# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15089931
_cell_length_b   14.09680530
_cell_length_c   46.85371206
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.15911607
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe108 P54'
_cell_volume   4062.57740448
_cell_formula_units_Z   54
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  0.195082  0.038024  0.290747  1
  Fe  Fe2  1  0.649903  0.614500  0.312182  1
  Fe  Fe3  1  0.084177  0.348957  0.297065  1
  Fe  Fe4  1  0.574965  0.775965  0.274250  1
  Fe  Fe5  1  0.617715  0.086699  0.276628  1
  Fe  Fe6  1  0.196772  0.675758  0.297503  1
  Fe  Fe7  1  0.825846  0.928919  0.274510  1
  Fe  Fe8  1  0.342573  0.505232  0.299034  1
  Fe  Fe9  1  0.237528  0.858731  0.292243  1
  Fe  Fe10  1  0.736450  0.426045  0.318565  1
  Fe  Fe11  1  0.341123  0.209473  0.289496  1
  Fe  Fe12  1  0.854078  0.777018  0.312217  1
  Fe  Fe13  1  0.147012  0.185789  0.336241  1
  Fe  Fe14  1  0.694114  0.746261  0.365262  1
  Fe  Fe15  1  0.078706  0.488953  0.343855  1
  Fe  Fe16  1  0.573739  0.932014  0.315905  1
  Fe  Fe17  1  0.688103  0.245911  0.320586  1
  Fe  Fe18  1  0.150575  0.807825  0.349460  1
  Fe  Fe19  1  0.842625  0.073588  0.322792  1
  Fe  Fe20  1  0.339020  0.641324  0.348489  1
  Fe  Fe21  1  0.235483  0.995619  0.343788  1
  Fe  Fe22  1  0.741106  0.566353  0.367965  1
  Fe  Fe23  1  0.352651  0.346955  0.336132  1
  Fe  Fe24  1  0.845146  0.919410  0.363642  1
  Fe  Fe25  1  0.151204  0.325903  0.387630  1
  Fe  Fe26  1  0.652548  0.897091  0.412839  1
  Fe  Fe27  1  0.081386  0.645956  0.391128  1
  Fe  Fe28  1  0.581307  0.058969  0.370734  1
  Fe  Fe29  1  0.690812  0.385944  0.371455  1
  Fe  Fe30  1  0.191244  0.958017  0.396827  1
  Fe  Fe31  1  0.838636  0.214056  0.372893  1
  Fe  Fe32  1  0.341364  0.785008  0.398496  1
  Fe  Fe33  1  0.238230  0.138620  0.393095  1
  Fe  Fe34  1  0.740372  0.708907  0.418208  1
  Fe  Fe35  1  0.343065  0.490803  0.388474  1
  Fe  Fe36  1  0.845595  0.061512  0.413144  1
  Fe  Fe37  1  0.192960  0.460107  0.439671  1
  Fe  Fe38  1  0.652424  0.039128  0.462517  1
  Fe  Fe39  1  0.081438  0.772561  0.445245  1
  Fe  Fe40  1  0.580315  0.201541  0.419917  1
  Fe  Fe41  1  0.651509  0.520772  0.423683  1
  Fe  Fe42  1  0.190835  0.099915  0.446536  1
  Fe  Fe43  1  0.841257  0.356411  0.423197  1
  Fe  Fe44  1  0.340552  0.926944  0.448350  1
  Fe  Fe45  1  0.239912  0.280562  0.442989  1
  Fe  Fe46  1  0.740013  0.852029  0.467941  1
  Fe  Fe47  1  0.344136  0.632369  0.438138  1
  Fe  Fe48  1  0.843647  0.203697  0.462960  1
  Fe  Fe49  1  0.152467  0.610302  0.487660  1
  Fe  Fe50  1  0.692981  0.173603  0.514617  1
  Fe  Fe51  1  0.081345  0.914681  0.494942  1
  Fe  Fe52  1  0.580840  0.359346  0.465853  1
  Fe  Fe53  1  0.691698  0.671092  0.471702  1
  Fe  Fe54  1  0.150390  0.234293  0.498585  1
  Fe  Fe55  1  0.841831  0.498272  0.473151  1
  Fe  Fe56  1  0.341685  0.069703  0.498178  1
  Fe  Fe57  1  0.240344  0.422597  0.492985  1
  Fe  Fe58  1  0.740527  0.993976  0.517950  1
  Fe  Fe59  1  0.345683  0.774591  0.488092  1
  Fe  Fe60  1  0.843775  0.346003  0.513133  1
  Fe  Fe61  1  0.152752  0.752100  0.537423  1
  Fe  Fe62  1  0.653521  0.323930  0.562679  1
  Fe  Fe63  1  0.081207  0.072945  0.540820  1
  Fe  Fe64  1  0.581244  0.485920  0.520184  1
  Fe  Fe65  1  0.692162  0.813036  0.521472  1
  Fe  Fe66  1  0.190795  0.384357  0.546740  1
  Fe  Fe67  1  0.841171  0.640096  0.523292  1
  Fe  Fe68  1  0.341629  0.212032  0.548138  1
  Fe  Fe69  1  0.240353  0.565080  0.542809  1
  Fe  Fe70  1  0.739962  0.136424  0.567885  1
  Fe  Fe71  1  0.344296  0.917053  0.537921  1
  Fe  Fe72  1  0.846056  0.487624  0.563106  1
  Fe  Fe73  1  0.194332  0.886586  0.589291  1
  Fe  Fe74  1  0.653032  0.465846  0.612580  1
  Fe  Fe75  1  0.080657  0.199606  0.594851  1
  Fe  Fe76  1  0.582288  0.627742  0.569861  1
  Fe  Fe77  1  0.651994  0.947686  0.573383  1
