# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.44906769
_cell_length_b   4.78754368
_cell_length_c   49.72960527
_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   'Fe100 C40'
_cell_volume   2487.74180122
_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  0.882347  0.424167  0.356667  1
  Fe  Fe2  1  0.214246  0.925931  0.325783  1
  Fe  Fe3  1  0.116417  0.607609  0.294422  1
  Fe  Fe4  1  0.044093  0.115201  0.296997  1
  Fe  Fe5  1  0.012059  0.890476  0.342231  1
  Fe  Fe6  1  0.086065  0.391022  0.339645  1
  Fe  Fe7  1  0.914913  0.573165  0.310703  1
  Fe  Fe8  1  0.244895  0.087407  0.279129  1
  Fe  Fe9  1  0.797981  0.970672  0.341095  1
  Fe  Fe10  1  0.831040  0.032066  0.295672  1
  Fe  Fe11  1  0.382347  0.924167  0.356667  1
  Fe  Fe12  1  0.714246  0.425931  0.325783  1
  Fe  Fe13  1  0.616417  0.107609  0.294422  1
  Fe  Fe14  1  0.544093  0.615201  0.296997  1
  Fe  Fe15  1  0.512059  0.390476  0.342231  1
  Fe  Fe16  1  0.586065  0.891022  0.339645  1
  Fe  Fe17  1  0.414913  0.073165  0.310703  1
  Fe  Fe18  1  0.744895  0.587407  0.279129  1
  Fe  Fe19  1  0.297981  0.470672  0.341095  1
  Fe  Fe20  1  0.331040  0.532066  0.295672  1
  Fe  Fe21  1  0.817061  0.424715  0.447199  1
  Fe  Fe22  1  0.149000  0.924376  0.416486  1
  Fe  Fe23  1  0.052757  0.609389  0.385282  1
  Fe  Fe24  1  0.979282  0.109356  0.387700  1
  Fe  Fe25  1  0.946260  0.890970  0.432996  1
  Fe  Fe26  1  0.020140  0.391053  0.430636  1
  Fe  Fe27  1  0.850160  0.576068  0.401788  1
  Fe  Fe28  1  0.181605  0.075929  0.371019  1
  Fe  Fe29  1  0.732981  0.973214  0.431829  1
  Fe  Fe30  1  0.765906  0.027783  0.386452  1
  Fe  Fe31  1  0.317061  0.924715  0.447199  1
  Fe  Fe32  1  0.649000  0.424376  0.416486  1
  Fe  Fe33  1  0.552757  0.109389  0.385282  1
  Fe  Fe34  1  0.479282  0.609356  0.387700  1
  Fe  Fe35  1  0.446260  0.390970  0.432996  1
  Fe  Fe36  1  0.520140  0.891053  0.430636  1
  Fe  Fe37  1  0.350160  0.076068  0.401788  1
  Fe  Fe38  1  0.681605  0.575929  0.371019  1
  Fe  Fe39  1  0.232981  0.473214  0.431829  1
  Fe  Fe40  1  0.265906  0.527783  0.386452  1
  Fe  Fe41  1  0.751107  0.424737  0.537937  1
  Fe  Fe42  1  0.083024  0.924688  0.507283  1
  Fe  Fe43  1  0.986978  0.609776  0.476057  1
  Fe  Fe44  1  0.913231  0.109844  0.478397  1
  Fe  Fe45  1  0.880175  0.891153  0.523765  1
  Fe  Fe46  1  0.953922  0.391086  0.521425  1
  Fe  Fe47  1  0.784129  0.576241  0.492539  1
  Fe  Fe48  1  0.116046  0.076193  0.461885  1
  Fe  Fe49  1  0.667067  0.973526  0.522600  1
  Fe  Fe50  1  0.700087  0.027403  0.477222  1
  Fe  Fe51  1  0.251107  0.924737  0.537937  1
  Fe  Fe52  1  0.583024  0.424688  0.507283  1
  Fe  Fe53  1  0.486978  0.109776  0.476057  1
  Fe  Fe54  1  0.413231  0.609844  0.478397  1
  Fe  Fe55  1  0.380175  0.391153  0.523765  1
  Fe  Fe56  1  0.453922  0.891086  0.521425  1
  Fe  Fe57  1  0.284129  0.076241  0.492539  1
  Fe  Fe58  1  0.616046  0.576193  0.461885  1
  Fe  Fe59  1  0.167067  0.473526  0.522600  1
  Fe  Fe60  1  0.200087  0.527403  0.477222  1
  Fe  Fe61  1  0.685549  0.425000  0.628803  1
  Fe  Fe62  1  0.016993  0.924862  0.598034  1
  Fe  Fe63  1  0.920893  0.609960  0.566825  1
  Fe  Fe64  1  0.847013  0.109877  0.569186  1
  Fe  Fe65  1  0.814396  0.891540  0.614540  1
  Fe  Fe66  1  0.887872  0.391574  0.612122  1
  Fe  Fe67  1  0.718154  0.576553  0.583336  1
