# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.95008420
_cell_length_b   42.05013972
_cell_length_c   50.44114044
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.56282923
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P504
_cell_volume   46515.2664661
_cell_formula_units_Z   504
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
  P  P1  1  0.501392  0.898602  0.291385  1
  P  P2  1  0.055949  0.880685  0.363302  1
  P  P3  1  0.646597  0.914411  0.294535  1
  P  P4  1  0.203895  0.892822  0.366631  1
  P  P5  1  0.844751  0.255677  0.414908  1
  P  P6  1  0.272210  0.273020  0.344696  1
  P  P7  1  0.462308  0.461071  0.290580  1
  P  P8  1  0.034093  0.444409  0.360516  1
  P  P9  1  0.746807  0.451084  0.326293  1
  P  P10  1  0.319816  0.436094  0.396350  1
  P  P11  1  0.416492  0.886020  0.345683  1
  P  P12  1  0.868393  0.901211  0.272963  1
  P  P13  1  0.512731  0.512471  0.334222  1
  P  P14  1  0.085711  0.495125  0.404999  1
  P  P15  1  0.557985  0.263474  0.378928  1
  P  P16  1  0.985947  0.281568  0.310399  1
  P  P17  1  0.527909  0.586074  0.319010  1
  P  P18  1  0.046295  0.519645  0.344157  1
  P  P19  1  0.617735  0.532934  0.291743  1
  P  P20  1  0.190044  0.513405  0.360641  1
  P  P21  1  0.424857  0.455220  0.352566  1
  P  P22  1  0.851621  0.472478  0.283401  1
  P  P23  1  0.406834  0.018305  0.284040  1
  P  P24  1  0.942920  1.004596  0.354415  1
  P  P25  1  0.670056  0.776836  0.354149  1
  P  P26  1  0.117275  0.798215  0.283743  1
  P  P27  1  0.291215  0.064188  0.297807  1
  P  P28  1  0.845115  0.058055  0.377327  1
  P  P29  1  0.396435  0.785287  0.321189  1
  P  P30  1  0.959792  0.764404  0.393317  1
  P  P31  1  0.670686  0.581864  0.335429  1
  P  P32  1  0.107071  0.568602  0.387683  1
  P  P33  1  0.709517  0.446465  0.389228  1
  P  P34  1  0.138610  0.462716  0.316682  1
  P  P35  1  0.363543  0.327509  0.325117  1
  P  P36  1  0.932658  0.311979  0.396657  1
  P  P37  1  0.283886  0.907505  0.311005  1
  P  P38  1  0.844196  0.887810  0.385445  1
  P  P39  1  0.768159  0.954962  0.293942  1
  P  P40  1  0.318860  0.941154  0.368732  1
  P  P41  1  0.659324  0.845583  0.324260  1
  P  P42  1  0.220354  0.824200  0.398593  1
  P  P43  1  0.778736  0.889831  0.327428  1
  P  P44  1  0.333963  0.873263  0.400341  1
  P  P45  1  0.608567  0.341676  0.301131  1
  P  P46  1  0.180133  0.326879  0.370927  1
  P  P47  1  0.653716  0.508142  0.352943  1
  P  P48  1  0.090004  0.521269  0.279837  1
  P  P49  1  0.699384  0.258827  0.399726  1
  P  P50  1  0.128399  0.277035  0.327648  1
  P  P51  1  0.752502  0.339941  0.317757  1
  P  P52  1  0.324326  0.322647  0.388248  1
  P  P53  1  0.489504  0.056032  0.398572  1
  P  P54  1  0.929769  0.071598  0.324698  1
  P  P55  1  0.415414  0.267956  0.362007  1
  P  P56  1  0.932180  0.340887  0.275436  1
  P  P57  1  0.543459  0.966839  0.316525  1
  P  P58  1  0.107823  0.947484  0.390842  1
  P  P59  1  0.547467  0.040354  0.292772  1
  P  P60  1  0.091441  0.014667  0.359764  1
  P  P61  1  0.319539  0.464031  0.273734  1
  P  P62  1  0.889855  0.448403  0.343463  1
  P  P63  1  0.694349  0.399859  0.283382  1
  P  P64  1  0.269965  0.383482  0.351866  1
  P  P65  1  0.688346  0.074947  0.303403  1
  P  P66  1  0.208097  0.062663  0.357422  1
  P  P67  1  0.746195  0.860486  0.271868  1
