# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.08996065
_cell_length_b   6.16416692
_cell_length_c   51.08721308
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.89391841
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe90 P45'
_cell_volume   3355.26534131
_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  0.156421  0.175879  0.300142  1
  Fe  Fe2  1  0.657249  0.423415  0.358336  1
  Fe  Fe3  1  0.906818  0.344925  0.326461  1
  Fe  Fe4  1  0.107130  0.762813  0.282773  1
  Fe  Fe5  1  0.605259  0.984920  0.338838  1
  Fe  Fe6  1  0.852486  0.831878  0.307609  1
  Fe  Fe7  1  0.256075  0.742161  0.330854  1
  Fe  Fe8  1  0.514812  0.609817  0.307054  1
  Fe  Fe9  1  0.757603  0.486326  0.279073  1
  Fe  Fe10  1  0.385701  0.015322  0.319321  1
  Fe  Fe11  1  0.632615  0.882653  0.290079  1
  Fe  Fe12  1  0.135367  0.139261  0.349636  1
  Fe  Fe13  1  0.302669  0.453563  0.294717  1
  Fe  Fe14  1  0.818257  0.696643  0.355655  1
  Fe  Fe15  1  0.066211  0.569605  0.324504  1
  Fe  Fe16  1  0.451069  0.372373  0.341696  1
  Fe  Fe17  1  0.700046  0.240118  0.312282  1
  Fe  Fe18  1  0.946454  0.132011  0.283876  1
  Fe  Fe19  1  0.413855  0.542779  0.390781  1
  Fe  Fe20  1  0.913458  0.793824  0.451090  1
  Fe  Fe21  1  0.156695  0.713632  0.418402  1
  Fe  Fe22  1  0.360992  0.112423  0.370943  1
  Fe  Fe23  1  0.860162  0.361701  0.431784  1
  Fe  Fe24  1  0.103539  0.197786  0.398935  1
  Fe  Fe25  1  0.502678  0.110512  0.422581  1
  Fe  Fe26  1  0.751000  0.986699  0.392375  1
  Fe  Fe27  1  0.015028  0.854565  0.367815  1
  Fe  Fe28  1  0.634601  0.385411  0.410178  1
  Fe  Fe29  1  0.883967  0.261620  0.380218  1
  Fe  Fe30  1  0.384428  0.510046  0.440412  1
  Fe  Fe31  1  0.566573  0.816943  0.385766  1
  Fe  Fe32  1  0.067892  0.065764  0.446387  1
  Fe  Fe33  1  0.316815  0.941451  0.416151  1
  Fe  Fe34  1  0.700142  0.752118  0.433564  1
  Fe  Fe35  1  0.949034  0.625861  0.403720  1
  Fe  Fe36  1  0.198697  0.501529  0.373874  1
  Fe  Fe37  1  0.664997  0.920089  0.481115  1
  Fe  Fe38  1  0.164967  0.168955  0.542234  1
  Fe  Fe39  1  0.408022  0.085214  0.509349  1
  Fe  Fe40  1  0.612016  0.484330  0.461871  1
  Fe  Fe41  1  0.111005  0.734272  0.522644  1
  Fe  Fe42  1  0.357809  0.575248  0.491100  1
  Fe  Fe43  1  0.753052  0.485964  0.513712  1
  Fe  Fe44  1  0.002751  0.360522  0.483311  1
  Fe  Fe45  1  0.266672  0.228768  0.458107  1
  Fe  Fe46  1  0.885717  0.759518  0.501221  1
  Fe  Fe47  1  0.135182  0.634513  0.470775  1
  Fe  Fe48  1  0.636222  0.883770  0.531211  1
  Fe  Fe49  1  0.817753  0.188909  0.476528  1
  Fe  Fe50  1  0.318372  0.439251  0.537249  1
  Fe  Fe51  1  0.568542  0.314247  0.506761  1
  Fe  Fe52  1  0.950961  0.127199  0.524834  1
  Fe  Fe53  1  0.200874  0.001446  0.494592  1
  Fe  Fe54  1  0.450384  0.877033  0.464157  1
  Fe  Fe55  1  0.916007  0.295093  0.572064  1
  Fe  Fe56  1  0.409217  0.589445  0.630606  1
  Fe  Fe57  1  0.666070  0.417721  0.602441  1
  Fe  Fe58  1  0.862816  0.855477  0.552792  1
  Fe  Fe59  1  0.355921  0.069865  0.610751  1
  Fe  Fe60  1  0.613128  0.983151  0.583206  1
  Fe  Fe61  1  0.004114  0.858740  0.604212  1
  Fe  Fe62  1  0.262136  0.739660  0.576641  1
  Fe  Fe63  1  0.507360  0.601415  0.544524  1
  Fe  Fe64  1  0.136994  0.135507  0.591865  1
