# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61923646
_cell_length_b   5.75452157
_cell_length_c   48.75358395
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.83431006
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe70 C28'
_cell_volume   1810.65469512
_cell_formula_units_Z   14
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  0.950570  0.576581  0.309027  1
  Fe  Fe2  1  0.854600  0.169849  0.316336  1
  Fe  Fe3  1  0.675147  0.785140  0.318135  1
  Fe  Fe4  1  0.314594  0.717293  0.335734  1
  Fe  Fe5  1  0.484196  0.021767  0.289976  1
  Fe  Fe6  1  0.277031  0.643745  0.286389  1
  Fe  Fe7  1  0.253715  0.321857  0.326474  1
  Fe  Fe8  1  0.518751  0.090470  0.338829  1
  Fe  Fe9  1  0.120928  0.961633  0.307541  1
  Fe  Fe10  1  0.548064  0.420193  0.299471  1
  Fe  Fe11  1  0.430375  0.349885  0.371585  1
  Fe  Fe12  1  0.332443  0.937614  0.378761  1
  Fe  Fe13  1  0.159637  0.552444  0.380557  1
  Fe  Fe14  1  0.796162  0.486630  0.398094  1
  Fe  Fe15  1  0.965954  0.799309  0.352227  1
  Fe  Fe16  1  0.762018  0.427339  0.349445  1
  Fe  Fe17  1  0.735281  0.092026  0.388804  1
  Fe  Fe18  1  0.000474  0.859378  0.400724  1
  Fe  Fe19  1  0.604115  0.735538  0.369747  1
  Fe  Fe20  1  0.028094  0.195130  0.361593  1
  Fe  Fe21  1  0.911749  0.118743  0.434013  1
  Fe  Fe22  1  0.813150  0.707426  0.441145  1
  Fe  Fe23  1  0.640398  0.321933  0.442889  1
  Fe  Fe24  1  0.277326  0.256004  0.460507  1
  Fe  Fe25  1  0.447852  0.570079  0.414627  1
  Fe  Fe26  1  0.243558  0.197366  0.412041  1
  Fe  Fe27  1  0.216375  0.861581  0.451267  1
  Fe  Fe28  1  0.481629  0.628924  0.463082  1
  Fe  Fe29  1  0.084348  0.504236  0.432238  1
  Fe  Fe30  1  0.508873  0.964755  0.423886  1
  Fe  Fe31  1  0.393108  0.888376  0.496421  1
  Fe  Fe32  1  0.294441  0.476953  0.503579  1
  Fe  Fe33  1  0.121933  0.091438  0.505348  1
  Fe  Fe34  1  0.758581  0.025632  0.522957  1
  Fe  Fe35  1  0.928968  0.339697  0.477043  1
  Fe  Fe36  1  0.724716  0.966922  0.474500  1
  Fe  Fe37  1  0.697634  0.631186  0.513679  1
  Fe  Fe38  1  0.962834  0.398407  0.525500  1
  Fe  Fe39  1  0.565616  0.273891  0.494652  1
  Fe  Fe40  1  0.989915  0.734144  0.486321  1
  Fe  Fe41  1  0.874399  0.657904  0.558855  1
  Fe  Fe42  1  0.775800  0.246586  0.565987  1
  Fe  Fe43  1  0.603201  0.861093  0.567762  1
  Fe  Fe44  1  0.239698  0.795250  0.585373  1
  Fe  Fe45  1  0.410223  0.109325  0.539493  1
  Fe  Fe46  1  0.205920  0.736405  0.536918  1
  Fe  Fe47  1  0.178676  0.400575  0.576114  1
  Fe  Fe48  1  0.443991  0.167964  0.587959  1
  Fe  Fe49  1  0.047151  0.043397  0.557111  1
  Fe  Fe50  1  0.471174  0.503748  0.548733  1
  Fe  Fe51  1  0.355106  0.427715  0.621239  1
  Fe  Fe52  1  0.257174  0.015444  0.628415  1
  Fe  Fe53  1  0.083434  0.629792  0.630253  1
  Fe  Fe54  1  0.721595  0.566021  0.647773  1
  Fe  Fe55  1  0.891387  0.878699  0.601906  1
  Fe  Fe56  1  0.687075  0.505952  0.599276  1
  Fe  Fe57  1  0.659455  0.170200  0.638407  1
  Fe  Fe58  1  0.925531  0.937991  0.650555  1
  Fe  Fe59  1  0.527912  0.812886  0.619443  1
  Fe  Fe60  1  0.952268  0.273304  0.611196  1
  Fe  Fe61  1  0.832949  0.195480  0.683664  1
  Fe  Fe62  1  0.736979  0.788748  0.690973  1
  Fe  Fe63  1  0.566621  0.403696  0.692459  1
  Fe  Fe64  1  0.203353  0.343562  0.710024  1
  Fe  Fe65  1  0.372955  0.648036  0.664266  1
  Fe  Fe66  1  0.168798  0.274859  0.661171  1
  Fe  Fe67  1  0.139485  0.945136  0.700529  1
  Fe  Fe68  1  0.410518  0.721584  0.713611  1
  Fe  Fe69  1  0.012402  0.580189  0.681865  1
  Fe  Fe70  1  0.433834  0.043472  0.673526  1
  C  C71  1  0.513225  0.519884  0.338034  1
  C  C72  1  0.736597  0.252428  0.282682  1
  C  C73  1  0.056698  0.498641  0.343709  1
  C  C74  1  0.288777  0.223089  0.287682  1
  C  C75  1  0.994785  0.289287  0.400501  1
  C  C76  1  0.223922  0.018199  0.344355  1
  C  C77  1  0.537915  0.268386  0.406014  1
  C  C78  1  0.768822  0.998441  0.349735  1
  C  C79  1  0.476083  0.058817  0.462899  1
  C  C80  1  0.706026  0.788276  0.406655  1
  C  C81  1  0.019083  0.037966  0.468491  1
  C  C82  1  0.249152  0.767367  0.412283  1
  C  C83  1  0.957297  0.828384  0.525333  1
  C  C84  1  0.187266  0.557740  0.469091  1
  C  C85  1  0.500283  0.807589  0.530909  1
  C  C86  1  0.730252  0.536946  0.474667  1
  C  C87  1  0.438397  0.597962  0.587717  1
  C  C88  1  0.668466  0.327363  0.531509  1
  C  C89  1  0.981523  0.577053  0.593345  1
  C  C90  1  0.211466  0.306512  0.537101  1
  C  C91  1  0.918727  0.366888  0.650265  1
  C  C92  1  0.149634  0.096944  0.593986  1
  C  C93  1  0.463627  0.347131  0.655645  1
  C  C94  1  0.692764  0.076043  0.599499  1
  C  C95  1  0.398772  0.142240  0.712318  1
  C  C96  1  0.630851  0.866688  0.656291  1
  C  C97  1  0.950952  0.112901  0.717318  1
  C  C98  1  0.174324  0.845446  0.661966  1
