# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56563501
_cell_length_b   10.45526999
_cell_length_c   52.65377454
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.56252953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe100 C40'
_cell_volume   2491.56290263
_cell_formula_units_Z   20
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  0.929842  0.355315  0.348552  1
  Fe  Fe2  1  0.935206  0.855931  0.302690  1
  Fe  Fe3  1  0.089762  0.163859  0.334541  1
  Fe  Fe4  1  0.046298  0.649985  0.287902  1
  Fe  Fe5  1  0.268991  0.474160  0.286594  1
  Fe  Fe6  1  0.274209  0.974644  0.331409  1
  Fe  Fe7  1  0.756573  0.472069  0.308688  1
  Fe  Fe8  1  0.772543  0.974845  0.351229  1
  Fe  Fe9  1  0.258434  0.048361  0.285487  1
  Fe  Fe10  1  0.237297  0.546474  0.331675  1
  Fe  Fe11  1  0.423250  0.353925  0.334833  1
  Fe  Fe12  1  0.433643  0.858475  0.288914  1
  Fe  Fe13  1  0.759063  0.260297  0.298532  1
  Fe  Fe14  1  0.756606  0.761216  0.344675  1
  Fe  Fe15  1  0.588532  0.166336  0.348232  1
  Fe  Fe16  1  0.575442  0.665051  0.303061  1
  Fe  Fe17  1  0.752628  0.046886  0.306255  1
  Fe  Fe18  1  0.743278  0.547115  0.351449  1
  Fe  Fe19  1  0.263849  0.261731  0.293087  1
  Fe  Fe20  1  0.256811  0.760542  0.338109  1
  Fe  Fe21  1  0.930611  0.356205  0.439218  1
  Fe  Fe22  1  0.932679  0.856711  0.393608  1
  Fe  Fe23  1  0.085892  0.165368  0.425412  1
  Fe  Fe24  1  0.081724  0.665776  0.379921  1
  Fe  Fe25  1  0.268155  0.475425  0.376970  1
  Fe  Fe26  1  0.272091  0.974964  0.422372  1
  Fe  Fe27  1  0.769424  0.475083  0.396834  1
  Fe  Fe28  1  0.771084  0.975158  0.442153  1
  Fe  Fe29  1  0.248631  0.046660  0.376842  1
  Fe  Fe30  1  0.243389  0.546989  0.422405  1
  Fe  Fe31  1  0.430257  0.356340  0.425443  1
  Fe  Fe32  1  0.433353  0.856304  0.379874  1
  Fe  Fe33  1  0.758088  0.260944  0.389569  1
  Fe  Fe34  1  0.757655  0.761112  0.435391  1
  Fe  Fe35  1  0.585162  0.165748  0.439159  1
  Fe  Fe36  1  0.583005  0.665267  0.393641  1
  Fe  Fe37  1  0.746662  0.046944  0.396701  1
  Fe  Fe38  1  0.744612  0.546816  0.442209  1
  Fe  Fe39  1  0.258180  0.261113  0.383923  1
  Fe  Fe40  1  0.257850  0.761027  0.429236  1
  Fe  Fe41  1  0.931698  0.356293  0.530087  1
  Fe  Fe42  1  0.931365  0.856587  0.484585  1
  Fe  Fe43  1  0.084372  0.165447  0.516338  1
  Fe  Fe44  1  0.084039  0.665741  0.470836  1
  Fe  Fe45  1  0.269889  0.475191  0.467824  1
  Fe  Fe46  1  0.270619  0.975048  0.513303  1
  Fe  Fe47  1  0.770622  0.475065  0.487645  1
  Fe  Fe48  1  0.769897  0.975158  0.533105  1
  Fe  Fe49  1  0.245840  0.046876  0.467818  1
  Fe  Fe50  1  0.245115  0.546969  0.513278  1
  Fe  Fe51  1  0.431297  0.356493  0.516335  1
  Fe  Fe52  1  0.431758  0.856418  0.470828  1
  Fe  Fe53  1  0.757955  0.260931  0.480688  1
  Fe  Fe54  1  0.757914  0.761066  0.526184  1
  Fe  Fe55  1  0.583979  0.165615  0.530095  1
  Fe  Fe56  1  0.584439  0.665541  0.484588  1
  Fe  Fe57  1  0.745118  0.046986  0.487620  1
  Fe  Fe58  1  0.745847  0.546843  0.533099  1
  Fe  Fe59  1  0.257823  0.260968  0.474739  1
  Fe  Fe60  1  0.257782  0.761103  0.520235  1
  Fe  Fe61  1  0.934013  0.356258  0.621002  1
  Fe  Fe62  1  0.929845  0.856666  0.575511  1
  Fe  Fe63  1  0.083058  0.165323  0.607315  1
  Fe  Fe64  1  0.085125  0.665829  0.561705  1
  Fe  Fe65  1  0.271125  0.475218  0.558714  1
  Fe  Fe66  1  0.269075  0.975090  0.604222  1
