  1
  Fe  Fe90  1  0.132086  0.409632  0.556157  1
  Fe  Fe91  1  0.006002  0.724775  0.500410  1
  Fe  Fe92  1  0.506002  0.724775  0.500410  1
  Fe  Fe93  1  0.473066  0.184064  0.596080  1
  Fe  Fe94  1  0.973066  0.184064  0.596080  1
  Fe  Fe95  1  0.846738  0.498877  0.540423  1
  Fe  Fe96  1  0.346738  0.498877  0.540423  1
  Fe  Fe97  1  0.551470  0.499055  0.514865  1
  Fe  Fe98  1  0.051470  0.499055  0.514865  1
  Fe  Fe99  1  0.177650  0.183537  0.570557  1
  Fe  Fe100  1  0.677650  0.183537  0.570557  1
  Fe  Fe101  1  0.558860  0.631751  0.558894  1
  Fe  Fe102  1  0.058860  0.631751  0.558894  1
  Fe  Fe103  1  0.932687  0.946794  0.503219  1
  Fe  Fe104  1  0.432687  0.946794  0.503219  1
  Fe  Fe105  1  0.296266  0.067803  0.515502  1
  Fe  Fe106  1  0.796266  0.067803  0.515502  1
  Fe  Fe107  1  0.922370  0.752661  0.571204  1
  Fe  Fe108  1  0.422370  0.752661  0.571204  1
  Fe  Fe109  1  0.465519  0.051139  0.552070  1
  Fe  Fe110  1  0.965519  0.051139  0.552070  1
  Fe  Fe111  1  0.091042  0.735863  0.607972  1
  Fe  Fe112  1  0.591042  0.735863  0.607972  1
  Fe  Fe113  1  0.392143  0.273227  0.554879  1
  Fe  Fe114  1  0.892143  0.273227  0.554879  1
  Fe  Fe115  1  0.018331  0.958347  0.610524  1
  Fe  Fe116  1  0.518331  0.958347  0.610524  1
  Fe  Fe117  1  0.728115  0.615030  0.595511  1
  Fe  Fe118  1  0.228115  0.615030  0.595511  1
  Fe  Fe119  1  0.101871  0.930030  0.539794  1
  Fe  Fe120  1  0.601871  0.930030  0.539794  1
  Fe  Fe121  1  0.640702  0.791832  0.706558  1
  Fe  Fe122  1  0.140702  0.791832  0.706558  1
  Fe  Fe123  1  0.016620  0.110665  0.650772  1
  Fe  Fe124  1  0.516620  0.110665  0.650772  1
  Fe  Fe125  1  0.886047  0.626958  0.627238  1
  Fe  Fe126  1  0.386047  0.626958  0.627238  1
  Fe  Fe127  1  0.512970  0.312293  0.683025  1
  Fe  Fe128  1  0.012970  0.312293  0.683025  1
  Fe  Fe129  1  0.884418  0.781053  0.667448  1
  Fe  Fe130  1  0.384418  0.781053  0.667448  1
  Fe  Fe131  1  0.258276  0.094563  0.611760  1
  Fe  Fe132  1  0.758276  0.094563  0.611760  1
  Fe  Fe133  1  0.728683  0.557491  0.708118  1
  Fe  Fe134  1  0.228683  0.557491  0.708118  1
  Fe  Fe135  1  0.099192  0.868930  0.651688  1
  Fe  Fe136  1  0.599192  0.868930  0.651688  1
  Fe  Fe137  1  0.803518  0.868913  0.626194  1
  Fe  Fe138  1  0.303518  0.868913  0.626194  1
  Fe  Fe139  1  0.430951  0.552610  0.682474  1
  Fe  Fe140  1  0.930951  0.552610  0.682474  1
  Fe  Fe141  1  0.810215  0.000641  0.670005  1
  Fe  Fe142  1  0.310215  0.000641  0.670005  1
  Fe  Fe143  1  0.185000  0.317151  0.614607  1
  Fe  Fe144  1  0.685000  0.317151  0.614607  1
  Fe  Fe145  1  0.548575  0.438894  0.626955  1
  Fe  Fe146  1  0.048575  0.438894  0.626955  1
  Fe  Fe147  1  0.174454  0.119810  0.682471  1
  Fe  Fe148  1  0.674454  0.119810  0.682471  1
  Fe  Fe149  1  0.718609  0.421968  0.663527  1
  Fe  Fe150  1  0.218609  0.421968  0.663527  1
  Fe  Fe151  1  0.346781  0.108350  0.719539  1
  Fe  Fe152  1  0.846781  0.108350  0.719539  1
  Fe  Fe153  1  0.644656  0.642886  0.666371  1
  Fe  Fe154  1  0.144656  0.642886  0.666371  1
  Fe  Fe155  1  0.271404  0.327785  0.721620  1