  Fe  Fe65  1  0.386542  0.009729  0.561440  1
  Fe  Fe66  1  0.887428  0.261780  0.621833  1
  Fe  Fe67  1  0.069051  0.561649  0.567515  1
  Fe  Fe68  1  0.571266  0.812371  0.627553  1
  Fe  Fe69  1  0.819937  0.685031  0.597517  1
  Fe  Fe70  1  0.203370  0.499952  0.616037  1
  Fe  Fe71  1  0.452592  0.375309  0.585538  1
  Fe  Fe72  1  0.701999  0.252121  0.554966  1
  Fe  Fe73  1  0.169163  0.677745  0.664062  1
  Fe  Fe74  1  0.670529  0.978565  0.718615  1
  Fe  Fe75  1  0.917602  0.803715  0.692274  1
  Fe  Fe76  1  0.115597  0.228503  0.644813  1
  Fe  Fe77  1  0.616868  0.442889  0.701322  1
  Fe  Fe78  1  0.863818  0.356439  0.674072  1
  Fe  Fe79  1  0.266326  0.244041  0.694021  1
  Fe  Fe80  1  0.517230  0.110157  0.670752  1
  Fe  Fe81  1  0.756100  0.982451  0.634126  1
  Fe  Fe82  1  0.385191  0.523104  0.682979  1
  Fe  Fe83  1  0.635293  0.389918  0.651898  1
  Fe  Fe84  1  0.134333  0.643131  0.711949  1
  Fe  Fe85  1  0.316750  0.934899  0.660323  1
  Fe  Fe86  1  0.844573  0.157910  0.718646  1
  Fe  Fe87  1  0.070156  0.050356  0.689623  1
  Fe  Fe88  1  0.469319  0.872207  0.707099  1
  Fe  Fe89  1  0.705399  0.747386  0.676825  1
  Fe  Fe90  1  0.954641  0.622549  0.646570  1
  P  P91  1  0.314901  0.826166  0.285582  1
  P  P92  1  0.803984  0.070559  0.349258  1
  P  P93  1  0.047973  0.949277  0.321404  1
  P  P94  1  0.465802  0.734988  0.350269  1
  P  P95  1  0.718738  0.611779  0.321086  1
  P  P96  1  0.975184  0.493872  0.284101  1
  P  P97  1  0.258883  0.343848  0.334729  1
  P  P98  1  0.502829  0.228067  0.298766  1
  P  P99  1  0.768123  0.080529  0.269577  1
  P  P100  1  0.550212  0.193576  0.379286  1
  P  P101  1  0.055208  0.440369  0.439747  1
  P  P102  1  0.296257  0.319405  0.410473  1
  P  P103  1  0.717275  0.108628  0.440156  1
  P  P104  1  0.962213  0.986980  0.410812  1
  P  P105  1  0.222177  0.855186  0.378958  1
  P  P106  1  0.508653  0.713626  0.425022  1
  P  P107  1  0.757127  0.588808  0.394193  1
  P  P108  1  0.007638  0.465800  0.364240  1
  P  P109  1  0.801259  0.567029  0.470519  1
  P  P110  1  0.303919  0.816888  0.530722  1
  P  P111  1  0.547546  0.697455  0.500670  1
  P  P112  1  0.968010  0.482531  0.531109  1
  P  P113  1  0.213233  0.361451  0.501447  1
  P  P114  1  0.472500  0.232714  0.469878  1
  P  P115  1  0.760201  0.087770  0.515920  1
  P  P116  1  0.009750  0.963216  0.485682  1
  P  P117  1  0.259497  0.837399  0.455514  1
  P  P118  1  0.054510  0.938285  0.561565  1
  P  P119  1  0.548107  0.191047  0.622722  1
  P  P120  1  0.802391  0.066126  0.591509  1
  P  P121  1  0.215775  0.859583  0.622325  1
  P  P122  1  0.473067  0.730016  0.590991  1
  P  P123  1  0.719655  0.608300  0.561225  1
  P  P124  1  0.013030  0.462572  0.607302  1
  P  P125  1  0.261371  0.341324  0.576706  1
  P  P126  1  0.511024  0.210025  0.546313  1
  P  P127  1  0.307771  0.312140  0.651520  1
  P  P128  1  0.796120  0.567281  0.716104  1
  P  P129  1  0.052760  0.435639  0.683894  1
  P  P130  1  0.460620  0.257727  0.716229  1
  P  P131  1  0.723124  0.111161  0.679951  1
  P  P132  1  0.969869  0.983175  0.650955  1
  P  P133  1  0.261709  0.861798  0.704937  1
  P  P134  1  0.510826  0.718840  0.667022  1
  P  P135  1  0.762685  0.588282  0.637185  1
