# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.76064899
_cell_length_b   15.54833385
_cell_length_c   41.85485211
_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   13427.774321
_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  0.276379  0.199916  0.967028  1
  P  P2  1  0.276379  0.699916  0.967028  1
  P  P3  1  0.776379  0.199916  0.967028  1
  P  P4  1  0.776379  0.699916  0.967028  1
  P  P5  1  0.128792  0.284294  0.975315  1
  P  P6  1  0.128792  0.784294  0.975315  1
  P  P7  1  0.628792  0.284294  0.975315  1
  P  P8  1  0.628792  0.784294  0.975315  1
  P  P9  1  0.016618  0.051079  0.354603  1
  P  P10  1  0.016631  0.551279  0.354790  1
  P  P11  1  0.516534  0.051297  0.354739  1
  P  P12  1  0.517039  0.551830  0.354835  1
  P  P13  1  0.269429  0.409295  0.528125  1
  P  P14  1  0.268920  0.910778  0.528492  1
  P  P15  1  0.769504  0.409256  0.528246  1
  P  P16  1  0.769132  0.909181  0.528232  1
  P  P17  1  0.018997  0.158621  0.528382  1
  P  P18  1  0.019693  0.659513  0.528806  1
  P  P19  1  0.519549  0.159667  0.528804  1
  P  P20  1  0.519366  0.659901  0.528816  1
  P  P21  1  0.401508  0.324023  0.966856  1
  P  P22  1  0.401508  0.824023  0.966856  1
  P  P23  1  0.901508  0.324023  0.966856  1
  P  P24  1  0.901508  0.824023  0.966856  1
  P  P25  1  0.260281  0.046404  0.589099  1
  P  P26  1  0.262665  0.542516  0.588845  1
  P  P27  1  0.762730  0.043025  0.588989  1
  P  P28  1  0.762966  0.542560  0.588929  1
  P  P29  1  0.267989  0.303398  0.354206  1
  P  P30  1  0.267289  0.801523  0.354127  1
  P  P31  1  0.767535  0.302258  0.354212  1
  P  P32  1  0.767530  0.802324  0.354173  1
  P  P33  1  0.240232  0.330331  0.597599  1
  P  P34  1  0.239792  0.833296  0.598135  1
  P  P35  1  0.740566  0.332231  0.598282  1
  P  P36  1  0.740374  0.831980  0.598367  1
  P  P37  1  0.115475  0.458624  0.598346  1
  P  P38  1  0.115054  0.960764  0.598547  1
  P  P39  1  0.615055  0.458443  0.598460  1
  P  P40  1  0.615000  0.958028  0.598391  1
  P  P41  1  0.372403  0.074630  0.537334  1
  P  P42  1  0.372369  0.574958  0.537265  1
  P  P43  1  0.872044  0.074298  0.537018  1
  P  P44  1  0.872959  0.574199  0.537249  1
  P  P45  1  0.387160  0.059925  0.090058  1
  P  P46  1  0.387160  0.559925  0.090058  1
  P  P47  1  0.887160  0.059925  0.090058  1
  P  P48  1  0.887160  0.559925  0.090058  1
  P  P49  1  0.145133  0.045189  0.854302  1
  P  P50  1  0.145133  0.545189  0.854302  1
  P  P51  1  0.645133  0.045189  0.854302  1
  P  P52  1  0.645133  0.545189  0.854302  1
  P  P53  1  0.506592  0.051307  0.149439  1
  P  P54  1  0.506592  0.551307  0.149439  1
  P  P55  1  1.006592  0.051307  0.149439  1
  P  P56  1  1.006592  0.551307  0.149439  1
  P  P57  1  0.390818  0.302136  0.854007  1
  P  P58  1  0.390818  0.802136  0.854007  1
  P  P59  1  0.890818  0.302136  0.854007  1
  P  P60  1  0.890818  0.802136  0.854007  1
  P  P61  1  0.234732  0.462699  0.657045  1
