# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.78374532
_cell_length_b   15.06047894
_cell_length_c   47.66695413
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.80073604
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe216 P216'
_cell_volume   13567.3917537
_cell_formula_units_Z   216
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  0.336840  0.912598  0.318807  1
  Fe  Fe2  1  0.003507  0.912598  0.318807  1
  Fe  Fe3  1  0.363674  0.474960  0.296969  1
  Fe  Fe4  1  0.670173  0.912598  0.318807  1
  Fe  Fe5  1  0.030341  0.474960  0.296969  1
  Fe  Fe6  1  0.697007  0.474960  0.296969  1
  Fe  Fe7  1  0.660798  0.120077  0.326845  1
  Fe  Fe8  1  0.327465  0.120077  0.326845  1
  Fe  Fe9  1  0.690619  0.664185  0.302815  1
  Fe  Fe10  1  0.994131  0.120077  0.326845  1
  Fe  Fe11  1  0.357286  0.664185  0.302815  1
  Fe  Fe12  1  0.023953  0.664185  0.302815  1
  Fe  Fe13  1  0.517906  0.209276  0.306803  1
  Fe  Fe14  1  0.184573  0.209276  0.306803  1
  Fe  Fe15  1  0.486599  0.639763  0.328109  1
  Fe  Fe16  1  0.851240  0.209276  0.306803  1
  Fe  Fe17  1  0.153265  0.639763  0.328109  1
  Fe  Fe18  1  0.819932  0.639763  0.328109  1
  Fe  Fe19  1  0.531008  0.957373  0.295670  1
  Fe  Fe20  1  0.197674  0.957373  0.295670  1
  Fe  Fe21  1  0.509266  0.392594  0.313216  1
  Fe  Fe22  1  0.864341  0.957373  0.295670  1
  Fe  Fe23  1  0.175932  0.392594  0.313216  1
  Fe  Fe24  1  0.842599  0.392594  0.313216  1
  Fe  Fe25  1  0.285860  0.815728  0.360994  1
  Fe  Fe26  1  0.952527  0.815728  0.360994  1
  Fe  Fe27  1  0.314481  0.370884  0.337037  1
  Fe  Fe28  1  0.619193  0.815728  0.360994  1
  Fe  Fe29  1  0.981148  0.370884  0.337037  1
  Fe  Fe30  1  0.647815  0.370884  0.337037  1
  Fe  Fe31  1  0.610485  0.006288  0.366817  1
  Fe  Fe32  1  0.277152  0.006288  0.366817  1
  Fe  Fe33  1  0.635474  0.565827  0.343240  1
  Fe  Fe34  1  0.943818  0.006288  0.366817  1
  Fe  Fe35  1  0.302141  0.565827  0.343240  1
  Fe  Fe36  1  0.968808  0.565827  0.343240  1
  Fe  Fe37  1  0.468115  0.086741  0.345830  1
  Fe  Fe38  1  0.134782  0.086741  0.345830  1
  Fe  Fe39  1  0.435579  0.531482  0.375994  1
  Fe  Fe40  1  0.801448  0.086741  0.345830  1
  Fe  Fe41  1  0.102246  0.531482  0.375994  1
  Fe  Fe42  1  0.768913  0.531482  0.375994  1
  Fe  Fe43  1  0.482565  0.840671  0.335121  1
  Fe  Fe44  1  0.149232  0.840671  0.335121  1
  Fe  Fe45  1  0.459561  0.277063  0.357860  1
  Fe  Fe46  1  0.815899  0.840671  0.335121  1
  Fe  Fe47  1  0.126228  0.277063  0.357860  1
  Fe  Fe48  1  0.792895  0.277063  0.357860  1
  Fe  Fe49  1  0.232595  0.688721  0.413290  1
  Fe  Fe50  1  0.899262  0.688721  0.413290  1
  Fe  Fe51  1  0.258979  0.244331  0.390838  1
