# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.05070996
_cell_length_b   18.56659511
_cell_length_c   52.68678237
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.45008793
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe180 P180'
_cell_volume   10663.2589901
_cell_formula_units_Z   180
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  0.041899  0.499856  0.331377  1
  Fe  Fe2  1  0.708566  0.166523  0.331377  1
  Fe  Fe3  1  0.509979  0.546706  0.276497  1
  Fe  Fe4  1  0.278682  0.524380  0.304176  1
  Fe  Fe5  1  0.375232  0.833190  0.331377  1
  Fe  Fe6  1  0.176646  0.213372  0.276497  1
  Fe  Fe7  1  0.945349  0.191046  0.304176  1
  Fe  Fe8  1  0.843312  0.880039  0.276497  1
  Fe  Fe9  1  0.612015  0.857713  0.304176  1
  Fe  Fe10  1  0.188340  0.639663  0.328229  1
  Fe  Fe11  1  0.855007  0.306330  0.328229  1
  Fe  Fe12  1  0.939541  0.616313  0.359445  1
  Fe  Fe13  1  0.423701  0.661553  0.300717  1
  Fe  Fe14  1  0.521674  0.972996  0.328229  1
  Fe  Fe15  1  0.606208  0.282979  0.359445  1
  Fe  Fe16  1  0.090368  0.328219  0.300717  1
  Fe  Fe17  1  0.272875  0.949646  0.359445  1
  Fe  Fe18  1  0.757034  0.994886  0.300717  1
  Fe  Fe19  1  0.061663  0.708459  0.289891  1
  Fe  Fe20  1  0.728330  0.375126  0.289891  1
  Fe  Fe21  1  0.820717  0.681614  0.317173  1
  Fe  Fe22  1  0.572716  0.656762  0.347059  1
  Fe  Fe23  1  0.394996  0.041793  0.289891  1
  Fe  Fe24  1  0.487383  0.348281  0.317173  1
  Fe  Fe25  1  0.239383  0.323429  0.347059  1
  Fe  Fe26  1  0.154050  0.014948  0.317173  1
  Fe  Fe27  1  0.906049  0.990095  0.347059  1
  Fe  Fe28  1  0.887375  0.508029  0.288619  1
  Fe  Fe29  1  0.554041  0.174696  0.288619  1
  Fe  Fe30  1  0.648554  0.486299  0.315456  1
  Fe  Fe31  1  0.400162  0.459341  0.346063  1
  Fe  Fe32  1  0.220708  0.841363  0.288619  1
  Fe  Fe33  1  0.315220  0.152965  0.315456  1
  Fe  Fe34  1  0.066828  0.126008  0.346063  1
  Fe  Fe35  1  0.981887  0.819632  0.315456  1
  Fe  Fe36  1  0.733495  0.792675  0.346063  1
  Fe  Fe37  1  0.288557  0.426488  0.424414  1
  Fe  Fe38  1  0.955223  0.093154  0.424414  1
  Fe  Fe39  1  0.779085  0.474883  0.364728  1
  Fe  Fe40  1  0.536832  0.450985  0.394404  1
  Fe  Fe41  1  0.621890  0.759821  0.424414  1
  Fe  Fe42  1  0.445752  0.141549  0.364728  1
  Fe  Fe43  1  0.203499  0.117652  0.394404  1
  Fe  Fe44  1  0.112418  0.808216  0.364728  1
  Fe  Fe45  1  0.870166  0.784318  0.394404  1
  Fe  Fe46  1  0.442193  0.568838  0.420321  1
  Fe  Fe47  1  0.108860  0.235504  0.420321  1
  Fe  Fe48  1  0.195356  0.544582  0.450400  1
  Fe  Fe49  1  0.691321  0.593122  0.389779  1
  Fe  Fe50  1  0.775527  0.902171  0.420321  1
  Fe  Fe51  1  0.862022  0.211249  0.450400  1
