# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79551460
_cell_length_b   10.72186184
_cell_length_c   48.28600798
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.73658131
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe100 C40'
_cell_volume   2482.68794659
_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  0.671664  0.658553  0.353854  1
  Fe  Fe2  1  0.171038  0.099960  0.308223  1
  Fe  Fe3  1  0.824698  0.808590  0.321590  1
  Fe  Fe4  1  0.316700  0.246477  0.275558  1
  Fe  Fe5  1  0.356181  0.513326  0.333612  1
  Fe  Fe6  1  0.854962  0.954800  0.287711  1
  Fe  Fe7  1  0.132732  0.457404  0.287817  1
  Fe  Fe8  1  0.638262  0.013610  0.333196  1
  Fe  Fe9  1  0.348799  0.897037  0.296737  1
  Fe  Fe10  1  0.858177  0.453108  0.342289  1
  Fe  Fe11  1  0.821064  0.601629  0.308661  1
  Fe  Fe12  1  0.320660  0.160320  0.353801  1
  Fe  Fe13  1  0.223324  0.762559  0.360296  1
  Fe  Fe14  1  0.718572  0.204124  0.315134  1
  Fe  Fe15  1  0.674115  0.743414  0.276024  1
  Fe  Fe16  1  0.174843  0.306956  0.321653  1
  Fe  Fe17  1  0.138915  0.952868  0.341996  1
  Fe  Fe18  1  0.638446  0.396951  0.296527  1
  Fe  Fe19  1  0.273158  0.701532  0.314417  1
  Fe  Fe20  1  0.762040  0.151756  0.269426  1
  Fe  Fe21  1  0.670492  0.774800  0.444732  1
  Fe  Fe22  1  0.169726  0.215453  0.399233  1
  Fe  Fe23  1  0.824347  0.924683  0.412365  1
  Fe  Fe24  1  0.325807  0.366704  0.366900  1
  Fe  Fe25  1  0.356045  0.630116  0.424164  1
  Fe  Fe26  1  0.855649  0.071727  0.378581  1
  Fe  Fe27  1  0.138835  0.572128  0.378722  1
  Fe  Fe28  1  0.637537  0.130380  0.424097  1
  Fe  Fe29  1  0.356411  0.010251  0.387387  1
  Fe  Fe30  1  0.857646  0.569187  0.432962  1
  Fe  Fe31  1  0.821350  0.718134  0.399361  1
  Fe  Fe32  1  0.320687  0.276084  0.444761  1
  Fe  Fe33  1  0.222485  0.879074  0.451151  1
  Fe  Fe34  1  0.721996  0.320400  0.405774  1
  Fe  Fe35  1  0.673532  0.864904  0.366564  1
  Fe  Fe36  1  0.174741  0.422797  0.412480  1
  Fe  Fe37  1  0.138379  0.069139  0.432913  1
  Fe  Fe38  1  0.641247  0.511183  0.387567  1
  Fe  Fe39  1  0.271535  0.820536  0.405853  1
  Fe  Fe40  1  0.771505  0.262353  0.360402  1
  Fe  Fe41  1  0.669026  0.891089  0.535621  1
  Fe  Fe42  1  0.169596  0.332805  0.490170  1
  Fe  Fe43  1  0.823962  0.041557  0.503299  1
  Fe  Fe44  1  0.324532  0.483273  0.457849  1
  Fe  Fe45  1  0.354544  0.746619  0.515029  1
  Fe  Fe46  1  0.855336  0.188332  0.469617  1
  Fe  Fe47  1  0.137572  0.688674  0.469639  1
  Fe  Fe48  1  0.637381  0.247262  0.515066  1
  Fe  Fe49  1  0.356177  0.127100  0.478403  1
  Fe  Fe50  1  0.855986  0.685688  0.523830  1
  Fe  Fe51  1  0.820361  0.834651  0.490203  1
  Fe  Fe52  1  0.320481  0.392669  0.535765  1
  Fe  Fe53  1  0.221141  0.995743  0.542058  1
  Fe  Fe54  1  0.722270  0.437237  0.496652  1
  Fe  Fe55  1  0.673077  0.981693  0.457704  1
  Fe  Fe56  1  0.173197  0.539710  0.503267  1
  Fe  Fe57  1  0.138222  0.186030  0.523853  1
  Fe  Fe58  1  0.639014  0.627743  0.478441  1
  Fe  Fe59  1  0.271287  0.937125  0.496817  1
  Fe  Fe60  1  0.772417  0.378618  0.451412  1
  Fe  Fe61  1  0.667751  0.007658  0.626570  1
  Fe  Fe62  1  0.169211  0.449680  0.581105  1
  Fe  Fe63  1  0.823831  0.158909  0.594236  1
  Fe  Fe64  1  0.323066  0.599562  0.548737  1
  Fe  Fe65  1  0.352311  0.863179  0.605903  1
  Fe  Fe66  1  0.855179  0.305222  0.560556  1