  Fe  Fe52  1  0.565929  0.688721  0.413290  1
  Fe  Fe53  1  0.925646  0.244331  0.390838  1
  Fe  Fe54  1  0.592313  0.244331  0.390838  1
  Fe  Fe55  1  0.554755  0.886261  0.418293  1
  Fe  Fe56  1  0.221422  0.886261  0.418293  1
  Fe  Fe57  1  0.581432  0.442211  0.395248  1
  Fe  Fe58  1  0.888088  0.886261  0.418293  1
  Fe  Fe59  1  0.248098  0.442211  0.395248  1
  Fe  Fe60  1  0.914765  0.442211  0.395248  1
  Fe  Fe61  1  0.407637  0.970543  0.402240  1
  Fe  Fe62  1  0.074304  0.970543  0.402240  1
  Fe  Fe63  1  0.383084  0.417198  0.423191  1
  Fe  Fe64  1  0.740971  0.970543  0.402240  1
  Fe  Fe65  1  0.049751  0.417198  0.423191  1
  Fe  Fe66  1  0.716418  0.417198  0.423191  1
  Fe  Fe67  1  0.433155  0.725317  0.381950  1
  Fe  Fe68  1  0.099822  0.725317  0.381950  1
  Fe  Fe69  1  0.410513  0.170844  0.403222  1
  Fe  Fe70  1  0.766488  0.725317  0.381950  1
  Fe  Fe71  1  0.077180  0.170844  0.403222  1
  Fe  Fe72  1  0.743846  0.170844  0.403222  1
  Fe  Fe73  1  0.183438  0.581807  0.459934  1
  Fe  Fe74  1  0.850104  0.581807  0.459934  1
  Fe  Fe75  1  0.208883  0.137771  0.435594  1
  Fe  Fe76  1  0.516771  0.581807  0.459934  1
  Fe  Fe77  1  0.875549  0.137771  0.435594  1
  Fe  Fe78  1  0.542216  0.137771  0.435594  1
  Fe  Fe79  1  0.504958  0.778142  0.465046  1
  Fe  Fe80  1  0.171625  0.778142  0.465046  1
  Fe  Fe81  1  0.531122  0.332777  0.441356  1
  Fe  Fe82  1  0.838291  0.778142  0.465046  1
  Fe  Fe83  1  0.197789  0.332777  0.441356  1
  Fe  Fe84  1  0.864455  0.332777  0.441356  1
  Fe  Fe85  1  0.356863  0.861559  0.447157  1
  Fe  Fe86  1  0.023530  0.861559  0.447157  1
  Fe  Fe87  1  0.332700  0.305603  0.471127  1
  Fe  Fe88  1  0.690197  0.861559  0.447157  1
  Fe  Fe89  1  0.999367  0.305603  0.471127  1
  Fe  Fe90  1  0.666034  0.305603  0.471127  1
  Fe  Fe91  1  0.381048  0.609839  0.430178  1
  Fe  Fe92  1  0.047715  0.609839  0.430178  1
  Fe  Fe93  1  0.354319  0.050226  0.455806  1
  Fe  Fe94  1  0.714382  0.609839  0.430178  1
  Fe  Fe95  1  0.020986  0.050226  0.455806  1
  Fe  Fe96  1  0.687652  0.050226  0.455806  1
  Fe  Fe97  1  0.133019  0.471031  0.507759  1
  Fe  Fe98  1  0.799686  0.471031  0.507759  1
  Fe  Fe99  1  0.157901  0.025908  0.484195  1
  Fe  Fe100  1  0.466352  0.471031  0.507759  1
  Fe  Fe101  1  0.824568  0.025908  0.484195  1
  Fe  Fe102  1  0.491234  0.025908  0.484195  1
  Fe  Fe103  1  0.455212  0.668646  0.512369  1
  Fe  Fe104  1  0.121879  0.668646  0.512369  1
  Fe  Fe105  1  0.480094  0.223523  0.488805  1
  Fe  Fe106  1  0.788545  0.668646  0.512369  1
  Fe  Fe107  1  0.146761  0.223523  0.488805  1
  Fe  Fe108  1  0.813427  0.223523  0.488805  1
  Fe  Fe109  1  0.307167  0.750928  0.494857  1
  Fe  Fe110  1  0.973834  0.750928  0.494857  1
