# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15802181
_cell_length_b   11.09171707
_cell_length_c   51.13030628
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.97285445
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe90 P45'
_cell_volume   3356.61076862
_cell_formula_units_Z   45
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  0.761463  0.852471  0.296892  1
  Fe  Fe2  1  0.507232  0.352123  0.354809  1
  Fe  Fe3  1  0.595075  0.102158  0.323204  1
  Fe  Fe4  1  0.191409  0.752132  0.327584  1
  Fe  Fe5  1  0.313876  0.494773  0.304195  1
  Fe  Fe6  1  0.434895  0.250489  0.276009  1
  Fe  Fe7  1  0.163731  0.905984  0.279677  1
  Fe  Fe8  1  0.949524  0.406490  0.334528  1
  Fe  Fe9  1  0.104203  0.155849  0.304918  1
  Fe  Fe10  1  0.476510  0.705779  0.291252  1
  Fe  Fe11  1  0.239137  0.189007  0.352827  1
  Fe  Fe12  1  0.364743  0.941724  0.321429  1
  Fe  Fe13  1  0.913527  0.621729  0.315664  1
  Fe  Fe14  1  0.041212  0.370975  0.286623  1
  Fe  Fe15  1  0.795641  0.871597  0.346280  1
  Fe  Fe16  1  0.563435  0.556007  0.338024  1
  Fe  Fe17  1  0.694844  0.307982  0.308554  1
  Fe  Fe18  1  0.812419  0.086156  0.279451  1
  Fe  Fe19  1  0.393685  0.593115  0.387464  1
  Fe  Fe20  1  0.100532  0.099270  0.445399  1
  Fe  Fe21  1  0.224656  0.849658  0.415224  1
  Fe  Fe22  1  0.824996  0.505107  0.419533  1
  Fe  Fe23  1  0.952120  0.242441  0.394075  1
  Fe  Fe24  1  0.082647  0.990926  0.364520  1
  Fe  Fe25  1  0.821298  0.646070  0.367698  1
  Fe  Fe26  1  0.610173  0.152592  0.426133  1
  Fe  Fe27  1  0.736082  0.902997  0.395761  1
  Fe  Fe28  1  0.117768  0.440446  0.382733  1
  Fe  Fe29  1  0.867505  0.938284  0.443326  1
  Fe  Fe30  1  0.993262  0.689764  0.412877  1
  Fe  Fe31  1  0.549836  0.373109  0.406960  1
  Fe  Fe32  1  0.672853  0.123258  0.376975  1
  Fe  Fe33  1  0.425271  0.622974  0.437001  1
  Fe  Fe34  1  0.188364  0.305578  0.430773  1
  Fe  Fe35  1  0.314787  0.057077  0.400718  1
  Fe  Fe36  1  0.435879  0.808012  0.370587  1
  Fe  Fe37  1  0.019296  0.341894  0.478281  1
  Fe  Fe38  1  0.725442  0.847418  0.536401  1
  Fe  Fe39  1  0.849994  0.598645  0.506125  1
  Fe  Fe40  1  0.451340  0.253292  0.510121  1
  Fe  Fe41  1  0.582738  0.989721  0.484830  1
  Fe  Fe42  1  0.706830  0.740792  0.454538  1
  Fe  Fe43  1  0.449506  0.395123  0.458918  1
  Fe  Fe44  1  0.238077  0.900632  0.517057  1
  Fe  Fe45  1  0.362243  0.651854  0.486821  1
  Fe  Fe46  1  0.744143  0.188271  0.473527  1
  Fe  Fe47  1  0.494327  0.686954  0.534267  1
  Fe  Fe48  1  0.619816  0.437729  0.503797  1
  Fe  Fe49  1  0.176381  0.121688  0.497508  1
  Fe  Fe50  1  0.300434  0.872620  0.467113  1
  Fe  Fe51  1  0.051592  0.371411  0.527752  1
  Fe  Fe52  1  0.813725  0.054152  0.521801  1
  Fe  Fe53  1  0.939823  0.804864  0.491592  1
  Fe  Fe54  1  0.062742  0.555659  0.461251  1
  Fe  Fe55  1  0.644324  0.089946  0.569135  1
  Fe  Fe56  1  0.349966  0.596594  0.627342  1
  Fe  Fe57  1  0.476493  0.346600  0.596833  1
  Fe  Fe58  1  0.077269  0.001719  0.600942  1
  Fe  Fe59  1  0.208845  0.738489  0.575720  1
  Fe  Fe60  1  0.333087  0.489501  0.545434  1
  Fe  Fe61  1  0.076684  0.143211  0.549817  1
  Fe  Fe62  1  0.864624  0.649611  0.607676  1
  Fe  Fe63  1  0.988612  0.399955  0.577639  1
