# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.71435535
_cell_length_b   15.59580260
_cell_length_c   41.81091952
_cell_angle_alpha   90.00000000
_cell_angle_beta   96.34273726
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P335
_cell_volume   13424.6295258
_cell_formula_units_Z   335
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  0.277734  0.198661  0.967513  1
  P  P2  1  0.277734  0.698661  0.967513  1
  P  P3  1  0.777734  0.198661  0.967513  1
  P  P4  1  0.777734  0.698661  0.967513  1
  P  P5  1  0.129919  0.282686  0.975841  1
  P  P6  1  0.129919  0.782686  0.975841  1
  P  P7  1  0.629919  0.282686  0.975841  1
  P  P8  1  0.629919  0.782686  0.975841  1
  P  P9  1  0.017465  0.048843  0.354821  1
  P  P10  1  0.017497  0.548956  0.355338  1
  P  P11  1  0.517285  0.049155  0.355245  1
  P  P12  1  0.518119  0.549919  0.355482  1
  P  P13  1  0.270591  0.407725  0.528780  1
  P  P14  1  0.269015  0.909489  0.529023  1
  P  P15  1  0.772176  0.406262  0.528805  1
  P  P16  1  0.770538  0.907253  0.528519  1
  P  P17  1  0.021090  0.658497  0.529230  1
  P  P18  1  0.520988  0.158019  0.529371  1
  P  P19  1  0.520982  0.657842  0.529344  1
  P  P20  1  0.402854  0.322731  0.967351  1
  P  P21  1  0.402854  0.822731  0.967351  1
  P  P22  1  0.902854  0.322731  0.967351  1
  P  P23  1  0.902854  0.822731  0.967351  1
  P  P24  1  0.263518  0.042245  0.589384  1
  P  P25  1  0.264168  0.541524  0.589523  1
  P  P26  1  0.764225  0.041190  0.589327  1
  P  P27  1  0.764263  0.541044  0.589278  1
  P  P28  1  0.269399  0.302053  0.354779  1
  P  P29  1  0.268693  0.800500  0.354886  1
  P  P30  1  0.768626  0.300364  0.354658  1
  P  P31  1  0.768493  0.800402  0.354529  1
  P  P32  1  0.241408  0.330704  0.598517  1
  P  P33  1  0.242088  0.831442  0.599469  1
  P  P34  1  0.741824  0.331360  0.599184  1
  P  P35  1  0.741740  0.830552  0.598496  1
  P  P36  1  0.116549  0.456733  0.598924  1
  P  P37  1  0.116297  0.956549  0.598330  1
  P  P38  1  0.615928  0.456737  0.598756  1
  P  P39  1  0.616705  0.957240  0.599201  1
  P  P40  1  0.373860  0.073466  0.537819  1
  P  P41  1  0.373609  0.573568  0.537909  1
  P  P42  1  0.872526  0.072113  0.537187  1
  P  P43  1  0.873975  0.573438  0.537641  1
  P  P44  1  0.388602  0.058424  0.090608  1
  P  P45  1  0.388602  0.558424  0.090608  1
  P  P46  1  0.888602  0.058424  0.090608  1
  P  P47  1  0.888602  0.558424  0.090608  1
  P  P48  1  0.146283  0.043880  0.854800  1
  P  P49  1  0.146283  0.543880  0.854800  1
  P  P50  1  0.646283  0.043880  0.854800  1
  P  P51  1  0.646283  0.543880  0.854800  1
  P  P52  1  0.508096  0.049463  0.150010  1
  P  P53  1  0.508096  0.549463  0.150010  1
  P  P54  1  1.008096  0.049463  0.150010  1
  P  P55  1  1.008096  0.549463  0.150010  1
  P  P56  1  0.391903  0.300958  0.854500  1
  P  P57  1  0.391903  0.800958  0.854500  1
  P  P58  1  0.891903  0.300958  0.854500  1
  P  P59  1  0.891903  0.800958  0.854500  1
  P  P60  1  0.235809  0.463164  0.658038  1
  P  P61  1  0.230861  0.969248  0.657948  1
  P  P62  1  0.732152  0.467555  0.657991  1