  Fe  Fe111  1  0.281351  0.195875  0.518780  1
  Fe  Fe112  1  0.640500  0.750928  0.494857  1
  Fe  Fe113  1  0.948017  0.195875  0.518780  1
  Fe  Fe114  1  0.614684  0.195875  0.518780  1
  Fe  Fe115  1  0.331763  0.498679  0.477784  1
  Fe  Fe116  1  0.998429  0.498679  0.477784  1
  Fe  Fe117  1  0.305946  0.943626  0.501707  1
  Fe  Fe118  1  0.665096  0.498679  0.477784  1
  Fe  Fe119  1  0.972613  0.943626  0.501707  1
  Fe  Fe120  1  0.639279  0.943626  0.501707  1
  Fe  Fe121  1  0.081991  0.361777  0.555208  1
  Fe  Fe122  1  0.748658  0.361777  0.555208  1
  Fe  Fe123  1  0.108155  0.916411  0.531518  1
  Fe  Fe124  1  0.415324  0.361777  0.555208  1
  Fe  Fe125  1  0.774822  0.916411  0.531518  1
  Fe  Fe126  1  0.441489  0.916411  0.531518  1
  Fe  Fe127  1  0.404231  0.556783  0.560970  1
  Fe  Fe128  1  0.070897  0.556783  0.560970  1
  Fe  Fe129  1  0.429676  0.112747  0.536629  1
  Fe  Fe130  1  0.737564  0.556783  0.560970  1
  Fe  Fe131  1  0.096342  0.112747  0.536629  1
  Fe  Fe132  1  0.763009  0.112747  0.536629  1
  Fe  Fe133  1  0.258794  0.644328  0.540758  1
  Fe  Fe134  1  0.925461  0.644328  0.540758  1
  Fe  Fe135  1  0.232065  0.084715  0.566385  1
  Fe  Fe136  1  0.592127  0.644328  0.540758  1
  Fe  Fe137  1  0.898731  0.084715  0.566385  1
  Fe  Fe138  1  0.565398  0.084715  0.566385  1
  Fe  Fe139  1  0.280413  0.388951  0.525437  1
  Fe  Fe140  1  0.947079  0.388951  0.525437  1
  Fe  Fe141  1  0.256250  0.832995  0.549407  1
  Fe  Fe142  1  0.613746  0.388951  0.525437  1
  Fe  Fe143  1  0.922917  0.832995  0.549407  1
  Fe  Fe144  1  0.589583  0.832995  0.549407  1
  Fe  Fe145  1  0.031681  0.252343  0.601316  1
  Fe  Fe146  1  0.698348  0.252343  0.601316  1
  Fe  Fe147  1  0.058358  0.808292  0.578271  1
  Fe  Fe148  1  0.365015  0.252343  0.601316  1
  Fe  Fe149  1  0.725025  0.808292  0.578271  1
  Fe  Fe150  1  0.391691  0.808292  0.578271  1
  Fe  Fe151  1  0.354134  0.450222  0.605726  1
  Fe  Fe152  1  0.020801  0.450222  0.605726  1
  Fe  Fe153  1  0.380518  0.005833  0.583274  1
  Fe  Fe154  1  0.687467  0.450222  0.605726  1
  Fe  Fe155  1  0.047184  0.005833  0.583274  1
  Fe  Fe156  1  0.713851  0.005833  0.583274  1
  Fe  Fe157  1  0.202600  0.523710  0.593341  1
  Fe  Fe158  1  0.869267  0.523710  0.593341  1
  Fe  Fe159  1  0.179958  0.969237  0.614614  1
  Fe  Fe160  1  0.535933  0.523710  0.593341  1
  Fe  Fe161  1  0.846625  0.969237  0.614614  1
  Fe  Fe162  1  0.513291  0.969237  0.614614  1
  Fe  Fe163  1  0.230029  0.277356  0.573373  1
  Fe  Fe164  1  0.896696  0.277356  0.573373  1
  Fe  Fe165  1  0.205476  0.724011  0.594324  1
  Fe  Fe166  1  0.563362  0.277356  0.573373  1
  Fe  Fe167  1  0.872142  0.724011  0.594324  1
