# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89641386
_cell_length_b   10.63621516
_cell_length_c   49.80747390
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.90608632
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe96 P48'
_cell_volume   3653.46004915
_cell_formula_units_Z   48
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  0.070209  0.460942  0.288548  1
  Fe  Fe2  1  0.459136  0.986126  0.314196  1
  Fe  Fe3  1  0.529238  0.278608  0.319332  1
  Fe  Fe4  1  0.164993  0.805356  0.294903  1
  Fe  Fe5  1  0.157588  0.175322  0.295582  1
  Fe  Fe6  1  0.526375  0.687409  0.318453  1
  Fe  Fe7  1  0.178890  0.350721  0.329598  1
  Fe  Fe8  1  0.777704  0.855883  0.302000  1
  Fe  Fe9  1  0.768641  0.107366  0.301807  1
  Fe  Fe10  1  0.176190  0.611309  0.328577  1
  Fe  Fe11  1  0.703023  0.485242  0.295721  1
  Fe  Fe12  1  0.088980  0.986058  0.323734  1
  Fe  Fe13  1  0.874754  0.474608  0.340486  1
  Fe  Fe14  1  0.268485  0.969161  0.370593  1
  Fe  Fe15  1  0.358435  0.293965  0.375955  1
  Fe  Fe16  1  0.954653  0.786915  0.347261  1
  Fe  Fe17  1  0.921163  0.190030  0.345589  1
  Fe  Fe18  1  0.330696  0.684473  0.373531  1
  Fe  Fe19  1  0.980785  0.350693  0.383975  1
  Fe  Fe20  1  0.581919  0.847140  0.356295  1
  Fe  Fe21  1  0.574728  0.115681  0.356318  1
  Fe  Fe22  1  0.976702  0.613478  0.383385  1
  Fe  Fe23  1  0.500006  0.485459  0.347120  1
  Fe  Fe24  1  0.895637  0.985620  0.379264  1
  Fe  Fe25  1  0.671621  0.472046  0.397241  1
  Fe  Fe26  1  0.070789  0.971156  0.425289  1
  Fe  Fe27  1  0.158718  0.292052  0.431131  1
  Fe  Fe28  1  0.756190  0.789908  0.403386  1
  Fe  Fe29  1  0.727628  0.187279  0.401422  1
  Fe  Fe30  1  0.131512  0.685970  0.429234  1
  Fe  Fe31  1  0.783223  0.349938  0.439716  1
  Fe  Fe32  1  0.382864  0.848628  0.412233  1
  Fe  Fe33  1  0.376287  0.114437  0.411897  1
  Fe  Fe34  1  0.776504  0.613932  0.439273  1
  Fe  Fe35  1  0.296923  0.485669  0.406702  1
  Fe  Fe36  1  0.698906  0.985830  0.434059  1
  Fe  Fe37  1  0.471798  0.472318  0.452811  1
  Fe  Fe38  1  0.873095  0.971458  0.480582  1
  Fe  Fe39  1  0.961103  0.291925  0.486585  1
  Fe  Fe40  1  0.558557  0.790137  0.458761  1
  Fe  Fe41  1  0.531305  0.186753  0.456920  1
  Fe  Fe42  1  0.933094  0.686016  0.484728  1
  Fe  Fe43  1  0.585872  0.349920  0.495283  1
  Fe  Fe44  1  0.184822  0.849209  0.467543  1
  Fe  Fe45  1  0.178084  0.114238  0.467119  1
  Fe  Fe46  1  0.579013  0.613905  0.494772  1
  Fe  Fe47  1  0.100305  0.485851  0.461575  1
  Fe  Fe48  1  0.501411  0.985890  0.489484  1
  Fe  Fe49  1  0.274358  0.471777  0.508398  1
  Fe  Fe50  1  0.674861  0.971770  0.535981  1
  Fe  Fe51  1  0.763196  0.291910  0.542113  1
  Fe  Fe52  1  0.361586  0.791171  0.514386  1
  Fe  Fe53  1  0.334195  0.186377  0.512482  1
  Fe  Fe54  1  0.735452  0.686082  0.540259  1
  Fe  Fe55  1  0.388065  0.350266  0.550820  1
  Fe  Fe56  1  0.986999  0.849223  0.523017  1
  Fe  Fe57  1  0.980223  0.114385  0.522533  1
  Fe  Fe58  1  0.381268  0.613742  0.550397  1
  Fe  Fe59  1  0.902544  0.485939  0.517197  1
  Fe  Fe60  1  0.303473  0.985869  0.544931  1
  Fe  Fe61  1  0.077229  0.471881  0.563875  1
  Fe  Fe62  1  0.476471  0.972162  0.591494  1
  Fe  Fe63  1  0.564915  0.292169  0.597457  1
  Fe  Fe64  1  0.163996  0.791060  0.569814  1
  Fe  Fe65  1  0.136766  0.186555  0.567921  1
  Fe  Fe66  1  0.538096  0.685936  0.595818  1
  Fe  Fe67  1  0.190404  0.350915  0.606098  1
  Fe  Fe68  1  0.789397  0.849118  0.578478  1