  P  P62  1  0.235665  0.964421  0.657722  1
  P  P63  1  0.733137  0.465979  0.657516  1
  P  P64  1  0.732476  0.966613  0.657460  1
  P  P65  1  0.122285  0.322085  0.537468  1
  P  P66  1  0.121755  0.825245  0.537407  1
  P  P67  1  0.621897  0.324218  0.537362  1
  P  P68  1  0.621839  0.824034  0.537369  1
  P  P69  1  0.408464  0.018460  0.405921  1
  P  P70  1  0.408352  0.518507  0.405754  1
  P  P71  1  0.908301  0.018034  0.405670  1
  P  P72  1  0.908450  0.518235  0.405883  1
  P  P73  1  0.503815  0.159552  0.975385  1
  P  P74  1  0.503815  0.659552  0.975385  1
  P  P75  1  1.003815  0.159552  0.975385  1
  P  P76  1  1.003815  0.659552  0.975385  1
  P  P77  1  0.019549  0.316825  0.028747  1
  P  P78  1  0.019549  0.816825  0.028747  1
  P  P79  1  0.519549  0.316825  0.028747  1
  P  P80  1  0.519549  0.816825  0.028747  1
  P  P81  1  0.136205  0.416452  0.914074  1
  P  P82  1  0.136205  0.916452  0.914074  1
  P  P83  1  0.636205  0.416452  0.914074  1
  P  P84  1  0.636205  0.916452  0.914074  1
  P  P85  1  0.026273  0.449177  0.966816  1
  P  P86  1  0.026273  0.949177  0.966816  1
  P  P87  1  0.526273  0.449177  0.966816  1
  P  P88  1  0.526273  0.949177  0.966816  1
  P  P89  1  0.136113  0.059857  0.413881  1
  P  P90  1  0.136140  0.559986  0.414232  1
  P  P91  1  0.636054  0.060019  0.414092  1
  P  P92  1  0.636258  0.560069  0.414259  1
  P  P93  1  0.137530  0.666883  0.590290  1
  P  P94  1  0.637708  0.166621  0.590613  1
  P  P95  1  0.637490  0.666640  0.590554  1
  P  P96  1  0.144953  0.431472  0.354328  1
  P  P97  1  0.145180  0.931012  0.354230  1
  P  P98  1  0.645250  0.431503  0.354442  1
  P  P99  1  0.644925  0.931175  0.354335  1
  P  P100  1  1.010509  0.184455  0.413763  1
  P  P101  1  1.010571  0.684470  0.413955  1
  P  P102  1  0.510554  0.184679  0.413919  1
  P  P103  1  0.510557  0.684728  0.414037  1
  P  P104  1  0.378232  0.431188  0.149830  1
  P  P105  1  0.378232  0.931188  0.149830  1
  P  P106  1  0.878232  0.431188  0.149830  1
  P  P107  1  0.878232  0.931188  0.149830  1
  P  P108  1  0.390698  0.174308  0.354010  1
  P  P109  1  0.390985  0.674646  0.354110  1
  P  P110  1  0.890683  0.174205  0.354005  1
  P  P111  1  0.890767  0.674272  0.354066  1
  P  P112  1  0.246986  0.276461  0.037103  1
  P  P113  1  0.246986  0.776461  0.037103  1
  P  P114  1  0.746986  0.276461  0.037103  1
  P  P115  1  0.746986  0.776461  0.037103  1
  P  P116  1  0.240299  0.144197  0.098249  1
  P  P117  1  0.240299  0.644197  0.098249  1
  P  P118  1  0.740299  0.144197  0.098249  1
  P  P119  1  0.740299  0.644197  0.098249  1
  P  P120  1  0.394838  0.284716  0.528773  1
  P  P121  1  0.394169  0.784939  0.529032  1
  P  P122  1  0.894844  0.283752  0.528809  1
  P  P123  1  0.894544  0.784056  0.528818  1
  P  P124  1  0.026196  0.027088  0.466709  1
  P  P125  1  0.026247  0.527146  0.466933  1
  P  P126  1  0.526220  0.027350  0.466913  1
  P  P127  1  0.526205  0.527431  0.466900  1