  P  P68  1  0.301876  0.839242  0.344248  1
  P  P69  1  0.370466  0.516873  0.316388  1
  P  P70  1  0.941930  0.499404  0.387904  1
  P  P71  1  0.475546  0.507389  0.396998  1
  P  P72  1  0.900674  0.523714  0.328907  1
  P  P73  1  0.648872  0.319228  0.361544  1
  P  P74  1  0.075624  0.337204  0.291131  1
  P  P75  1  0.282637  0.458582  0.335006  1
  P  P76  1  0.853079  0.442648  0.406778  1
  P  P77  1  0.276390  0.980760  0.282610  1
  P  P78  1  0.826436  0.957923  0.353684  1
  P  P79  1  0.790352  0.821131  0.358057  1
  P  P80  1  0.239527  0.838439  0.287367  1
  P  P81  1  0.554761  0.376277  0.388193  1
  P  P82  1  0.983412  0.394114  0.315915  1
  P  P83  1  0.563555  0.898379  0.349122  1
  P  P84  1  1.011917  0.917880  0.276407  1
  P  P85  1  0.471593  0.275242  0.303302  1
  P  P86  1  0.022704  0.258074  0.370034  1
  P  P87  1  0.789512  0.315151  0.379122  1
  P  P88  1  0.219308  0.332423  0.308337  1
  P  P89  1  0.597691  0.931311  0.405452  1
  P  P90  1  0.043881  0.948552  0.332205  1
  P  P91  1  0.457362  0.023103  0.342945  1
  P  P92  1  0.900356  0.037956  0.270243  1
  P  P93  1  0.695172  0.875889  0.381878  1
  P  P94  1  0.138830  0.892596  0.307916  1
  P  P95  1  0.658854  0.394183  0.344803  1
  P  P96  1  0.232114  0.378056  0.414945  1
  P  P97  1  0.588707  0.066240  0.348445  1
  P  P98  1  0.017778  0.082671  0.273798  1
  P  P99  1  0.400359  0.952280  0.313841  1
  P  P100  1  0.958672  0.937567  0.386610  1
  P  P101  1  0.579375  0.829096  0.380160  1
  P  P102  1  0.019209  0.849123  0.306657  1
  P  P103  1  0.467512  0.347997  0.283545  1
  P  P104  1  0.037042  0.332558  0.353079  1
  P  P105  1  0.753015  0.792080  0.301461  1
  P  P106  1  0.314572  0.770809  0.374227  1
  P  P107  1  0.564137  0.564049  0.378557  1
  P  P108  1  0.989593  0.570348  0.300010  1
  P  P109  1  0.230701  0.407159  0.291450  1
  P  P110  1  0.802025  0.390559  0.362324  1
  P  P111  1  0.523338  0.763827  0.354242  1
  P  P112  1  0.974586  0.783988  0.280621  1
  P  P113  1  0.384602  0.853150  0.290253  1
  P  P114  1  0.940539  0.832460  0.361875  1
  P  P115  1  0.583224  0.998653  0.374015  1
  P  P116  1  0.026066  0.014705  0.300246  1
  P  P117  1  0.710726  0.806981  0.412178  1
  P  P118  1  0.154023  0.825751  0.340444  1
  P  P119  1  0.310112  0.009057  0.338392  1
  P  P120  1  0.860358  0.992231  0.409388  1
  P  P121  1  0.727267  0.013860  0.376345  1
  P  P122  1  0.167747  0.029331  0.303797  1
  P  P123  1  0.229311  0.519821  0.298636  1
  P  P124  1  0.796848  0.503657  0.370898  1
  P  P125  1  0.707409  0.559565  0.396455  1
  P  P126  1  0.132821  0.573531  0.323327  1
  P  P127  1  0.374361  0.402954  0.308170  1
  P  P128  1  0.945436  0.387618  0.379702  1
  P  P129  1  0.466408  0.952772  0.372521  1
  P  P130  1  0.910362  0.969329  0.299366  1
  P  P131  1  0.632107  0.064376  0.409082  1
  P  P132  1  0.073811  0.081719  0.332119  1
  P  P133  1  0.595738  0.760176  0.410266  1
  P  P134  1  0.037050  0.780563  0.337584  1
  P  P135  1  0.512668  0.830738  0.322386  1
  P  P136  1  0.072139  0.812349  0.394734  1
  P  P137  1  0.483329  0.883261  0.404086  1
  P  P138  1  0.925620  0.902230  0.331447  1
  P  P139  1  0.697870  0.371247  0.405925  1
  P  P140  1  0.126710  0.388257  0.334235  1