  Fe  Fe52  1  0.357988  0.259789  0.389779  1
  Fe  Fe53  1  0.528689  0.877915  0.450400  1
  Fe  Fe54  1  0.024655  0.926455  0.389779  1
  Fe  Fe55  1  0.322379  0.631342  0.377220  1
  Fe  Fe56  1  0.989046  0.298009  0.377220  1
  Fe  Fe57  1  0.073803  0.606373  0.407500  1
  Fe  Fe58  1  0.826284  0.582616  0.437894  1
  Fe  Fe59  1  0.655713  0.964676  0.377220  1
  Fe  Fe60  1  0.740470  0.273040  0.407500  1
  Fe  Fe61  1  0.492951  0.249283  0.437894  1
  Fe  Fe62  1  0.407136  0.939707  0.407500  1
  Fe  Fe63  1  0.159617  0.915949  0.437894  1
  Fe  Fe64  1  0.154555  0.436912  0.375927  1
  Fe  Fe65  1  0.821222  0.103578  0.375927  1
  Fe  Fe66  1  0.905459  0.412698  0.406635  1
  Fe  Fe67  1  0.657678  0.388462  0.437113  1
  Fe  Fe68  1  0.487888  0.770245  0.375927  1
  Fe  Fe69  1  0.572126  0.079364  0.406635  1
  Fe  Fe70  1  0.324344  0.055128  0.437113  1
  Fe  Fe71  1  0.238793  0.746031  0.406635  1
  Fe  Fe72  1  0.991011  0.721795  0.437113  1
  Fe  Fe73  1  0.545033  0.354249  0.515336  1
  Fe  Fe74  1  0.211699  0.020915  0.515336  1
  Fe  Fe75  1  0.040777  0.402467  0.454680  1
  Fe  Fe76  1  0.793309  0.378365  0.484955  1
  Fe  Fe77  1  0.878366  0.687582  0.515336  1
  Fe  Fe78  1  0.707443  0.069134  0.454680  1
  Fe  Fe79  1  0.459975  0.045032  0.484955  1
  Fe  Fe80  1  0.374110  0.735801  0.454680  1
  Fe  Fe81  1  0.126642  0.711699  0.484955  1
  Fe  Fe82  1  0.699475  0.496383  0.511010  1
  Fe  Fe83  1  0.366141  0.163049  0.511010  1
  Fe  Fe84  1  0.452007  0.472281  0.541285  1
  Fe  Fe85  1  0.947751  0.520500  0.480630  1
  Fe  Fe86  1  0.032808  0.829716  0.511010  1
  Fe  Fe87  1  0.118673  0.138947  0.541285  1
  Fe  Fe88  1  0.614417  0.187166  0.480630  1
  Fe  Fe89  1  0.785340  0.805614  0.541285  1
  Fe  Fe90  1  0.281084  0.853833  0.480630  1
  Fe  Fe91  1  0.578396  0.558455  0.468166  1
  Fe  Fe92  1  0.245062  0.225122  0.468166  1
  Fe  Fe93  1  0.330801  0.534342  0.498360  1
  Fe  Fe94  1  0.082979  0.510280  0.528623  1
  Fe  Fe95  1  0.911729  0.891789  0.468166  1
  Fe  Fe96  1  0.997468  0.201008  0.498360  1
  Fe  Fe97  1  0.749646  0.176947  0.528623  1
  Fe  Fe98  1  0.664134  0.867675  0.498360  1
  Fe  Fe99  1  0.416312  0.843614  0.528623  1
  Fe  Fe100  1  0.409804  0.364468  0.467342  1
  Fe  Fe101  1  0.076471  0.031134  0.467342  1
  Fe  Fe102  1  0.161982  0.340406  0.497606  1
  Fe  Fe103  1  0.914388  0.316293  0.527799  1
  Fe  Fe104  1  0.743138  0.697801  0.467342  1
  Fe  Fe105  1  0.828649  0.007073  0.497606  1
  Fe  Fe106  1  0.581054  0.982959  0.527799  1
  Fe  Fe107  1  0.495316  0.673740  0.497606  1
  Fe  Fe108  1  0.247721  0.649626  0.527799  1
  Fe  Fe109  1  0.801462  0.281626  0.606186  1