  Fe  Fe78  1  0.191792  0.526570  0.596353  1
  Fe  Fe79  1  0.843628  0.782722  0.573034  1
  Fe  Fe80  1  0.339737  0.353115  0.597881  1
  Fe  Fe81  1  0.241775  0.706967  0.592697  1
  Fe  Fe82  1  0.738195  0.279275  0.618051  1
  Fe  Fe83  1  0.344161  0.059472  0.588003  1
  Fe  Fe84  1  0.845826  0.630103  0.613145  1
  Fe  Fe85  1  0.154150  0.037626  0.637400  1
  Fe  Fe86  1  0.690623  0.598695  0.665277  1
  Fe  Fe87  1  0.074619  0.340853  0.646250  1
  Fe  Fe88  1  0.584076  0.785889  0.615063  1
  Fe  Fe89  1  0.690209  0.098124  0.621458  1
  Fe  Fe90  1  0.152157  0.658416  0.649556  1
  Fe  Fe91  1  0.844336  0.924925  0.622243  1
  Fe  Fe92  1  0.346707  0.496756  0.650632  1
  Fe  Fe93  1  0.242109  0.849586  0.642408  1
  Fe  Fe94  1  0.729059  0.422845  0.669099  1
  Fe  Fe95  1  0.344465  0.201379  0.638253  1
  Fe  Fe96  1  0.848503  0.770916  0.663334  1
  Fe  Fe97  1  0.152793  0.177330  0.685682  1
  Fe  Fe98  1  0.637673  0.749988  0.710242  1
  Fe  Fe99  1  0.065642  0.495932  0.689140  1
  Fe  Fe100  1  0.583283  0.910512  0.669794  1
  Fe  Fe101  1  0.685118  0.238658  0.670994  1
  Fe  Fe102  1  0.206928  0.813043  0.695055  1
  Fe  Fe103  1  0.845533  0.065698  0.673111  1
  Fe  Fe104  1  0.357955  0.634247  0.696725  1
  Fe  Fe105  1  0.233434  0.992666  0.691856  1
  Fe  Fe106  1  0.735889  0.565997  0.716494  1
  Fe  Fe107  1  0.337483  0.337676  0.686360  1
  Fe  Fe108  1  0.856782  0.912928  0.711806  1
  P  P109  1  0.960632  0.183094  0.287374  1
  P  P110  1  0.475725  0.758573  0.320209  1
  P  P111  1  0.472207  0.090289  0.320676  1
  P  P112  1  0.966606  0.516643  0.290519  1
  P  P113  1  0.972911  0.922987  0.318413  1
  P  P114  1  0.488406  0.353550  0.286251  1
  P  P115  1  0.975644  0.327979  0.343132  1
  P  P116  1  0.477301  0.897507  0.367337  1
  P  P117  1  0.471972  0.233567  0.368175  1
  P  P118  1  0.972302  0.658592  0.342027  1
  P  P119  1  0.971955  0.068004  0.367906  1
  P  P120  1  0.472307  0.493744  0.343622  1
  P  P121  1  0.976261  0.473622  0.393710  1
  P  P122  1  0.474754  0.042586  0.418201  1
  P  P123  1  0.475003  0.372728  0.416920  1
  P  P124  1  0.975046  0.806773  0.394403  1
  P  P125  1  0.973606  0.209610  0.417924  1
  P  P126  1  0.475370  0.637866  0.393117  1
  P  P127  1  0.975292  0.610736  0.442217  1
  P  P128  1  0.475283  0.187333  0.468937  1
  P  P129  1  0.475338  0.520520  0.469182  1
  P  P130  1  0.975139  0.946613  0.443221  1
  P  P131  1  0.974242  0.351175  0.468097  1
  P  P132  1  0.474828  0.780060  0.443155  1
  P  P133  1  0.975621  0.755623  0.493060  1
  P  P134  1  0.475227  0.324476  0.517121  1
  P  P135  1  0.475838  0.659748  0.518062  1
  P  P136  1  0.975154  0.086231  0.492050  1
  P  P137  1  0.974727  0.493442  0.517991  1
  P  P138  1  0.474792  0.922636  0.493044  1
  P  P139  1  0.976093  0.900704  0.543769  1
  P  P140  1  0.475411  0.468876  0.568207  1
  P  P141  1  0.476059  0.799172  0.566802  1
  P  P142  1  0.974656  0.234365  0.544105  1
  P  P143  1  0.975342  0.635472  0.568044  1
  P  P144  1  0.474538  0.064830  0.542995  1
  P  P145  1  0.976178  0.038353  0.591994  1
  P  P146  1  0.475415  0.612980  0.618728  1
  P  P147  1  0.476976  0.947533  0.618744  1
  P  P148  1  0.975989  0.373476  0.593612  1
  P  P149  1  0.976693  0.776765  0.618053  1
  P  P150  1  0.474159  0.206975  0.593042  1
  P  P151  1  0.971420  0.184301  0.642765  1
  P  P152  1  0.479944  0.754188  0.665688  1
  P  P153  1  0.480712  0.084435  0.668347  1
  P  P154  1  0.976008  0.513548  0.642093  1
  P  P155  1  0.974109  0.920528  0.666914  1
  P  P156  1  0.472320  0.352129  0.642534  1
  P  P157  1  0.961361  0.328564  0.698005  1
  P  P158  1  0.477796  0.909871  0.720855  1
  P  P159  1  0.470255  0.231730  0.717602  1
  P  P160  1  0.989780  0.667323  0.697660  1
  P  P161  1  0.968334  0.077682  0.720181  1
  P  P162  1  0.450375  0.481789  0.701713  1