  Fe  Fe64  1  0.370985  0.936746  0.564531  1
  Fe  Fe65  1  0.121101  0.434127  0.624527  1
  Fe  Fe66  1  0.246907  0.185573  0.594585  1
  Fe  Fe67  1  0.801895  0.870479  0.588349  1
  Fe  Fe68  1  0.926063  0.621358  0.557888  1
  Fe  Fe69  1  0.676272  0.119411  0.618395  1
  Fe  Fe70  1  0.438748  0.802805  0.612964  1
  Fe  Fe71  1  0.565502  0.553050  0.582415  1
  Fe  Fe72  1  0.688687  0.303946  0.552090  1
  Fe  Fe73  1  0.262606  0.837616  0.660956  1
  Fe  Fe74  1  0.962707  0.341380  0.715600  1
  Fe  Fe75  1  0.102545  0.093441  0.687441  1
  Fe  Fe76  1  0.696500  0.742420  0.690669  1
  Fe  Fe77  1  0.827746  0.488754  0.667173  1
  Fe  Fe78  1  0.959042  0.237143  0.635580  1
  Fe  Fe79  1  0.704746  0.890782  0.641537  1
  Fe  Fe80  1  0.490901  0.391088  0.698186  1
  Fe  Fe81  1  0.610087  0.145644  0.669583  1
  Fe  Fe82  1  0.999781  0.687521  0.656495  1
  Fe  Fe83  1  0.748020  0.182687  0.714719  1
  Fe  Fe84  1  0.880837  0.934812  0.686352  1
  Fe  Fe85  1  0.420579  0.620024  0.679120  1
  Fe  Fe86  1  0.548159  0.370620  0.648373  1
  Fe  Fe87  1  0.308273  0.865587  0.708602  1
  Fe  Fe88  1  0.070023  0.537396  0.703572  1
  Fe  Fe89  1  0.193456  0.300491  0.673685  1
  Fe  Fe90  1  0.316532  0.051030  0.643727  1
  P  P91  1  0.199350  0.542352  0.347050  1
  P  P92  1  0.323264  0.289285  0.318280  1
  P  P93  1  0.455121  0.029488  0.281642  1
  P  P94  1  0.104803  0.693187  0.282334  1
  P  P95  1  0.867529  0.204180  0.347311  1
  P  P96  1  0.983495  0.961118  0.318136  1
  P  P97  1  0.589247  0.748464  0.331089  1
  P  P98  1  0.697797  0.501547  0.293270  1
  P  P99  1  0.470476  0.999616  0.360920  1
  P  P100  1  0.825921  0.293530  0.437691  1
  P  P101  1  0.952359  0.038954  0.407038  1
  P  P102  1  0.080246  0.784587  0.375616  1
  P  P103  1  0.746052  0.453630  0.376318  1
  P  P104  1  0.493765  0.955485  0.437121  1
  P  P105  1  0.615530  0.711221  0.407266  1
  P  P106  1  0.221666  0.498139  0.421859  1
  P  P107  1  0.344832  0.250506  0.390979  1
  P  P108  1  0.097256  0.747427  0.452132  1
  P  P109  1  0.451337  0.041988  0.528401  1
  P  P110  1  0.578019  0.788203  0.497629  1
  P  P111  1  0.704999  0.534429  0.466810  1
  P  P112  1  0.371790  0.200191  0.466769  1
  P  P113  1  0.120266  0.704242  0.527959  1
  P  P114  1  0.242209  0.459895  0.498225  1
  P  P115  1  0.848370  0.246147  0.512757  1
  P  P116  1  0.972797  0.996971  0.482402  1
  P  P117  1  0.723660  0.495710  0.542994  1
  P  P118  1  0.076119  0.790458  0.619392  1
  P  P119  1  0.203719  0.537170  0.588443  1
  P  P120  1  0.330834  0.282981  0.557481  1
  P  P121  1  0.998064  0.948487  0.557619  1
  P  P122  1  0.746862  0.453343  0.618752  1
  P  P123  1  0.868196  0.208092  0.588920  1
  P  P124  1  0.474018  0.993571  0.604079  1
  P  P125  1  0.598586  0.745262  0.573462  1
  P  P126  1  0.349009  0.242986  0.633957  1
  P  P127  1  0.683791  0.547404  0.712807  1
  P  P128  1  0.824799  0.287454  0.677373  1
  P  P129  1  0.955781  0.032003  0.648043  1
  P  P130  1  0.625262  0.697232  0.648095  1
  P  P131  1  0.359875  0.205651  0.712053  1
  P  P132  1  0.497672  0.957412  0.680832  1
  P  P133  1  0.084958  0.739690  0.699277  1
  P  P134  1  0.220634  0.494551  0.663400  1
  P  P135  1  0.990837  0.006118  0.727817  1