  Fe  Fe67  1  0.772348  0.475045  0.578518  1
  Fe  Fe68  1  0.767105  0.975374  0.624081  1
  Fe  Fe69  1  0.244653  0.046876  0.558770  1
  Fe  Fe70  1  0.246312  0.546951  0.604089  1
  Fe  Fe71  1  0.432732  0.356767  0.607282  1
  Fe  Fe72  1  0.430575  0.856286  0.561764  1
  Fe  Fe73  1  0.757887  0.261007  0.571687  1
  Fe  Fe74  1  0.757557  0.760921  0.617000  1
  Fe  Fe75  1  0.582384  0.165730  0.621049  1
  Fe  Fe76  1  0.585479  0.665694  0.575480  1
  Fe  Fe77  1  0.743646  0.047070  0.578551  1
  Fe  Fe78  1  0.747582  0.546609  0.623953  1
  Fe  Fe79  1  0.258082  0.260922  0.565532  1
  Fe  Fe80  1  0.257648  0.761090  0.611354  1
  Fe  Fe81  1  0.969439  0.372049  0.713021  1
  Fe  Fe82  1  0.925975  0.858175  0.666382  1
  Fe  Fe83  1  0.080530  0.166103  0.698233  1
  Fe  Fe84  1  0.085895  0.666719  0.652371  1
  Fe  Fe85  1  0.272459  0.474919  0.649474  1
  Fe  Fe86  1  0.263109  0.975148  0.694668  1
  Fe  Fe87  1  0.778440  0.475560  0.669248  1
  Fe  Fe88  1  0.757303  0.973673  0.715436  1
  Fe  Fe89  1  0.243194  0.047189  0.649694  1
  Fe  Fe90  1  0.259164  0.549965  0.692235  1
  Fe  Fe91  1  0.440295  0.356983  0.697862  1
  Fe  Fe92  1  0.427205  0.855698  0.652691  1
  Fe  Fe93  1  0.758926  0.261492  0.662814  1
  Fe  Fe94  1  0.751888  0.760303  0.707836  1
  Fe  Fe95  1  0.582094  0.163559  0.712009  1
  Fe  Fe96  1  0.592487  0.668109  0.666090  1
  Fe  Fe97  1  0.741528  0.047390  0.669514  1
  Fe  Fe98  1  0.746746  0.547874  0.714329  1
  Fe  Fe99  1  0.259131  0.260818  0.656248  1
  Fe  Fe100  1  0.256674  0.761737  0.702391  1
  C  C101  1  0.602417  0.387916  0.278136  1
  C  C102  1  0.594129  0.880496  0.322612  1
  C  C103  1  0.931689  0.139792  0.277500  1
  C  C104  1  0.919137  0.641455  0.322731  1
  C  C105  1  0.083688  0.377650  0.314657  1
  C  C106  1  0.092441  0.880465  0.359909  1
  C  C107  1  0.431043  0.141096  0.314493  1
  C  C108  1  0.422484  0.641264  0.359971  1
  C  C109  1  0.588422  0.381337  0.368259  1
  C  C110  1  0.591744  0.880579  0.413605  1
  C  C111  1  0.928621  0.141038  0.368203  1
  C  C112  1  0.923794  0.641467  0.413664  1
  C  C113  1  0.089196  0.380564  0.405499  1
  C  C114  1  0.090781  0.880753  0.450885  1
  C  C115  1  0.426797  0.141279  0.405432  1
  C  C116  1  0.424950  0.641337  0.450891  1
  C  C117  1  0.589600  0.380699  0.459140  1
  C  C118  1  0.590378  0.880703  0.504551  1
  C  C119  1  0.926054  0.141255  0.459099  1
  C  C120  1  0.925378  0.641388  0.504555  1
  C  C121  1  0.090359  0.380646  0.496368  1
  C  C122  1  0.089682  0.880779  0.541824  1
  C  C123  1  0.425359  0.141331  0.496372  1
  C  C124  1  0.426137  0.641335  0.541783  1
  C  C125  1  0.590787  0.380697  0.550032  1
  C  C126  1  0.588939  0.880755  0.595491  1
  C  C127  1  0.924956  0.141281  0.550038  1
  C  C128  1  0.926541  0.641470  0.595424  1
  C  C129  1  0.091943  0.380567  0.587259  1
  C  C130  1  0.087115  0.880996  0.632720  1
  C  C131  1  0.423993  0.141455  0.587318  1
  C  C132  1  0.427315  0.640697  0.632665  1
  C  C133  1  0.593253  0.380770  0.640952  1
  C  C134  1  0.584693  0.880938  0.686430  1
  C  C135  1  0.923296  0.141569  0.641014  1
  C  C136  1  0.932049  0.644384  0.686266  1
  C  C137  1  0.096600  0.380579  0.678192  1
  C  C138  1  0.084047  0.882242  0.723423  1
  C  C139  1  0.421608  0.141538  0.678311  1
  C  C140  1  0.413320  0.634118  0.722787  1