  P  P63  1  0.737135  0.962913  0.657920  1
  P  P64  1  0.122463  0.320820  0.537699  1
  P  P65  1  0.122997  0.823932  0.537801  1
  P  P66  1  0.623413  0.322664  0.537914  1
  P  P67  1  0.623039  0.822670  0.537923  1
  P  P68  1  0.409604  0.016510  0.406564  1
  P  P69  1  0.409648  0.516619  0.406423  1
  P  P70  1  0.909461  0.016073  0.406006  1
  P  P71  1  0.909704  0.516178  0.406526  1
  P  P72  1  0.504932  0.157975  0.975913  1
  P  P73  1  0.504932  0.657975  0.975913  1
  P  P74  1  1.004932  0.157975  0.975913  1
  P  P75  1  1.004932  0.657975  0.975913  1
  P  P76  1  0.020954  0.315431  0.029274  1
  P  P77  1  0.020954  0.815431  0.029274  1
  P  P78  1  0.520954  0.315431  0.029274  1
  P  P79  1  0.520954  0.815431  0.029274  1
  P  P80  1  0.137284  0.414981  0.914579  1
  P  P81  1  0.137284  0.914981  0.914579  1
  P  P82  1  0.637284  0.414981  0.914579  1
  P  P83  1  0.637284  0.914981  0.914579  1
  P  P84  1  0.027637  0.447882  0.967323  1
  P  P85  1  0.027637  0.947882  0.967323  1
  P  P86  1  0.527637  0.447882  0.967323  1
  P  P87  1  0.527637  0.947882  0.967323  1
  P  P88  1  0.137094  0.058506  0.414299  1
  P  P89  1  0.137270  0.558615  0.414756  1
  P  P90  1  0.636949  0.058199  0.414517  1
  P  P91  1  0.637420  0.558125  0.414898  1
  P  P92  1  0.139831  0.165340  0.591990  1
  P  P93  1  0.138895  0.665648  0.590969  1
  P  P94  1  0.639129  0.165298  0.590991  1
  P  P95  1  0.639168  0.664632  0.591151  1
  P  P96  1  0.146211  0.429999  0.354869  1
  P  P97  1  0.146187  0.929127  0.354766  1
  P  P98  1  0.646491  0.429669  0.355052  1
  P  P99  1  0.645731  0.929065  0.354737  1
  P  P100  1  1.011590  0.182844  0.413812  1
  P  P101  1  1.011667  0.682881  0.414397  1
  P  P102  1  0.511655  0.182984  0.414463  1
  P  P103  1  0.511638  0.683023  0.414685  1
  P  P104  1  0.379603  0.429525  0.150387  1
  P  P105  1  0.379603  0.929525  0.150387  1
  P  P106  1  0.879603  0.429525  0.150387  1
  P  P107  1  0.879603  0.929525  0.150387  1
  P  P108  1  0.391712  0.172473  0.354675  1
  P  P109  1  0.392119  0.672985  0.354826  1
  P  P110  1  0.891490  0.171997  0.354261  1
  P  P111  1  0.891721  0.671951  0.354484  1
  P  P112  1  0.248152  0.274745  0.037674  1
  P  P113  1  0.248152  0.774745  0.037674  1
  P  P114  1  0.748152  0.274745  0.037674  1
  P  P115  1  0.748152  0.774745  0.037674  1
  P  P116  1  0.241612  0.142387  0.098877  1
  P  P117  1  0.241612  0.642387  0.098877  1
  P  P118  1  0.741612  0.142387  0.098877  1
  P  P119  1  0.741612  0.642387  0.098877  1
  P  P120  1  0.395988  0.282905  0.529426  1
  P  P121  1  0.395435  0.783173  0.529480  1
  P  P122  1  0.899370  0.278936  0.529287  1
  P  P123  1  0.895824  0.782740  0.529202  1
  P  P124  1  0.027087  0.026701  0.467152  1
  P  P125  1  0.027708  0.525161  0.467417  1
  P  P126  1  0.527574  0.025477  0.467448  1
  P  P127  1  0.527653  0.525327  0.467456  1
  P  P128  1  0.133983  0.172447  0.150687  1
  P  P129  1  0.133983  0.672447  0.150687  1
  P  P130  1  0.633983  0.172447  0.150687  1
  P  P131  1  0.633983  0.672447  0.150687  1