  P  P128  1  0.132547  0.174241  0.150125  1
  P  P129  1  0.132547  0.674241  0.150125  1
  P  P130  1  0.632547  0.174241  0.150125  1
  P  P131  1  0.632547  0.674241  0.150125  1
  P  P132  1  1.010598  0.291865  0.913862  1
  P  P133  1  1.010598  0.791865  0.913862  1
  P  P134  1  0.510598  0.291865  0.913862  1
  P  P135  1  0.510598  0.791865  0.913862  1
  P  P136  1  0.387011  0.416484  0.590181  1
  P  P137  1  0.385932  0.917757  0.590268  1
  P  P138  1  0.888129  0.415394  0.589777  1
  P  P139  1  0.886719  0.915767  0.590040  1
  P  P140  1  0.365785  0.207069  0.598817  1
  P  P141  1  0.364720  0.707541  0.598991  1
  P  P142  1  0.865552  0.207019  0.598954  1
  P  P143  1  0.865516  0.706528  0.598971  1
  P  P144  1  0.158161  0.269635  0.405074  1
  P  P145  1  0.158032  0.769582  0.405419  1
  P  P146  1  0.658072  0.269616  0.405314  1
  P  P147  1  0.658011  0.769466  0.405261  1
  P  P148  1  0.497098  0.449573  0.537421  1
  P  P149  1  0.496937  0.949285  0.537456  1
  P  P150  1  0.997851  0.448280  0.537535  1
  P  P151  1  0.996886  0.949000  0.537223  1
  P  P152  1  0.497091  0.027200  0.037316  1
  P  P153  1  0.497091  0.527200  0.037316  1
  P  P154  1  0.997091  0.027200  0.037316  1
  P  P155  1  0.997091  0.527200  0.037316  1
  P  P156  1  0.034230  0.082322  0.905456  1
  P  P157  1  0.034230  0.582322  0.905456  1
  P  P158  1  0.534230  0.082322  0.905456  1
  P  P159  1  0.534230  0.582322  0.905456  1
  P  P160  1  0.276530  0.276799  0.466682  1
  P  P161  1  0.276252  0.777030  0.467274  1
  P  P162  1  0.776386  0.276401  0.467069  1
  P  P163  1  0.776253  0.776410  0.467040  1
  P  P164  1  0.254028  0.409403  0.975898  1
  P  P165  1  0.254028  0.909403  0.975898  1
  P  P166  1  0.754028  0.409403  0.975898  1
  P  P167  1  0.754028  0.909403  0.975898  1
  P  P168  1  0.291138  0.008961  0.346727  1
  P  P169  1  0.289722  0.511641  0.346751  1
  P  P170  1  0.790151  0.010167  0.346678  1
  P  P171  1  0.790717  0.509833  0.346783  1
  P  P172  1  0.034242  0.394055  0.405591  1
  P  P173  1  0.034155  0.893998  0.405423  1
  P  P174  1  0.534203  0.394352  0.405533  1
  P  P175  1  0.534118  0.894153  0.405532  1
  P  P176  1  0.269337  0.066974  0.028233  1
  P  P177  1  0.269337  0.566974  0.028233  1
  P  P178  1  0.769337  0.066974  0.028233  1
  P  P179  1  0.769337  0.566974  0.028233  1
  P  P180  1  0.365228  0.269454  0.098901  1
  P  P181  1  0.365228  0.769454  0.098901  1
  P  P182  1  0.865228  0.269454  0.098901  1
  P  P183  1  0.865228  0.769454  0.098901  1
  P  P184  1  0.150885  0.074592  0.966977  1
  P  P185  1  0.150885  0.574592  0.966977  1
  P  P186  1  0.650885  0.074592  0.966977  1
  P  P187  1  0.650885  0.574592  0.966977  1
  P  P188  1  0.128794  0.191931  0.475013  1
  P  P189  1  0.128740  0.692299  0.475517  1
  P  P190  1  0.628752  0.192196  0.475386  1
  P  P191  1  0.628832  0.692205  0.475452  1