  Fe  Fe68  1  0.050092  0.076215  0.552623  1
  Fe  Fe69  1  0.601248  0.973147  0.613370  1
  Fe  Fe70  1  0.634172  0.027715  0.567993  1
  Fe  Fe71  1  0.185549  0.925000  0.628803  1
  Fe  Fe72  1  0.516993  0.424862  0.598034  1
  Fe  Fe73  1  0.420893  0.109960  0.566825  1
  Fe  Fe74  1  0.347013  0.609877  0.569186  1
  Fe  Fe75  1  0.314396  0.391540  0.614540  1
  Fe  Fe76  1  0.387872  0.891574  0.612122  1
  Fe  Fe77  1  0.218154  0.076553  0.583336  1
  Fe  Fe78  1  0.550092  0.576215  0.552623  1
  Fe  Fe79  1  0.101248  0.473147  0.613370  1
  Fe  Fe80  1  0.134172  0.527715  0.567993  1
  Fe  Fe81  1  0.622258  0.413523  0.720693  1
  Fe  Fe82  1  0.952240  0.927764  0.689119  1
  Fe  Fe83  1  0.855094  0.610454  0.657591  1
  Fe  Fe84  1  0.781089  0.109907  0.660177  1
  Fe  Fe85  1  0.750736  0.893321  0.705400  1
  Fe  Fe86  1  0.823060  0.385729  0.702825  1
  Fe  Fe87  1  0.652907  0.574999  0.674039  1
  Fe  Fe88  1  0.984807  0.076762  0.643155  1
  Fe  Fe89  1  0.536113  0.968864  0.704150  1
  Fe  Fe90  1  0.569172  0.030258  0.658727  1
  Fe  Fe91  1  0.122258  0.913523  0.720693  1
  Fe  Fe92  1  0.452240  0.427764  0.689119  1
  Fe  Fe93  1  0.355094  0.110454  0.657591  1
  Fe  Fe94  1  0.281089  0.609907  0.660177  1
  Fe  Fe95  1  0.250736  0.393321  0.705400  1
  Fe  Fe96  1  0.323060  0.885729  0.702825  1
  Fe  Fe97  1  0.152907  0.074999  0.674039  1
  Fe  Fe98  1  0.484807  0.576762  0.643155  1
  Fe  Fe99  1  0.036113  0.468864  0.704150  1
  Fe  Fe100  1  0.069172  0.530258  0.658727  1
  C  C101  1  0.167772  0.704973  0.356545  1
  C  C102  1  0.928609  0.204854  0.325804  1
  C  C103  1  0.962314  0.799733  0.280386  1
  C  C104  1  0.201226  0.295308  0.310919  1
  C  C105  1  0.667772  0.204973  0.356545  1
  C  C106  1  0.428609  0.704854  0.325804  1
  C  C107  1  0.462314  0.299733  0.280386  1
  C  C108  1  0.701226  0.795308  0.310919  1
  C  C109  1  0.102241  0.705466  0.447367  1
  C  C110  1  0.863866  0.205473  0.416348  1
  C  C111  1  0.896759  0.795673  0.370940  1
  C  C112  1  0.135217  0.294916  0.401922  1
  C  C113  1  0.602241  0.205466  0.447367  1
  C  C114  1  0.363866  0.705473  0.416348  1
  C  C115  1  0.396759  0.295673  0.370940  1
  C  C116  1  0.635217  0.794916  0.401922  1
  C  C117  1  0.036182  0.705414  0.538133  1
  C  C118  1  0.797908  0.205591  0.507076  1
  C  C119  1  0.830971  0.795515  0.461689  1
  C  C120  1  0.069245  0.295339  0.492746  1
  C  C121  1  0.536182  0.205414  0.538133  1
  C  C122  1  0.297908  0.705591  0.507076  1
  C  C123  1  0.330971  0.295515  0.461689  1
  C  C124  1  0.569245  0.795339  0.492746  1
  C  C125  1  0.970394  0.705257  0.628882  1
  C  C126  1  0.731936  0.206014  0.597900  1
  C  C127  1  0.764913  0.795463  0.552455  1
  C  C128  1  0.003287  0.295457  0.583474  1
  C  C129  1  0.470394  0.205257  0.628882  1
  C  C130  1  0.231936  0.706014  0.597900  1
  C  C131  1  0.264913  0.295463  0.552455  1
  C  C132  1  0.503287  0.795457  0.583474  1
  C  C133  1  0.904839  0.701197  0.719436  1
  C  C134  1  0.665927  0.205621  0.688903  1
  C  C135  1  0.699381  0.795957  0.643277  1
  C  C136  1  0.938545  0.296075  0.674018  1
  C  C137  1  0.404839  0.201197  0.719436  1
  C  C138  1  0.165927  0.705621  0.688903  1
  C  C139  1  0.199381  0.295957  0.643277  1
  C  C140  1  0.438545  0.796075  0.674018  1