  P  P141  1  0.429910  0.817782  0.377244  1
  P  P142  1  0.872826  0.833987  0.304281  1
  P  P143  1  0.332955  0.511039  0.379092  1
  P  P144  1  0.758789  0.524616  0.310355  1
  P  P145  1  0.747779  0.943006  0.408671  1
  P  P146  1  0.191764  0.962040  0.336110  1
  P  P147  1  0.666717  1.005289  0.317214  1
  P  P148  1  0.222872  0.997873  0.391958  1
  P  P149  1  0.466935  0.317545  0.406831  1
  P  P150  1  0.894628  0.336003  0.336244  1
  P  P151  1  0.606108  0.457483  0.307710  1
  P  P152  1  0.177451  0.439363  0.378428  1
  P  P153  1  0.412314  0.380376  0.369617  1
  P  P154  1  0.839753  0.396926  0.299107  1
  P  P155  1  0.372649  0.008441  0.396592  1
  P  P156  1  0.809983  0.025498  0.320884  1
  P  P157  1  0.518459  0.399957  0.325374  1
  P  P158  1  0.088587  0.382932  0.397514  1
  P  P159  1  0.680706  0.943409  0.351191  1
  P  P160  1  0.131661  0.961285  0.278313  1
  P  P161  1  0.505807  0.325999  0.345011  1
  P  P162  1  0.076388  0.306905  0.414057  1
  P  P163  1  0.420340  0.567498  0.359938  1
  P  P164  1  0.862479  0.549375  0.271235  1
  P  P165  1  0.274819  0.570230  0.343532  1
  P  P166  1  0.722178  0.582939  0.274621  1
  P  P167  1  0.567152  0.450971  0.370732  1
  P  P168  1  0.992732  0.471110  0.300392  1
  P  P169  1  0.613851  0.862798  0.436267  1
  P  P170  1  0.171676  0.847878  0.507689  1
  P  P171  1  0.763586  0.873177  0.439622  1
  P  P172  1  0.322046  0.856254  0.511596  1
  P  P173  1  0.988297  0.222308  0.557109  1
  P  P174  1  0.417893  0.238519  0.484681  1
  P  P175  1  0.605096  0.427719  0.432395  1
  P  P176  1  0.178522  0.410812  0.502292  1
  P  P177  1  0.891825  0.419225  0.467491  1
  P  P178  1  0.463346  0.402277  0.538374  1
  P  P179  1  0.532750  0.850445  0.489914  1
  P  P180  1  0.973863  0.868572  0.417465  1
  P  P181  1  0.656565  0.478645  0.476700  1
  P  P182  1  0.229657  0.461763  0.547021  1
  P  P183  1  0.701464  0.229373  0.522406  1
  P  P184  1  0.129523  0.246390  0.451286  1
  P  P185  1  0.617924  0.503240  0.415714  1
  P  P186  1  0.190932  0.486931  0.486172  1
  P  P187  1  0.761643  0.498366  0.433400  1
  P  P188  1  0.334770  0.480851  0.503060  1
  P  P189  1  0.568460  0.421796  0.495317  1
  P  P190  1  0.996721  0.438675  0.424186  1
  P  P191  1  0.501613  0.988613  0.428380  1
  P  P192  1  0.058535  0.971946  0.500375  1
  P  P193  1  0.793045  0.737092  0.501651  1
  P  P194  1  0.231747  0.755903  0.428255  1
  P  P195  1  0.404233  0.043112  0.451861  1
  P  P196  1  0.960826  0.025185  0.523537  1
  P  P197  1  0.519214  0.745319  0.465974  1
  P  P198  1  0.072909  0.729952  0.538310  1
  P  P199  1  0.671738  0.552682  0.459442  1
  P  P200  1  0.250869  0.535238  0.530954  1
  P  P201  1  0.854736  0.413281  0.530185  1
  P  P202  1  0.283095  0.430369  0.458950  1
  P  P203  1  0.503882  0.295421  0.467921  1
  P  P204  1  0.077009  0.277905  0.537581  1
  P  P205  1  0.403263  0.869142  0.457926  1
  P  P206  1  0.961604  0.852050  0.529808  1
  P  P207  1  0.877047  0.924222  0.441174  1
  P  P208  1  0.435388  0.907130  0.513055  1
  P  P209  1  0.780116  0.804326  0.470606  1
  P  P210  1  0.337038  0.787659  0.542601  1
  P  P211  1  0.892770  0.854826  0.471912  1
  P  P212  1  0.451514  0.837235  0.543795  1
  P  P213  1  0.752350  0.309470  0.442072  1