  P  P192  1  0.255746  0.302244  0.149992  1
  P  P193  1  0.255746  0.802244  0.149992  1
  P  P194  1  0.755746  0.302244  0.149992  1
  P  P195  1  0.755746  0.802244  0.149992  1
  P  P196  1  0.394573  0.192083  0.028816  1
  P  P197  1  0.394573  0.692083  0.028816  1
  P  P198  1  0.894573  0.192083  0.028816  1
  P  P199  1  0.894573  0.692083  0.028816  1
  P  P200  1  0.260710  0.043016  0.915179  1
  P  P201  1  0.260710  0.543016  0.915179  1
  P  P202  1  0.760710  0.043016  0.915179  1
  P  P203  1  0.760710  0.543016  0.915179  1
  P  P204  1  0.260677  0.433925  0.415208  1
  P  P205  1  0.260613  0.933224  0.415129  1
  P  P206  1  0.760795  0.433415  0.415304  1
  P  P207  1  0.760565  0.933362  0.415177  1
  P  P208  1  0.016772  0.425070  0.854692  1
  P  P209  1  0.016772  0.925070  0.854692  1
  P  P210  1  0.516772  0.425070  0.854692  1
  P  P211  1  0.516772  0.925070  0.854692  1
  P  P212  1  0.256173  0.174248  0.650034  1
  P  P213  1  0.254789  0.672929  0.649682  1
  P  P214  1  0.755877  0.174355  0.650017  1
  P  P215  1  0.755894  0.673451  0.649892  1
  P  P216  1  0.503845  0.317040  0.475449  1
  P  P217  1  0.503718  0.817066  0.475519  1
  P  P218  1  1.004019  0.316500  0.475506  1
  P  P219  1  1.003772  0.816767  0.475394  1
  P  P220  1  0.290477  0.466348  0.846710  1
  P  P221  1  0.290477  0.966348  0.846710  1
  P  P222  1  0.790477  0.466348  0.846710  1
  P  P223  1  0.790477  0.966348  0.846710  1
  P  P224  1  0.385801  0.166570  0.913560  1
  P  P225  1  0.385801  0.666570  0.913560  1
  P  P226  1  0.885801  0.166570  0.913560  1
  P  P227  1  0.885801  0.666570  0.913560  1
  P  P228  1  0.262654  0.433361  0.088953  1
  P  P229  1  0.262654  0.933361  0.088953  1
  P  P230  1  0.762654  0.433361  0.088953  1
  P  P231  1  0.762654  0.933361  0.088953  1
  P  P232  1  0.158137  0.206924  0.905231  1
  P  P233  1  0.158137  0.706924  0.905231  1
  P  P234  1  0.658137  0.206924  0.905231  1
  P  P235  1  0.658137  0.706924  0.905231  1
  P  P236  1  0.512767  0.184512  0.090269  1
  P  P237  1  0.512767  0.684512  0.090269  1
  P  P238  1  0.012767  0.184512  0.090269  1
  P  P239  1  0.012767  0.684512  0.090269  1
  P  P240  1  0.114903  0.018199  0.098366  1
  P  P241  1  0.114903  0.518199  0.098366  1
  P  P242  1  0.614903  0.018199  0.098366  1
  P  P243  1  0.614903  0.518199  0.098366  1
  P  P244  1  0.512935  0.292152  0.590288  1
  P  P245  1  0.512236  0.792276  0.590313  1
  P  P246  1  0.014805  0.288764  0.589704  1
  P  P247  1  0.013074  0.792592  0.590237  1
  P  P248  1  0.133053  0.299866  0.648503  1
  P  P249  1  0.132743  0.803251  0.649815  1
  P  P250  1  0.632580  0.302197  0.650128  1
  P  P251  1  0.632454  0.801899  0.650081  1
  P  P252  1  0.379383  0.442042  0.475786  1
  P  P253  1  0.379227  0.941721  0.475896  1
  P  P254  1  0.879591  0.441334  0.475928  1
  P  P255  1  0.879181  0.941418  0.475734  1
  P  P256  1  0.372479  0.401785  0.037155  1
