# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.04786689
_cell_length_b   8.26375910
_cell_length_c   49.46501841
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.66892521
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe72 P72'
_cell_volume   4196.87081481
_cell_formula_units_Z   72
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  0.157499  0.482394  0.329448  1
  Fe  Fe2  1  0.683972  0.753174  0.287297  1
  Fe  Fe3  1  0.422326  0.624377  0.309125  1
  Fe  Fe4  1  0.164677  0.236524  0.284329  1
  Fe  Fe5  1  0.893021  0.086019  0.304668  1
  Fe  Fe6  1  0.621577  0.948602  0.326772  1
  Fe  Fe7  1  0.264647  0.055215  0.321495  1
  Fe  Fe8  1  0.840143  0.348796  0.275807  1
  Fe  Fe9  1  0.576695  0.214887  0.296746  1
  Fe  Fe10  1  0.036919  0.645503  0.293878  1
  Fe  Fe11  1  0.760580  0.505805  0.316743  1
  Fe  Fe12  1  0.479749  0.363954  0.341196  1
  Fe  Fe13  1  0.295478  0.070893  0.412054  1
  Fe  Fe14  1  0.842825  0.342703  0.363566  1
  Fe  Fe15  1  0.571892  0.207720  0.387468  1
  Fe  Fe16  1  0.351334  0.810810  0.350521  1
  Fe  Fe17  1  0.045255  0.667185  0.382083  1
  Fe  Fe18  1  0.775403  0.530007  0.405572  1
  Fe  Fe19  1  0.431179  0.649105  0.398285  1
  Fe  Fe20  1  0.988163  0.917659  0.347919  1
  Fe  Fe21  1  0.710013  0.786114  0.373538  1
  Fe  Fe22  1  0.207538  0.234317  0.367317  1
  Fe  Fe23  1  0.917762  0.092195  0.394394  1
  Fe  Fe24  1  0.638787  0.951869  0.419577  1
  Fe  Fe25  1  0.456113  0.658538  0.489782  1
  Fe  Fe26  1  0.013209  0.934494  0.438889  1
  Fe  Fe27  1  0.734624  0.796037  0.464599  1
  Fe  Fe28  1  0.496582  0.392140  0.430564  1
  Fe  Fe29  1  0.219060  0.255416  0.456085  1
  Fe  Fe30  1  0.939120  0.117600  0.482117  1
  Fe  Fe31  1  0.591650  0.235025  0.475614  1
  Fe  Fe32  1  0.151042  0.510085  0.423920  1
  Fe  Fe33  1  0.870661  0.372556  0.450362  1
  Fe  Fe34  1  0.361141  0.815283  0.444421  1
  Fe  Fe35  1  0.082786  0.678976  0.470610  1
  Fe  Fe36  1  0.802078  0.540580  0.496702  1
  Fe  Fe37  1  0.618833  0.246141  0.567001  1
  Fe  Fe38  1  0.176295  0.520681  0.515448  1
  Fe  Fe39  1  0.896356  0.382865  0.541481  1
  Fe  Fe40  1  0.659302  0.979743  0.507783  1
  Fe  Fe41  1  0.380792  0.842245  0.532966  1
  Fe  Fe42  1  0.102206  0.703787  0.558676  1
  Fe  Fe43  1  0.754275  0.822999  0.553144  1
  Fe  Fe44  1  0.313337  0.097701  0.500863  1
  Fe  Fe45  1  0.032629  0.959305  0.526955  1
  Fe  Fe46  1  0.523765  0.403256  0.521951  1
  Fe  Fe47  1  0.244754  0.265725  0.547203  1
  Fe  Fe48  1  0.964374  0.128197  0.573645  1
  Fe  Fe49  1  0.764082  0.827471  0.647044  1
  Fe  Fe50  1  0.340012  0.108275  0.591993  1
  Fe  Fe51  1  0.070160  0.971096  0.615482  1
  Fe  Fe52  1  0.819937  0.567388  0.585511  1
  Fe  Fe53  1  0.543523  0.430561  0.610097  1
  Fe  Fe54  1  0.272590  0.295578  0.633999  1
  Fe  Fe55  1  0.907878  0.403964  0.630248  1
  Fe  Fe56  1  0.476629  0.686413  0.577988  1
  Fe  Fe57  1  0.197653  0.546086  0.603171  1
  Fe  Fe58  1  0.684237  0.989176  0.599281  1
  Fe  Fe59  1  0.405402  0.852168  0.624027  1
  Fe  Fe60  1  0.127253  0.720622  0.649646  1
  Fe  Fe61  1  0.950738  0.401758  0.713236  1
  Fe  Fe62  1  0.493838  0.689679  0.670793  1
  Fe  Fe63  1  0.222394  0.552263  0.692897  1
  Fe  Fe64  1  0.957916  0.155887  0.668117  1
  Fe  Fe65  1  0.693089  0.013904  0.688441  1
  Fe  Fe66  1  0.431443  0.885107  0.710268  1
  Fe  Fe67  1  0.078496  0.992779  0.703687  1