  P  P132  1  1.011707  0.290397  0.914349  1
  P  P133  1  1.011707  0.790397  0.914349  1
  P  P134  1  0.511707  0.290397  0.914349  1
  P  P135  1  0.511707  0.790397  0.914349  1
  P  P136  1  0.388614  0.414996  0.590787  1
  P  P137  1  0.388330  0.915160  0.590375  1
  P  P138  1  0.889249  0.414079  0.589927  1
  P  P139  1  0.888894  0.915327  0.590509  1
  P  P140  1  0.366660  0.205566  0.599510  1
  P  P141  1  0.366559  0.705893  0.599728  1
  P  P142  1  0.866329  0.206013  0.599263  1
  P  P143  1  0.866718  0.705505  0.599317  1
  P  P144  1  0.159595  0.268206  0.405457  1
  P  P145  1  0.159246  0.768257  0.406110  1
  P  P146  1  0.659489  0.267570  0.405899  1
  P  P147  1  0.659058  0.767268  0.405632  1
  P  P148  1  0.498275  0.447873  0.537963  1
  P  P149  1  0.498555  0.948047  0.538064  1
  P  P150  1  0.998771  0.448358  0.537822  1
  P  P151  1  0.997617  0.947552  0.537260  1
  P  P152  1  0.498249  0.025523  0.037864  1
  P  P153  1  0.498249  0.525523  0.037864  1
  P  P154  1  0.998249  0.025523  0.037864  1
  P  P155  1  0.998249  0.525523  0.037864  1
  P  P156  1  0.035495  0.081130  0.905947  1
  P  P157  1  0.035495  0.581130  0.905947  1
  P  P158  1  0.535495  0.081130  0.905947  1
  P  P159  1  0.535495  0.581130  0.905947  1
  P  P160  1  0.277890  0.275056  0.467479  1
  P  P161  1  0.277241  0.775586  0.467919  1
  P  P162  1  0.778415  0.274107  0.467689  1
  P  P163  1  0.777513  0.774102  0.467322  1
  P  P164  1  0.255168  0.407788  0.976428  1
  P  P165  1  0.255168  0.907788  0.976428  1
  P  P166  1  0.755168  0.407788  0.976428  1
  P  P167  1  0.755168  0.907788  0.976428  1
  P  P168  1  0.292097  0.007489  0.347398  1
  P  P169  1  0.291302  0.509656  0.347353  1
  P  P170  1  0.791332  0.007656  0.346993  1
  P  P171  1  0.792507  0.506946  0.347239  1
  P  P172  1  0.035570  0.392080  0.406253  1
  P  P173  1  0.035302  0.892608  0.405985  1
  P  P174  1  0.535539  0.392274  0.406099  1
  P  P175  1  0.535208  0.892081  0.406038  1
  P  P176  1  0.270718  0.065617  0.028759  1
  P  P177  1  0.270718  0.565617  0.028759  1
  P  P178  1  0.770718  0.065617  0.028759  1
  P  P179  1  0.770718  0.565617  0.028759  1
  P  P180  1  0.366471  0.267713  0.099474  1
  P  P181  1  0.366471  0.767713  0.099474  1
  P  P182  1  0.866471  0.267713  0.099474  1
  P  P183  1  0.866471  0.767713  0.099474  1
  P  P184  1  0.152228  0.073327  0.967485  1
  P  P185  1  0.152228  0.573327  0.967485  1
  P  P186  1  0.652228  0.073327  0.967485  1
  P  P187  1  0.652228  0.573327  0.967485  1
  P  P188  1  0.130448  0.191177  0.475088  1
  P  P189  1  0.129836  0.691076  0.476069  1
  P  P190  1  0.629975  0.190569  0.475947  1
  P  P191  1  0.630016  0.690451  0.475977  1
  P  P192  1  0.257034  0.300799  0.150552  1
  P  P193  1  0.257034  0.800799  0.150552  1
  P  P194  1  0.757034  0.300799  0.150552  1
  P  P195  1  0.757034  0.800799  0.150552  1
  P  P196  1  0.395967  0.190720  0.029346  1
  P  P197  1  0.395967  0.690720  0.029346  1
  P  P198  1  0.895967  0.190720  0.029346  1
  P  P199  1  0.895967  0.690720  0.029346  1