  Fe  Fe110  1  0.468129  0.948293  0.606186  1
  Fe  Fe111  1  0.297428  0.330166  0.545565  1
  Fe  Fe112  1  0.050590  0.305911  0.575645  1
  Fe  Fe113  1  0.134795  0.614959  0.606186  1
  Fe  Fe114  1  0.964094  0.996833  0.545565  1
  Fe  Fe115  1  0.717257  0.972577  0.575645  1
  Fe  Fe116  1  0.630761  0.663500  0.545565  1
  Fe  Fe117  1  0.383923  0.639244  0.575645  1
  Fe  Fe118  1  0.955951  0.423763  0.601562  1
  Fe  Fe119  1  0.622618  0.090430  0.601562  1
  Fe  Fe120  1  0.713698  0.399866  0.631237  1
  Fe  Fe121  1  0.204227  0.448261  0.571551  1
  Fe  Fe122  1  0.289284  0.757096  0.601562  1
  Fe  Fe123  1  0.380365  0.066532  0.631237  1
  Fe  Fe124  1  0.870893  0.114927  0.571551  1
  Fe  Fe125  1  0.047032  0.733199  0.631237  1
  Fe  Fe126  1  0.537560  0.781594  0.571551  1
  Fe  Fe127  1  0.835106  0.486286  0.558852  1
  Fe  Fe128  1  0.501772  0.152953  0.558852  1
  Fe  Fe129  1  0.587324  0.462051  0.589331  1
  Fe  Fe130  1  0.338228  0.437837  0.620039  1
  Fe  Fe131  1  0.168439  0.819620  0.558852  1
  Fe  Fe132  1  0.253991  0.128717  0.589331  1
  Fe  Fe133  1  0.004895  0.104503  0.620039  1
  Fe  Fe134  1  0.920657  0.795384  0.589331  1
  Fe  Fe135  1  0.671562  0.771170  0.620039  1
  Fe  Fe136  1  0.666499  0.292132  0.558072  1
  Fe  Fe137  1  0.333166  0.958799  0.558072  1
  Fe  Fe138  1  0.418980  0.268375  0.588465  1
  Fe  Fe139  1  0.170404  0.243406  0.618745  1
  Fe  Fe140  1  0.999833  0.625466  0.558072  1
  Fe  Fe141  1  0.085647  0.935042  0.588465  1
  Fe  Fe142  1  0.837071  0.910072  0.618745  1
  Fe  Fe143  1  0.752314  0.601708  0.588465  1
  Fe  Fe144  1  0.503737  0.576739  0.618745  1
  Fe  Fe145  1  0.069082  0.213195  0.695248  1
  Fe  Fe146  1  0.735749  0.879862  0.695248  1
  Fe  Fe147  1  0.553242  0.258436  0.636520  1
  Fe  Fe148  1  0.304443  0.235085  0.667736  1
  Fe  Fe149  1  0.402416  0.546529  0.695248  1
  Fe  Fe150  1  0.219909  0.925102  0.636520  1
  Fe  Fe151  1  0.971110  0.901752  0.667736  1
  Fe  Fe152  1  0.886575  0.591769  0.636520  1
  Fe  Fe153  1  0.637777  0.568418  0.667736  1
  Fe  Fe154  1  0.214101  0.350368  0.691789  1
  Fe  Fe155  1  0.880768  0.017035  0.691789  1
  Fe  Fe156  1  0.982804  0.328042  0.719469  1
  Fe  Fe157  1  0.450885  0.374892  0.664588  1
  Fe  Fe158  1  0.547435  0.683702  0.691789  1
  Fe  Fe159  1  0.649471  0.994709  0.719469  1
  Fe  Fe160  1  0.117551  0.041559  0.664588  1
  Fe  Fe161  1  0.316138  0.661376  0.719469  1
  Fe  Fe162  1  0.784218  0.708225  0.664588  1
  Fe  Fe163  1  0.092622  0.415407  0.649903  1
  Fe  Fe164  1  0.759288  0.082074  0.649903  1
  Fe  Fe165  1  0.844230  0.388450  0.680510  1
  Fe  Fe166  1  0.605409  0.366719  0.707347  1