  Fe  Fe69  1  0.782359  0.114614  0.577947  1
  Fe  Fe70  1  0.184239  0.613809  0.605780  1
  Fe  Fe71  1  0.704901  0.486018  0.572767  1
  Fe  Fe72  1  0.106321  0.985682  0.599943  1
  Fe  Fe73  1  0.878664  0.471961  0.619289  1
  Fe  Fe74  1  0.282868  0.970710  0.646136  1
  Fe  Fe75  1  0.372213  0.293060  0.654357  1
  Fe  Fe76  1  0.966724  0.790925  0.624908  1
  Fe  Fe77  1  0.935310  0.187487  0.622345  1
  Fe  Fe78  1  0.342297  0.685111  0.652051  1
  Fe  Fe79  1  0.990462  0.356343  0.662883  1
  Fe  Fe80  1  0.591199  0.849328  0.634101  1
  Fe  Fe81  1  0.583787  0.114987  0.633497  1
  Fe  Fe82  1  0.984025  0.608040  0.663006  1
  Fe  Fe83  1  0.506156  0.485876  0.628959  1
  Fe  Fe84  1  0.908147  0.985309  0.655006  1
  Fe  Fe85  1  0.688856  0.472246  0.675376  1
  Fe  Fe86  1  0.088821  0.979101  0.700380  1
  Fe  Fe87  1  0.127378  0.258706  0.704337  1
  Fe  Fe88  1  0.775925  0.789630  0.680943  1
  Fe  Fe89  1  0.752465  0.191963  0.678719  1
  Fe  Fe90  1  0.135481  0.702757  0.705049  1
  Fe  Fe91  1  0.797141  0.347706  0.715687  1
  Fe  Fe92  1  0.399819  0.856575  0.690028  1
  Fe  Fe93  1  0.392957  0.109630  0.689330  1
  Fe  Fe94  1  0.795539  0.615944  0.715133  1
  Fe  Fe95  1  0.316539  0.484506  0.682534  1
  Fe  Fe96  1  0.726617  0.987814  0.710060  1
  P  P97  1  0.879219  0.306884  0.304083  1
  P  P98  1  0.490479  0.817704  0.278336  1
  P  P99  1  0.480320  0.148688  0.278410  1
  P  P100  1  0.897737  0.654405  0.304940  1
  P  P101  1  0.387498  0.484757  0.301374  1
  P  P102  1  0.994939  0.988244  0.276312  1
  P  P103  1  0.684970  0.318925  0.362771  1
  P  P104  1  0.287570  0.818784  0.336484  1
  P  P105  1  0.279426  0.148089  0.337838  1
  P  P106  1  0.687221  0.647746  0.363103  1
  P  P107  1  0.194321  0.483257  0.363746  1
  P  P108  1  0.784544  0.982432  0.337078  1
  P  P109  1  0.486612  0.317067  0.418890  1
  P  P110  1  0.083691  0.815269  0.391456  1
  P  P111  1  0.082815  0.150818  0.391861  1
  P  P112  1  0.486331  0.649080  0.418678  1
  P  P113  1  0.985743  0.483301  0.419026  1
  P  P114  1  0.584174  0.982489  0.391599  1
  P  P115  1  0.288555  0.316334  0.474709  1
  P  P116  1  0.886727  0.815719  0.446997  1
  P  P117  1  0.886567  0.150554  0.447071  1
  P  P118  1  0.288111  0.649880  0.474699  1
  P  P119  1  0.789328  0.483078  0.474731  1
  P  P120  1  0.388032  0.982908  0.447137  1
  P  P121  1  0.090319  0.316329  0.530205  1
  P  P122  1  0.688999  0.816070  0.502429  1
  P  P123  1  0.689134  0.150373  0.502420  1
  P  P124  1  0.090197  0.649895  0.530237  1
  P  P125  1  0.591449  0.483301  0.530273  1
  P  P126  1  0.189981  0.983039  0.502492  1
  P  P127  1  0.892196  0.317144  0.585816  1
  P  P128  1  0.491744  0.816133  0.557947  1
  P  P129  1  0.491651  0.150333  0.557842  1
  P  P130  1  0.892331  0.649683  0.585911  1
  P  P131  1  0.395009  0.483376  0.586040  1
  P  P132  1  0.991507  0.983098  0.557794  1
  P  P133  1  0.692090  0.315911  0.641615  1
  P  P134  1  0.294438  0.814701  0.613554  1
  P  P135  1  0.294213  0.152077  0.613332  1
  P  P136  1  0.694492  0.650992  0.641511  1
  P  P137  1  0.192474  0.483365  0.641503  1
  P  P138  1  0.793515  0.983189  0.613184  1
  P  P139  1  0.481402  0.315434  0.701828  1
  P  P140  1  0.093074  0.817453  0.668401  1
  P  P141  1  0.092236  0.149223  0.666896  1
  P  P142  1  0.488849  0.650902  0.699296  1
  P  P143  1  0.031593  0.482434  0.704342  1
  P  P144  1  0.599028  0.984217  0.668960  1