  P  P200  1  0.261818  0.041518  0.915716  1
  P  P201  1  0.261818  0.541518  0.915716  1
  P  P202  1  0.761818  0.041518  0.915716  1
  P  P203  1  0.761818  0.541518  0.915716  1
  P  P204  1  0.261856  0.432481  0.415892  1
  P  P205  1  0.261572  0.932078  0.415928  1
  P  P206  1  0.762136  0.431377  0.415899  1
  P  P207  1  0.761392  0.931451  0.415526  1
  P  P208  1  0.017790  0.423942  0.855177  1
  P  P209  1  0.017790  0.923942  0.855177  1
  P  P210  1  0.517790  0.423942  0.855177  1
  P  P211  1  0.517790  0.923942  0.855177  1
  P  P212  1  0.258291  0.174916  0.650971  1
  P  P213  1  0.256363  0.671123  0.650553  1
  P  P214  1  0.756830  0.171098  0.650390  1
  P  P215  1  0.757675  0.673493  0.650422  1
  P  P216  1  0.505031  0.315418  0.476059  1
  P  P217  1  0.504814  0.815540  0.476158  1
  P  P218  1  1.005342  0.313584  0.476049  1
  P  P219  1  1.004778  0.815682  0.475727  1
  P  P220  1  0.292016  0.465506  0.847175  1
  P  P221  1  0.292016  0.965506  0.847175  1
  P  P222  1  0.792016  0.465506  0.847175  1
  P  P223  1  0.792016  0.965506  0.847175  1
  P  P224  1  0.386907  0.165108  0.914064  1
  P  P225  1  0.386907  0.665108  0.914064  1
  P  P226  1  0.886907  0.165108  0.914064  1
  P  P227  1  0.886907  0.665108  0.914064  1
  P  P228  1  0.264068  0.431888  0.089470  1
  P  P229  1  0.264068  0.931888  0.089470  1
  P  P230  1  0.764068  0.431888  0.089470  1
  P  P231  1  0.764068  0.931888  0.089470  1
  P  P232  1  0.159415  0.205692  0.905713  1
  P  P233  1  0.159415  0.705692  0.905713  1
  P  P234  1  0.659415  0.205692  0.905713  1
  P  P235  1  0.659415  0.705692  0.905713  1
  P  P236  1  0.514179  0.183009  0.090838  1
  P  P237  1  0.514179  0.683009  0.090838  1
  P  P238  1  0.014179  0.183009  0.090838  1
  P  P239  1  0.014179  0.683009  0.090838  1
  P  P240  1  0.116130  0.016439  0.098866  1
  P  P241  1  0.116130  0.516439  0.098866  1
  P  P242  1  0.616130  0.016439  0.098866  1
  P  P243  1  0.616130  0.516439  0.098866  1
  P  P244  1  0.514199  0.290279  0.590912  1
  P  P245  1  0.514292  0.790396  0.590785  1
  P  P246  1  0.015136  0.290154  0.590550  1
  P  P247  1  0.014069  0.790775  0.590773  1
  P  P248  1  0.134057  0.301306  0.650946  1
  P  P249  1  0.133939  0.801268  0.650658  1
  P  P250  1  0.634247  0.300730  0.650707  1
  P  P251  1  0.634248  0.801127  0.650586  1
  P  P252  1  0.380474  0.440503  0.476490  1
  P  P253  1  0.380163  0.940393  0.476669  1
  P  P254  1  0.881258  0.438696  0.476640  1
  P  P255  1  0.879960  0.939574  0.475892  1
  P  P256  1  0.373658  0.400078  0.037702  1
  P  P257  1  0.373658  0.900078  0.037702  1
  P  P258  1  0.873658  0.400078  0.037702  1
  P  P259  1  0.873658  0.900078  0.037702  1
  P  P260  1  0.233870  0.007899  0.158012  1
  P  P261  1  0.233870  0.507899  0.158012  1
  P  P262  1  0.733870  0.007899  0.158012  1
  P  P263  1  0.733870  0.507899  0.158012  1
  P  P264  1  0.268852  0.172607  0.854635  1
  P  P265  1  0.268852  0.672607  0.854635  1
  P  P266  1  0.768852  0.172607  0.854635  1
  P  P267  1  0.768852  0.672607  0.854635  1