  Fe  Fe167  1  0.425955  0.748740  0.649903  1
  Fe  Fe168  1  0.510896  0.055116  0.680510  1
  Fe  Fe169  1  0.272075  0.033385  0.707347  1
  Fe  Fe170  1  0.177563  0.721783  0.680510  1
  Fe  Fe171  1  0.938742  0.700052  0.707347  1
  Fe  Fe172  1  0.920067  0.217986  0.648906  1
  Fe  Fe173  1  0.586734  0.884653  0.648906  1
  Fe  Fe174  1  0.672067  0.193134  0.678793  1
  Fe  Fe175  1  0.431120  0.166289  0.706075  1
  Fe  Fe176  1  0.253401  0.551320  0.648906  1
  Fe  Fe177  1  0.338733  0.859801  0.678793  1
  Fe  Fe178  1  0.097787  0.832955  0.706075  1
  Fe  Fe179  1  0.005400  0.526467  0.678793  1
  Fe  Fe180  1  0.764454  0.499622  0.706075  1
  P  P181  1  0.890102  0.754466  0.278213  1
  P  P182  1  0.556769  0.421132  0.278213  1
  P  P183  1  0.639598  0.726682  0.310059  1
  P  P184  1  0.392291  0.703113  0.342139  1
  P  P185  1  0.223436  0.087799  0.278213  1
  P  P186  1  0.306264  0.393349  0.310059  1
  P  P187  1  0.058958  0.369779  0.342139  1
  P  P188  1  0.972931  0.060016  0.310059  1
  P  P189  1  0.725624  0.036446  0.342139  1
  P  P190  1  0.081323  0.461030  0.286412  1
  P  P191  1  0.747989  0.127696  0.286412  1
  P  P192  1  0.832440  0.437279  0.321980  1
  P  P193  1  0.580225  0.414072  0.351091  1
  P  P194  1  0.414656  0.794363  0.286412  1
  P  P195  1  0.499107  0.103946  0.321980  1
  P  P196  1  0.246891  0.080739  0.351091  1
  P  P197  1  0.165774  0.770612  0.321980  1
  P  P198  1  0.913558  0.747405  0.351091  1
  P  P199  1  0.235045  0.532643  0.346272  1
  P  P200  1  0.901712  0.199310  0.346272  1
  P  P201  1  0.733642  0.584096  0.282703  1
  P  P202  1  0.485949  0.556669  0.317656  1
  P  P203  1  0.568378  0.865976  0.346272  1
  P  P204  1  0.400308  0.250763  0.282703  1
  P  P205  1  0.152615  0.223336  0.317656  1
  P  P206  1  0.066975  0.917429  0.282703  1
  P  P207  1  0.819282  0.890002  0.317656  1
  P  P208  1  0.985520  0.607436  0.315861  1
  P  P209  1  0.652187  0.274103  0.315861  1
  P  P210  1  0.739550  0.583472  0.346841  1
  P  P211  1  0.228136  0.633232  0.281844  1
  P  P212  1  0.318853  0.940769  0.315861  1
  P  P213  1  0.406217  0.250138  0.346841  1
  P  P214  1  0.894803  0.299898  0.281844  1
  P  P215  1  0.072884  0.916805  0.346841  1
  P  P216  1  0.561469  0.966565  0.281844  1
  P  P217  1  0.143357  0.676952  0.372774  1
  P  P218  1  0.810024  0.343618  0.372774  1
  P  P219  1  0.895146  0.653642  0.403288  1
  P  P220  1  0.647093  0.629700  0.433480  1
  P  P221  1  0.476691  0.010285  0.372774  1
  P  P222  1  0.561812  0.320308  0.403288  1
  P  P223  1  0.313760  0.296366  0.433480  1
  P  P224  1  0.228479  0.986975  0.403288  1
  P  P225  1  0.980426  0.963033  0.433480  1