  Fe  Fe168  1  0.538809  0.724011  0.594324  1
  Fe  Fe169  1  0.977639  0.128727  0.653324  1
  Fe  Fe170  1  0.644305  0.128727  0.653324  1
  Fe  Fe171  1  0.002628  0.688265  0.629747  1
  Fe  Fe172  1  0.310972  0.128727  0.653324  1
  Fe  Fe173  1  0.669295  0.688265  0.629747  1
  Fe  Fe174  1  0.335961  0.688265  0.629747  1
  Fe  Fe175  1  0.298632  0.323669  0.659527  1
  Fe  Fe176  1  0.965299  0.323669  0.659527  1
  Fe  Fe177  1  0.327253  0.878826  0.635570  1
  Fe  Fe178  1  0.631965  0.323669  0.659527  1
  Fe  Fe179  1  0.993920  0.878826  0.635570  1
  Fe  Fe180  1  0.660586  0.878826  0.635570  1
  Fe  Fe181  1  0.153552  0.417490  0.638704  1
  Fe  Fe182  1  0.820219  0.417490  0.638704  1
  Fe  Fe183  1  0.130548  0.853883  0.661443  1
  Fe  Fe184  1  0.486885  0.417490  0.638704  1
  Fe  Fe185  1  0.797214  0.853883  0.661443  1
  Fe  Fe186  1  0.463881  0.853883  0.661443  1
  Fe  Fe187  1  0.177534  0.163072  0.620570  1
  Fe  Fe188  1  0.844200  0.163072  0.620570  1
  Fe  Fe189  1  0.144998  0.607812  0.650734  1
  Fe  Fe190  1  0.510867  0.163072  0.620570  1
  Fe  Fe191  1  0.811665  0.607812  0.650734  1
  Fe  Fe192  1  0.478331  0.607812  0.650734  1
  Fe  Fe193  1  0.922494  0.030368  0.693749  1
  Fe  Fe194  1  0.589161  0.030368  0.693749  1
  Fe  Fe195  1  0.952315  0.574477  0.669718  1
  Fe  Fe196  1  0.255827  0.030368  0.693749  1
  Fe  Fe197  1  0.618982  0.574477  0.669718  1
  Fe  Fe198  1  0.285648  0.574477  0.669718  1
  Fe  Fe199  1  0.249439  0.219594  0.699595  1
  Fe  Fe200  1  0.916106  0.219594  0.699595  1
  Fe  Fe201  1  0.276273  0.781956  0.677757  1
  Fe  Fe202  1  0.582773  0.219594  0.699595  1
  Fe  Fe203  1  0.942940  0.781956  0.677757  1
  Fe  Fe204  1  0.609606  0.781956  0.677757  1
  Fe  Fe205  1  0.103847  0.301960  0.683347  1
  Fe  Fe206  1  0.770514  0.301960  0.683347  1
  Fe  Fe207  1  0.082105  0.737181  0.700894  1
  Fe  Fe208  1  0.437181  0.301960  0.683347  1
  Fe  Fe209  1  0.748772  0.737181  0.700894  1
  Fe  Fe210  1  0.415439  0.737181  0.700894  1
  Fe  Fe211  1  0.126514  0.054791  0.668455  1
  Fe  Fe212  1  0.793181  0.054791  0.668455  1
  Fe  Fe213  1  0.095207  0.485277  0.689761  1
  Fe  Fe214  1  0.459848  0.054791  0.668455  1
  Fe  Fe215  1  0.761873  0.485277  0.689761  1
  Fe  Fe216  1  0.428540  0.485277  0.689761  1
  P  P217  1  0.406207  0.218817  0.318881  1
  P  P218  1  0.072874  0.218817  0.318881  1
  P  P219  1  0.433228  0.772625  0.297881  1
  P  P220  1  0.739541  0.218817  0.318881  1
  P  P221  1  0.099895  0.772625  0.297881  1
  P  P222  1  0.766561  0.772625  0.297881  1
  P  P223  1  0.594706  0.816822  0.309390  1
  P  P224  1  0.261373  0.816822  0.309390  1
  P  P225  1  0.619098  0.383435  0.286153  1
