# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56761307
_cell_length_b   13.11106790
_cell_length_c   48.21606221
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.49712944
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe80 P80'
_cell_volume   5165.54335979
_cell_formula_units_Z   80
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  0.061041  0.238476  0.298215  1
  Fe  Fe2  1  0.785520  0.182876  0.337027  1
  Fe  Fe3  1  0.561041  0.738476  0.298215  1
  Fe  Fe4  1  0.285520  0.682876  0.337027  1
  Fe  Fe5  1  0.711338  0.342301  0.370765  1
  Fe  Fe6  1  0.993119  0.397515  0.331598  1
  Fe  Fe7  1  0.211338  0.842301  0.370765  1
  Fe  Fe8  1  0.493119  0.897515  0.331598  1
  Fe  Fe9  1  0.525697  0.437563  0.334212  1
  Fe  Fe10  1  0.796109  0.495543  0.296987  1
  Fe  Fe11  1  0.025697  0.937563  0.334212  1
  Fe  Fe12  1  0.296109  0.995543  0.296987  1
  Fe  Fe13  1  0.251580  0.144263  0.332497  1
  Fe  Fe14  1  0.963630  0.085320  0.373628  1
  Fe  Fe15  1  0.751580  0.644263  0.332497  1
  Fe  Fe16  1  0.463630  0.585320  0.373628  1
  Fe  Fe17  1  0.493571  0.128463  0.374277  1
  Fe  Fe18  1  0.178250  0.065953  0.420009  1
  Fe  Fe19  1  0.993571  0.628463  0.374277  1
  Fe  Fe20  1  0.678250  0.565953  0.420009  1
  Fe  Fe21  1  0.111754  0.224791  0.455813  1
  Fe  Fe22  1  0.411262  0.281743  0.413319  1
  Fe  Fe23  1  0.611754  0.724791  0.455813  1
  Fe  Fe24  1  0.911262  0.781743  0.413319  1
  Fe  Fe25  1  0.929516  0.321084  0.417093  1
  Fe  Fe26  1  0.227991  0.380235  0.375478  1
  Fe  Fe27  1  0.429516  0.821084  0.417093  1
  Fe  Fe28  1  0.727991  0.880235  0.375478  1
  Fe  Fe29  1  0.670345  0.031385  0.414586  1
  Fe  Fe30  1  0.371829  0.972906  0.456877  1
  Fe  Fe31  1  0.170345  0.531385  0.414586  1
  Fe  Fe32  1  0.871829  0.472906  0.456877  1
  Fe  Fe33  1  0.888288  0.009409  0.460549  1
  Fe  Fe34  1  0.593066  0.951951  0.502160  1
  Fe  Fe35  1  0.388288  0.509409  0.460549  1
  Fe  Fe36  1  0.093066  0.451951  0.502160  1
  Fe  Fe37  1  0.522815  0.109610  0.538830  1
  Fe  Fe38  1  0.818037  0.167067  0.497219  1
  Fe  Fe39  1  0.022815  0.609610  0.538830  1
  Fe  Fe40  1  0.318037  0.667067  0.497219  1
  Fe  Fe41  1  0.335364  0.204458  0.500716  1
  Fe  Fe42  1  0.630371  0.261807  0.458851  1
  Fe  Fe43  1  0.835364  0.704458  0.500716  1
  Fe  Fe44  1  0.130371  0.761807  0.458851  1
  Fe  Fe45  1  0.075739  0.914560  0.498663  1
  Fe  Fe46  1  0.780732  0.857211  0.540528  1
  Fe  Fe47  1  0.575739  0.414560  0.498663  1
  Fe  Fe48  1  0.280732  0.357211  0.540528  1
  Fe  Fe49  1  0.299349  0.894228  0.543565  1
  Fe  Fe50  1  0.999841  0.837276  0.586060  1
  Fe  Fe51  1  0.799349  0.394228  0.543565  1
  Fe  Fe52  1  0.499841  0.337276  0.586060  1
  Fe  Fe53  1  0.917533  0.990556  0.625102  1
  Fe  Fe54  1  0.232853  0.053066  0.579369  1
  Fe  Fe55  1  0.417533  0.490556  0.625102  1
  Fe  Fe56  1  0.732853  0.553066  0.579369  1
  Fe  Fe57  1  0.740758  0.087633  0.584793  1
  Fe  Fe58  1  0.039274  0.146112  0.542502  1
  Fe  Fe59  1  0.240758  0.587633  0.584793  1
  Fe  Fe60  1  0.539274  0.646112  0.542502  1
  Fe  Fe61  1  0.481587  0.797934  0.582286  1
  Fe  Fe62  1  0.183112  0.738783  0.623901  1
  Fe  Fe63  1  0.981587  0.297934  0.582286  1
  Fe  Fe64  1  0.683112  0.238783  0.623901  1
  Fe  Fe65  1  0.699765  0.776718  0.628614  1
  Fe  Fe66  1  0.417984  0.721504  0.667781  1
  Fe  Fe67  1  0.199765  0.276718  0.628614  1
  Fe  Fe68  1  0.917984  0.221504  0.667781  1
  Fe  Fe69  1  0.350062  0.880542  0.701164  1
  Fe  Fe70  1  0.625583  0.936142  0.662352  1
  Fe  Fe71  1  0.850062  0.380542  0.701164  1
  Fe  Fe72  1  0.125583  0.436142  0.662352  1
  Fe  Fe73  1  0.159523  0.974755  0.666881  1
  Fe  Fe74  1  0.447473  0.033699  0.625750  1
  Fe  Fe75  1  0.659523  0.474755  0.666881  1