  Fe  Fe68  1  0.635666  0.274328  0.656369  1
  Fe  Fe69  1  0.354835  0.132477  0.680822  1
  Fe  Fe70  1  0.850768  0.583067  0.676071  1
  Fe  Fe71  1  0.538720  0.423395  0.700819  1
  Fe  Fe72  1  0.275272  0.289486  0.721758  1
  P  P73  1  0.110241  0.170535  0.326600  1
  P  P74  1  0.683294  0.470793  0.269225  1
  P  P75  1  0.398687  0.315633  0.295973  1
  P  P76  1  0.215210  0.545579  0.282517  1
  P  P77  1  0.928894  0.393993  0.316628  1
  P  P78  1  0.641323  0.250637  0.339773  1
  P  P79  1  0.173969  0.944477  0.274221  1
  P  P80  1  0.898125  0.804019  0.300714  1
  P  P81  1  0.619812  0.658744  0.328482  1
  P  P82  1  0.139195  0.762258  0.337298  1
  P  P83  1  0.708390  0.048258  0.279897  1
  P  P84  1  0.421496  0.917241  0.306332  1
  P  P85  1  0.269378  0.761596  0.400317  1
  P  P86  1  0.829310  0.037481  0.351111  1
  P  P87  1  0.550642  0.900138  0.375517  1
  P  P88  1  0.362829  0.112018  0.363892  1
  P  P89  1  0.081246  0.980321  0.390845  1
  P  P90  1  0.800174  0.838214  0.416859  1
  P  P91  1  0.340445  0.524644  0.352057  1
  P  P92  1  0.058173  0.390175  0.377370  1
  P  P93  1  0.774811  0.246358  0.405417  1
  P  P94  1  0.294995  0.354321  0.412905  1
  P  P95  1  0.853772  0.629876  0.362294  1
  P  P96  1  0.574095  0.490764  0.387984  1
  P  P97  1  0.431523  0.349810  0.478381  1
  P  P98  1  0.990127  0.625159  0.428069  1
  P  P99  1  0.710496  0.487420  0.453181  1
  P  P100  1  0.521170  0.700529  0.442041  1
  P  P101  1  0.242332  0.563710  0.467341  1
  P  P102  1  0.962979  0.425811  0.493422  1
  P  P103  1  0.495679  0.108873  0.429984  1
  P  P104  1  0.216907  0.972345  0.455232  1
  P  P105  1  0.937680  0.835084  0.481731  1
  P  P106  1  0.456672  0.940861  0.490282  1
  P  P107  1  0.016325  0.217750  0.439014  1
  P  P108  1  0.736105  0.078299  0.465191  1
  P  P109  1  0.594245  0.937752  0.555525  1
  P  P110  1  0.152436  0.212470  0.504143  1
  P  P111  1  0.873083  0.074571  0.530225  1
  P  P112  1  0.683892  0.288471  0.519185  1
  P  P113  1  0.404919  0.150862  0.544385  1
  P  P114  1  0.125288  0.013122  0.569497  1
  P  P115  1  0.658743  0.697421  0.507283  1
  P  P116  1  0.379311  0.559983  0.532374  1
  P  P117  1  0.099090  0.420532  0.558551  1
  P  P118  1  0.619737  0.529408  0.567581  1
  P  P119  1  0.177736  0.803198  0.515835  1
  P  P120  1  0.898508  0.665937  0.542333  1
  P  P121  1  0.752586  0.526263  0.633673  1
  P  P122  1  0.315241  0.800068  0.580706  1
  P  P123  1  0.034169  0.657960  0.606720  1
  P  P124  1  0.846037  0.876685  0.597248  1
  P  P125  1  0.564773  0.738144  0.622048  1
  P  P126  1  0.286105  0.600800  0.646454  1
  P  P127  1  0.820421  0.283961  0.584660  1
  P  P128  1  0.541321  0.147518  0.609581  1
  P  P129  1  0.261643  0.008406  0.635271  1
  P  P130  1  0.774971  0.113638  0.645508  1
  P  P131  1  0.340605  0.391924  0.592148  1
  P  P132  1  0.057242  0.248107  0.620195  1
  P  P133  1  0.900205  0.092702  0.715049  1
  P  P134  1  0.474092  0.387644  0.657792  1
  P  P135  1  0.186521  0.244288  0.680938  1
  P  P136  1  0.005175  0.467747  0.670965  1
  P  P137  1  0.716729  0.322649  0.701593  1
  P  P138  1  0.432121  0.167488  0.728340  1
  P  P139  1  0.976220  0.876024  0.660267  1
  P  P140  1  0.693920  0.721040  0.691234  1
  P  P141  1  0.407025  0.590023  0.717668  1
  P  P142  1  0.941446  0.693805  0.723345  1
  P  P143  1  0.495603  0.979537  0.669084  1
  P  P144  1  0.217291  0.834263  0.696851  1