  P  P226  1  0.928039  0.816822  0.309390  1
  P  P227  1  0.285765  0.383435  0.286153  1
  P  P228  1  0.952431  0.383435  0.286153  1
  P  P229  1  0.420159  0.996162  0.309130  1
  P  P230  1  0.086825  0.996162  0.309130  1
  P  P231  1  0.453581  0.540381  0.286880  1
  P  P232  1  0.753492  0.996162  0.309130  1
  P  P233  1  0.120248  0.540381  0.286880  1
  P  P234  1  0.786915  0.540381  0.286880  1
  P  P235  1  0.575591  0.053154  0.319035  1
  P  P236  1  0.242258  0.053154  0.319035  1
  P  P237  1  0.595082  0.607480  0.295430  1
  P  P238  1  0.908924  0.053154  0.319035  1
  P  P239  1  0.261749  0.607480  0.295430  1
  P  P240  1  0.928416  0.607480  0.295430  1
  P  P241  1  0.358567  0.100016  0.372370  1
  P  P242  1  0.025233  0.100016  0.372370  1
  P  P243  1  0.379103  0.662445  0.349134  1
  P  P244  1  0.691900  0.100016  0.372370  1
  P  P245  1  0.045770  0.662445  0.349134  1
  P  P246  1  0.712437  0.662445  0.349134  1
  P  P247  1  0.543890  0.709238  0.360578  1
  P  P248  1  0.210557  0.709238  0.360578  1
  P  P249  1  0.574235  0.267250  0.339082  1
  P  P250  1  0.877224  0.709238  0.360578  1
  P  P251  1  0.240902  0.267250  0.339082  1
  P  P252  1  0.907569  0.267250  0.339082  1
  P  P253  1  0.377162  0.879281  0.362297  1
  P  P254  1  0.043829  0.879281  0.362297  1
  P  P255  1  0.403840  0.434253  0.339918  1
  P  P256  1  0.710496  0.879281  0.362297  1
  P  P257  1  0.070507  0.434253  0.339918  1
  P  P258  1  0.737173  0.434253  0.339918  1
  P  P259  1  0.519430  0.936021  0.371334  1
  P  P260  1  0.186096  0.936021  0.371334  1
  P  P261  1  0.547113  0.491911  0.347938  1
  P  P262  1  0.852763  0.936021  0.371334  1
  P  P263  1  0.213779  0.491911  0.347938  1
  P  P264  1  0.880446  0.491911  0.347938  1
  P  P265  1  0.298287  0.990645  0.419716  1
  P  P266  1  0.964954  0.990645  0.419716  1
  P  P267  1  0.325187  0.546874  0.395828  1
  P  P268  1  0.631620  0.990645  0.419716  1
  P  P269  1  0.991854  0.546874  0.395828  1
  P  P270  1  0.658520  0.546874  0.395828  1
  P  P271  1  0.490094  0.593868  0.409116  1
  P  P272  1  0.156761  0.593868  0.409116  1
  P  P273  1  0.518661  0.147436  0.383941  1
  P  P274  1  0.823427  0.593868  0.409116  1
  P  P275  1  0.185327  0.147436  0.383941  1
  P  P276  1  0.851994  0.147436  0.383941  1
  P  P277  1  0.320967  0.765620  0.409021  1
  P  P278  1  0.987634  0.765620  0.409021  1
  P  P279  1  0.348419  0.320342  0.384485  1
  P  P280  1  0.654300  0.765620  0.409021  1
  P  P281  1  0.015086  0.320342  0.384485  1
  P  P282  1  0.681752  0.320342  0.384485  1
  P  P283  1  0.467638  0.818031  0.419271  1
  P  P284  1  0.134305  0.818031  0.419271  1
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