  P  P226  1  0.333017  0.389700  0.380958  1
  P  P227  1  0.999684  0.056366  0.380958  1
  P  P228  1  0.084614  0.365944  0.411045  1
  P  P229  1  0.836792  0.341410  0.441401  1
  P  P230  1  0.666351  0.723033  0.380958  1
  P  P231  1  0.751280  0.032610  0.411045  1
  P  P232  1  0.503459  0.008077  0.441401  1
  P  P233  1  0.417947  0.699277  0.411045  1
  P  P234  1  0.170126  0.674744  0.441401  1
  P  P235  1  0.490089  0.460378  0.436845  1
  P  P236  1  0.156756  0.127045  0.436845  1
  P  P237  1  0.985620  0.508393  0.375682  1
  P  P238  1  0.738108  0.484515  0.406818  1
  P  P239  1  0.823423  0.793712  0.436845  1
  P  P240  1  0.652287  0.175060  0.375682  1
  P  P241  1  0.404774  0.151182  0.406818  1
  P  P242  1  0.318954  0.841727  0.375682  1
  P  P243  1  0.071441  0.817849  0.406818  1
  P  P244  1  0.241186  0.534713  0.407775  1
  P  P245  1  0.907852  0.201379  0.407775  1
  P  P246  1  0.993851  0.510721  0.437963  1
  P  P247  1  0.489964  0.559474  0.377955  1
  P  P248  1  0.574519  0.868046  0.407775  1
  P  P249  1  0.660518  0.177388  0.437963  1
  P  P250  1  0.156631  0.226141  0.377955  1
  P  P251  1  0.327184  0.844054  0.437963  1
  P  P252  1  0.823298  0.892808  0.377955  1
  P  P253  1  0.399323  0.605648  0.463695  1
  P  P254  1  0.065989  0.272315  0.463695  1
  P  P255  1  0.151667  0.581437  0.493942  1
  P  P256  1  0.903775  0.557398  0.524226  1
  P  P257  1  0.732656  0.938981  0.463695  1
  P  P258  1  0.818334  0.248104  0.493942  1
  P  P259  1  0.570442  0.224065  0.524226  1
  P  P260  1  0.485000  0.914770  0.493942  1
  P  P261  1  0.237108  0.890731  0.524226  1
  P  P262  1  0.589008  0.317350  0.471740  1
  P  P263  1  0.255675  0.984017  0.471740  1
  P  P264  1  0.341116  0.293311  0.502024  1
  P  P265  1  0.093461  0.269100  0.532270  1
  P  P266  1  0.922342  0.650684  0.471740  1
  P  P267  1  0.007783  0.959978  0.502024  1
  P  P268  1  0.760127  0.935767  0.532270  1
  P  P269  1  0.674450  0.626645  0.502024  1
  P  P270  1  0.426794  0.602434  0.532270  1
  P  P271  1  0.746631  0.388029  0.527518  1
  P  P272  1  0.413297  0.054696  0.527518  1
  P  P273  1  0.242231  0.436205  0.467047  1
  P  P274  1  0.994569  0.412199  0.497303  1
  P  P275  1  0.079964  0.721363  0.527518  1
  P  P276  1  0.908898  0.102872  0.467047  1
  P  P277  1  0.661235  0.078866  0.497303  1
  P  P278  1  0.575565  0.769538  0.467047  1
  P  P279  1  0.327902  0.745533  0.497303  1
  P  P280  1  0.498215  0.462549  0.498662  1
  P  P281  1  0.164882  0.129215  0.498662  1
  P  P282  1  0.250552  0.438543  0.528918  1
  P  P283  1  0.746153  0.486719  0.468448  1
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