  Fe  Fe67  1  0.135912  0.805175  0.560508  1
  Fe  Fe68  1  0.637146  0.364111  0.606083  1
  Fe  Fe69  1  0.356021  0.243982  0.569373  1
  Fe  Fe70  1  0.854722  0.802234  0.614748  1
  Fe  Fe71  1  0.818817  0.951565  0.580990  1
  Fe  Fe72  1  0.320025  0.509458  0.626905  1
  Fe  Fe73  1  0.222053  0.112009  0.633068  1
  Fe  Fe74  1  0.722024  0.553826  0.587616  1
  Fe  Fe75  1  0.672872  0.098278  0.548708  1
  Fe  Fe76  1  0.172208  0.656228  0.594109  1
  Fe  Fe77  1  0.137908  0.302634  0.614889  1
  Fe  Fe78  1  0.637513  0.744246  0.569306  1
  Fe  Fe79  1  0.271562  0.053962  0.587696  1
  Fe  Fe80  1  0.771072  0.495288  0.542319  1
  Fe  Fe81  1  0.676858  0.127885  0.717912  1
  Fe  Fe82  1  0.168860  0.565772  0.671879  1
  Fe  Fe83  1  0.822520  0.274402  0.685246  1
  Fe  Fe84  1  0.321894  0.715809  0.639615  1
  Fe  Fe85  1  0.355112  0.977411  0.696943  1
  Fe  Fe86  1  0.854643  0.421494  0.651473  1
  Fe  Fe87  1  0.135380  0.921254  0.651181  1
  Fe  Fe88  1  0.644759  0.477324  0.696733  1
  Fe  Fe89  1  0.355295  0.360752  0.660273  1
  Fe  Fe90  1  0.860826  0.916958  0.705653  1
  Fe  Fe91  1  0.818715  0.067406  0.671817  1
  Fe  Fe92  1  0.319443  0.630948  0.717445  1
  Fe  Fe93  1  0.231518  0.222606  0.724044  1
  Fe  Fe94  1  0.720400  0.672830  0.679052  1
  Fe  Fe95  1  0.672898  0.214042  0.639668  1
  Fe  Fe96  1  0.172494  0.772733  0.684808  1
  Fe  Fe97  1  0.138596  0.419561  0.705758  1
  Fe  Fe98  1  0.637376  0.861035  0.659858  1
  Fe  Fe99  1  0.274987  0.170238  0.678336  1
  Fe  Fe100  1  0.770234  0.611802  0.633174  1
  C  C101  1  0.454450  0.556594  0.296251  1
  C  C102  1  0.952277  0.118173  0.341353  1
  C  C103  1  0.452283  0.847099  0.333592  1
  C  C104  1  0.951045  0.289521  0.288880  1
  C  C105  1  0.043177  0.620053  0.341532  1
  C  C106  1  0.542824  0.061445  0.296001  1
  C  C107  1  0.040907  0.789126  0.288355  1
  C  C108  1  0.544344  0.349072  0.333733  1
  C  C109  1  0.452433  0.676819  0.386948  1
  C  C110  1  0.951682  0.234650  0.432376  1
  C  C111  1  0.453213  0.964009  0.424651  1
  C  C112  1  0.954931  0.405125  0.379435  1
  C  C113  1  0.041519  0.735489  0.432395  1
  C  C114  1  0.540985  0.176952  0.386848  1
  C  C115  1  0.042001  0.905991  0.379188  1
  C  C116  1  0.543772  0.464642  0.424766  1
  C  C117  1  0.451331  0.793318  0.477822  1
  C  C118  1  0.951469  0.351617  0.523318  1
  C  C119  1  0.452947  0.080721  0.515658  1
  C  C120  1  0.953416  0.522292  0.470208  1
  C  C121  1  0.040142  0.852069  0.523262  1
  C  C122  1  0.540610  0.293641  0.477811  1
  C  C123  1  0.042089  0.022744  0.470152  1
  C  C124  1  0.542227  0.581044  0.515648  1
  C  C125  1  0.449786  0.909720  0.568703  1
  C  C126  1  0.951557  0.468370  0.614281  1
  C  C127  1  0.452574  0.197410  0.606621  1
  C  C128  1  0.952039  0.638873  0.561074  1
  C  C129  1  0.038627  0.969237  0.614034  1
  C  C130  1  0.540345  0.410353  0.568818  1
  C  C131  1  0.041876  0.139712  0.561094  1
  C  C132  1  0.541125  0.697543  0.606522  1
  C  C133  1  0.449214  0.025290  0.659736  1
  C  C134  1  0.952651  0.585236  0.705115  1
  C  C135  1  0.450734  0.312916  0.697468  1
  C  C136  1  0.950381  0.754309  0.651938  1
  C  C137  1  0.042513  0.084840  0.704590  1
  C  C138  1  0.541275  0.527263  0.659878  1
  C  C139  1  0.041280  0.256189  0.652117  1
  C  C140  1  0.539108  0.817768  0.697219  1