  P  P214  1  0.325365  0.292123  0.512267  1
  P  P215  1  0.800054  0.475218  0.493989  1
  P  P216  1  0.227933  0.492541  0.422648  1
  P  P217  1  0.842919  0.225338  0.541977  1
  P  P218  1  0.272642  0.241961  0.469231  1
  P  P219  1  0.895286  0.305301  0.459544  1
  P  P220  1  0.467736  0.287919  0.530486  1
  P  P221  1  0.606904  0.020369  0.542726  1
  P  P222  1  0.045606  0.039180  0.469330  1
  P  P223  1  0.558982  0.233726  0.503467  1
  P  P224  1  0.986839  0.250970  0.432702  1
  P  P225  1  0.666975  0.928393  0.463292  1
  P  P226  1  0.224800  0.913474  0.534714  1
  P  P227  1  0.651385  0.996008  0.432688  1
  P  P228  1  0.207478  0.982329  0.504153  1
  P  P229  1  0.462322  0.432395  0.414249  1
  P  P230  1  0.035196  0.415189  0.484823  1
  P  P231  1  0.840756  0.367063  0.423318  1
  P  P232  1  0.412364  0.350246  0.493976  1
  P  P233  1  0.765742  0.046320  0.432671  1
  P  P234  1  0.319437  0.030953  0.505007  1
  P  P235  1  0.860183  0.818247  0.415973  1
  P  P236  1  0.419322  0.800069  0.488475  1
  P  P237  1  0.513287  0.484149  0.458714  1
  P  P238  1  0.086302  0.466802  0.528909  1
  P  P239  1  0.619311  0.474097  0.539544  1
  P  P240  1  0.047901  0.491046  0.467901  1
  P  P241  1  0.790752  0.285226  0.503080  1
  P  P242  1  0.219341  0.302175  0.431438  1
  P  P243  1  0.426288  0.426026  0.477005  1
  P  P244  1  0.997896  0.409209  0.547663  1
  P  P245  1  0.387137  0.939037  0.427186  1
  P  P246  1  0.945881  0.921446  0.499069  1
  P  P247  1  0.909190  0.785253  0.503332  1
  P  P248  1  0.348933  0.803523  0.430685  1
  P  P249  1  0.698210  0.341560  0.529288  1
  P  P250  1  0.127086  0.358784  0.458033  1
  P  P251  1  0.683111  0.859660  0.494198  1
  P  P252  1  0.123249  0.878857  0.421681  1
  P  P253  1  0.587783  0.241034  0.440027  1
  P  P254  1  0.166915  0.223590  0.511539  1
  P  P255  1  0.933286  0.281177  0.520287  1
  P  P256  1  0.361117  0.298361  0.449339  1
  P  P257  1  0.715402  0.897415  0.549300  1
  P  P258  1  0.155540  0.916612  0.476783  1
  P  P259  1  0.569322  0.985603  0.486710  1
  P  P260  1  1.009173  1.004204  0.413607  1
  P  P261  1  0.812796  0.841176  0.526183  1
  P  P262  1  0.253071  0.860179  0.454030  1
  P  P263  1  0.803456  0.361083  0.486158  1
  P  P264  1  0.376331  0.343877  0.556732  1
  P  P265  1  0.681863  0.034868  0.486308  1
  P  P266  1  0.124724  0.052602  0.413290  1
  P  P267  1  0.516605  0.920018  0.459385  1
  P  P268  1  0.075066  0.903095  0.531359  1
  P  P269  1  0.699304  0.791285  0.525610  1
  P  P270  1  0.139674  0.810030  0.453152  1
  P  P271  1  0.608995  0.314509  0.423960  1
  P  P272  1  0.182087  0.297627  0.494281  1
  P  P273  1  0.877825  0.751087  0.447444  1
  P  P274  1  0.434418  0.733160  0.519120  1
  P  P275  1  0.709129  0.529882  0.519696  1
  P  P276  1  0.137188  0.546899  0.448575  1
  P  P277  1  0.375306  0.373995  0.432607  1
  P  P278  1  0.946827  0.357046  0.503490  1
  P  P279  1  0.645417  0.727169  0.500035  1
  P  P280  1  0.084218  0.745456  0.428202  1
  P  P281  1  0.500052  0.813168  0.434598  1
  P  P282  1  0.058102  0.796618  0.506309  1
  P  P283  1  0.698977  0.966242  0.517830  1
  P  P284  1  0.139347  0.984987  0.445372  1
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  P  P504  1  0.283891  0.399995  0.582788  1