  Fe  Fe76  1  0.947473  0.533699  0.625750  1
  Fe  Fe77  1  0.885406  0.681456  0.665167  1
  Fe  Fe78  1  0.614994  0.623475  0.702392  1
  Fe  Fe79  1  0.385406  0.181456  0.665167  1
  Fe  Fe80  1  0.114994  0.123475  0.702392  1
  P  P81  1  0.292565  0.494612  0.336390  1
  P  P82  1  0.581958  0.559181  0.292477  1
  P  P83  1  0.792565  0.994612  0.336390  1
  P  P84  1  0.081958  0.059181  0.292477  1
  P  P85  1  0.500582  0.093581  0.323096  1
  P  P86  1  0.197660  0.030100  0.369351  1
  P  P87  1  1.000582  0.593581  0.323096  1
  P  P88  1  0.697660  0.530100  0.369351  1
  P  P89  1  0.355344  0.300009  0.297783  1
  P  P90  1  0.065537  0.240547  0.343823  1
  P  P91  1  0.855344  0.800009  0.297783  1
  P  P92  1  0.565537  0.740547  0.343823  1
  P  P93  1  0.432061  0.284094  0.364889  1
  P  P94  1  0.725869  0.339912  0.320055  1
  P  P95  1  0.932061  0.784094  0.364889  1
  P  P96  1  0.225869  0.839912  0.320055  1
  P  P97  1  0.701722  0.378303  0.421668  1
  P  P98  1  0.999147  0.439610  0.379656  1
  P  P99  1  0.201722  0.878303  0.421668  1
  P  P100  1  0.499147  0.939610  0.379656  1
  P  P101  1  0.895567  0.970624  0.410454  1
  P  P102  1  0.599265  0.914362  0.452079  1
  P  P103  1  0.395567  0.470624  0.410454  1
  P  P104  1  0.099265  0.414362  0.452079  1
  P  P105  1  0.766027  0.183455  0.383773  1
  P  P106  1  0.464618  0.124642  0.424285  1
  P  P107  1  0.266027  0.683455  0.383773  1
  P  P108  1  0.964618  0.624642  0.424285  1
  P  P109  1  0.832910  0.167930  0.449205  1
  P  P110  1  0.133364  0.225661  0.407874  1
  P  P111  1  0.332910  0.667930  0.449205  1
  P  P112  1  0.633364  0.725661  0.407874  1
  P  P113  1  0.108014  0.263219  0.505474  1
  P  P114  1  0.403964  0.320613  0.463702  1
  P  P115  1  0.608014  0.763219  0.505474  1
  P  P116  1  0.903964  0.820613  0.463702  1
  P  P117  1  0.303089  0.855799  0.493905  1
  P  P118  1  0.007139  0.798406  0.535677  1
  P  P119  1  0.803089  0.355799  0.493905  1
  P  P120  1  0.507139  0.298406  0.535677  1
  P  P121  1  0.169242  0.066598  0.467018  1
  P  P122  1  0.873335  0.008817  0.508624  1
  P  P123  1  0.669242  0.566598  0.467018  1
  P  P124  1  0.373335  0.508817  0.508624  1
  P  P125  1  0.241861  0.052420  0.532361  1
  P  P126  1  0.537768  0.110202  0.490755  1
  P  P127  1  0.741861  0.552420  0.532361  1
  P  P128  1  0.037768  0.610202  0.490755  1
  P  P129  1  0.515536  0.148395  0.588925  1
  P  P130  1  0.811838  0.204657  0.547300  1
  P  P131  1  0.015536  0.648395  0.588925  1
  P  P132  1  0.311838  0.704657  0.547300  1
  P  P133  1  0.709381  0.740716  0.577710  1
  P  P134  1  0.411956  0.679409  0.619723  1
  P  P135  1  0.209381  0.240716  0.577710  1
  P  P136  1  0.911956  0.179409  0.619723  1
  P  P137  1  0.578193  0.951089  0.550174  1
  P  P138  1  0.277739  0.893357  0.591505  1
  P  P139  1  0.078193  0.451089  0.550174  1
  P  P140  1  0.777739  0.393357  0.591505  1
  P  P141  1  0.645076  0.935563  0.615606  1
  P  P142  1  0.946485  0.994377  0.575093  1
  P  P143  1  0.145076  0.435563  0.615606  1
  P  P144  1  0.446485  0.494377  0.575093  1
  P  P145  1  0.910521  0.025438  0.676282  1
  P  P146  1  0.213443  0.088918  0.630028  1
  P  P147  1  0.410521  0.525438  0.676282  1
  P  P148  1  0.713443  0.588918  0.630028  1
  P  P149  1  0.118539  0.624407  0.662989  1
  P  P150  1  0.829145  0.559838  0.706902  1
  P  P151  1  0.618539  0.124407  0.662989  1
  P  P152  1  0.329145  0.059838  0.706902  1
  P  P153  1  0.979042  0.834925  0.634490  1
  P  P154  1  0.685234  0.779107  0.679324  1
  P  P155  1  0.479042  0.334925  0.634490  1
  P  P156  1  0.185234  0.279107  0.679324  1
  P  P157  1  0.055759  0.819009  0.701596  1
  P  P158  1  0.345566  0.878471  0.655556  1
  P  P159  1  0.555759  0.319009  0.701596  1
  P  P160  1  0.845566  0.378471  0.655556  1