  P  P268  1  0.284274  0.331018  0.906310  1
  P  P269  1  0.284274  0.831018  0.906310  1
  P  P270  1  0.784274  0.331018  0.906310  1
  P  P271  1  0.784274  0.831018  0.906310  1
  P  P272  1  0.380451  0.033257  0.976341  1
  P  P273  1  0.380451  0.533257  0.976341  1
  P  P274  1  0.880451  0.033257  0.976341  1
  P  P275  1  0.880451  0.533257  0.976341  1
  P  P276  1  0.152213  0.399984  0.467663  1
  P  P277  1  0.151503  0.901660  0.467798  1
  P  P278  1  0.652617  0.399604  0.467640  1
  P  P279  1  0.652006  0.899714  0.467433  1
  P  P280  1  0.409756  0.456966  0.906321  1
  P  P281  1  0.409756  0.956966  0.906321  1
  P  P282  1  0.909756  0.456966  0.906321  1
  P  P283  1  0.909756  0.956966  0.906321  1
  P  P284  1  0.490585  0.080962  0.599448  1
  P  P285  1  0.490464  0.581244  0.599327  1
  P  P286  1  0.990620  0.082459  0.596795  1
  P  P287  1  0.990695  0.581052  0.599219  1
  P  P288  1  0.123032  0.150674  0.037836  1
  P  P289  1  0.123032  0.650674  0.037836  1
  P  P290  1  0.623032  0.150674  0.037836  1
  P  P291  1  0.623032  0.650674  0.037836  1
  P  P292  1  0.138979  0.308298  0.091123  1
  P  P293  1  0.138979  0.808298  0.091123  1
  P  P294  1  0.638979  0.308298  0.091123  1
  P  P295  1  0.638979  0.808298  0.091123  1
  P  P296  1  0.387023  0.308474  0.414266  1
  P  P297  1  0.386718  0.808590  0.414410  1
  P  P298  1  0.887061  0.307842  0.414034  1
  P  P299  1  0.886657  0.807793  0.413876  1
  P  P300  1  0.141889  0.037840  0.528887  1
  P  P301  1  0.145470  0.532851  0.528986  1
  P  P302  1  0.645574  0.033122  0.528899  1
  P  P303  1  0.645893  0.532612  0.528808  1
  P  P304  1  0.402758  0.150724  0.467483  1
  P  P305  1  0.402676  0.650925  0.467592  1
  P  P306  1  0.902482  0.149861  0.466911  1
  P  P307  1  0.902875  0.650323  0.467323  1
  P  P308  1  0.490391  0.392276  0.099240  1
  P  P309  1  0.490391  0.892276  0.099240  1
  P  P310  1  0.990391  0.392276  0.099240  1
  P  P311  1  0.990391  0.892276  0.099240  1
  P  P312  1  0.254736  0.065807  0.476598  1
  P  P313  1  0.255050  0.566041  0.476722  1
  P  P314  1  0.754745  0.065282  0.476226  1
  P  P315  1  0.755688  0.564789  0.476538  1
  P  P316  1  0.145435  0.440148  0.028846  1
  P  P317  1  0.145435  0.940148  0.028846  1
  P  P318  1  0.645435  0.440148  0.028846  1
  P  P319  1  0.645435  0.940148  0.028846  1
  P  P320  1  0.284137  0.142599  0.406398  1
  P  P321  1  0.284236  0.642986  0.406737  1
  P  P322  1  0.784035  0.142019  0.406195  1
  P  P323  1  0.784008  0.641888  0.406210  1
  P  P324  1  0.378608  0.042873  0.650241  1
  P  P325  1  0.380201  0.544321  0.650525  1
  P  P326  1  0.881380  0.045825  0.649791  1
  P  P327  1  0.879031  0.542550  0.649916  1
  P  P328  1  0.508544  0.424026  0.650093  1
  P  P329  1  0.507387  0.923132  0.649887  1
  P  P330  1  1.007509  0.422944  0.649653  1
  P  P331  1  1.009916  0.928004  0.649303  1
  P  P332  1  0.248356  0.198642  0.537541  1
  P  P333  1  0.248036  0.699366  0.538001  1
  P  P334  1  0.748668  0.198729  0.537698  1
  P  P335  1  0.748179  0.698248  0.537558  1