  Fe  Fe156  1  0.771404  0.327785  0.721620  1
  Fe  Fe157  1  0.979854  0.982773  0.707329  1
  Fe  Fe158  1  0.479854  0.982773  0.707329  1
  Fe  Fe159  1  0.354044  0.300944  0.650803  1
  Fe  Fe160  1  0.854044  0.300944  0.650803  1
  C  C161  1  0.031930  0.698912  0.361515  1
  C  C162  1  0.531930  0.698912  0.361515  1
  C  C163  1  0.407327  0.018280  0.306268  1
  C  C164  1  0.907327  0.018280  0.306268  1
  C  C165  1  0.744892  0.476645  0.309076  1
  C  C166  1  0.244892  0.476645  0.309076  1
  C  C167  1  0.370375  0.160076  0.364653  1
  C  C168  1  0.870375  0.160076  0.364653  1
  C  C169  1  0.270592  0.726710  0.356216  1
  C  C170  1  0.770592  0.726710  0.356216  1
  C  C171  1  0.644480  0.044759  0.301082  1
  C  C172  1  0.144480  0.044759  0.301082  1
  C  C173  1  0.983320  0.503449  0.303878  1
  C  C174  1  0.483320  0.503449  0.303878  1
  C  C175  1  0.609223  0.188993  0.359651  1
  C  C176  1  0.109223  0.188993  0.359651  1
  C  C177  1  0.284475  0.069162  0.472936  1
  C  C178  1  0.784475  0.069162  0.472936  1
  C  C179  1  0.658499  0.384795  0.417234  1
  C  C180  1  0.158499  0.384795  0.417234  1
  C  C181  1  0.996732  0.845809  0.420290  1
  C  C182  1  0.496732  0.845809  0.420290  1
  C  C183  1  0.622988  0.530862  0.475988  1
  C  C184  1  0.122988  0.530862  0.475988  1
  C  C185  1  0.522885  0.097237  0.467933  1
  C  C186  1  0.022885  0.097237  0.467933  1
  C  C187  1  0.896859  0.412431  0.412253  1
  C  C188  1  0.396859  0.412431  0.412253  1
  C  C189  1  0.235196  0.873714  0.415216  1
  C  C190  1  0.735196  0.873714  0.415216  1
  C  C191  1  0.861452  0.558986  0.470954  1
  C  C192  1  0.361452  0.558986  0.470954  1
  C  C193  1  0.536828  0.439311  0.584377  1
  C  C194  1  0.036828  0.439311  0.584377  1
  C  C195  1  0.910573  0.754038  0.528639  1
  C  C196  1  0.410573  0.754038  0.528639  1
  C  C197  1  0.249140  0.215788  0.531660  1
  C  C198  1  0.749140  0.215788  0.531660  1
  C  C199  1  0.875166  0.900594  0.587340  1
  C  C200  1  0.375166  0.900594  0.587340  1
  C  C201  1  0.775293  0.467215  0.579303  1
  C  C202  1  0.275293  0.467215  0.579303  1
  C  C203  1  0.149037  0.782162  0.523605  1
  C  C204  1  0.649037  0.782162  0.523605  1
  C  C205  1  0.487550  0.243863  0.526657  1
  C  C206  1  0.987550  0.243863  0.526657  1
  C  C207  1  0.113526  0.928230  0.582359  1
  C  C208  1  0.613526  0.928230  0.582359  1
  C  C209  1  0.788705  0.809576  0.695715  1
  C  C210  1  0.288705  0.809576  0.695715  1
  C  C211  1  0.162801  0.124031  0.639942  1
  C  C212  1  0.662801  0.124031  0.639942  1
  C  C213  1  0.501433  0.586315  0.643377  1
  C  C214  1  0.001433  0.586315  0.643377  1
  C  C215  1  0.127545  0.268266  0.698511  1
  C  C216  1  0.627545  0.268266  0.698511  1
  C  C217  1  0.027133  0.836380  0.690517  1
  C  C218  1  0.527133  0.836380  0.690517  1
  C  C219  1  0.401650  0.152949  0.634940  1
  C  C220  1  0.901650  0.152949  0.634940  1
  C  C221  1  0.740095  0.614113  0.638078  1
  C  C222  1  0.240095  0.614113  0.638078  1
  C  C223  1  0.364697  0.294745  0.693325  1
  C  C224  1  0.864697  0.294745  0.693325  1