  P  P257  1  0.372479  0.901785  0.037155  1
  P  P258  1  0.872479  0.401785  0.037155  1
  P  P259  1  0.872479  0.901785  0.037155  1
  P  P260  1  0.232887  0.010030  0.157422  1
  P  P261  1  0.232887  0.510030  0.157422  1
  P  P262  1  0.732887  0.010030  0.157422  1
  P  P263  1  0.732887  0.510030  0.157422  1
  P  P264  1  0.267618  0.174133  0.854139  1
  P  P265  1  0.267618  0.674133  0.854139  1
  P  P266  1  0.767618  0.174133  0.854139  1
  P  P267  1  0.767618  0.674133  0.854139  1
  P  P268  1  0.283066  0.332180  0.905883  1
  P  P269  1  0.283066  0.832180  0.905883  1
  P  P270  1  0.783066  0.332180  0.905883  1
  P  P271  1  0.783066  0.832180  0.905883  1
  P  P272  1  0.379323  0.034819  0.975781  1
  P  P273  1  0.379323  0.534819  0.975781  1
  P  P274  1  0.879323  0.034819  0.975781  1
  P  P275  1  0.879323  0.534819  0.975781  1
  P  P276  1  0.150859  0.401446  0.467109  1
  P  P277  1  0.150783  0.902252  0.467102  1
  P  P278  1  0.650895  0.401885  0.467064  1
  P  P279  1  0.650751  0.901817  0.466999  1
  P  P280  1  0.408461  0.458178  0.905766  1
  P  P281  1  0.408461  0.958178  0.905766  1
  P  P282  1  0.908461  0.458178  0.905766  1
  P  P283  1  0.908461  0.958178  0.905766  1
  P  P284  1  0.489589  0.082398  0.598726  1
  P  P285  1  0.488988  0.582729  0.598718  1
  P  P286  1  0.987408  0.080888  0.598375  1
  P  P287  1  0.989539  0.582344  0.598761  1
  P  P288  1  0.121857  0.152354  0.037276  1
  P  P289  1  0.121857  0.652354  0.037276  1
  P  P290  1  0.621857  0.152354  0.037276  1
  P  P291  1  0.621857  0.652354  0.037276  1
  P  P292  1  0.137564  0.309807  0.090572  1
  P  P293  1  0.137564  0.809807  0.090572  1
  P  P294  1  0.637564  0.309807  0.090572  1
  P  P295  1  0.637564  0.809807  0.090572  1
  P  P296  1  0.385906  0.309998  0.413604  1
  P  P297  1  0.385714  0.810114  0.413620  1
  P  P298  1  0.885815  0.309835  0.413600  1
  P  P299  1  0.885717  0.809719  0.413592  1
  P  P300  1  0.143822  0.036061  0.528414  1
  P  P301  1  0.144062  0.534117  0.528320  1
  P  P302  1  0.643994  0.034847  0.528406  1
  P  P303  1  0.644059  0.534923  0.528406  1
  P  P304  1  0.401389  0.152488  0.466951  1
  P  P305  1  0.401413  0.652794  0.467002  1
  P  P306  1  0.901350  0.152158  0.466719  1
  P  P307  1  0.901454  0.652325  0.466906  1
  P  P308  1  0.489135  0.394055  0.098675  1
  P  P309  1  0.489135  0.894055  0.098675  1
  P  P310  1  0.989135  0.394055  0.098675  1
  P  P311  1  0.989135  0.894055  0.098675  1
  P  P312  1  0.253988  0.066944  0.475665  1
  P  P313  1  0.253930  0.567252  0.476035  1
  P  P314  1  0.753824  0.066926  0.475884  1
  P  P315  1  0.754218  0.566953  0.476025  1
  P  P316  1  0.144042  0.441558  0.028351  1
  P  P317  1  0.144042  0.941558  0.028351  1
  P  P318  1  0.644042  0.441558  0.028351  1
  P  P319  1  0.644042  0.941558  0.028351  1
  P  P320  1  0.282969  0.144207  0.405654  1
  P  P321  1  0.283106  0.644688  0.406160  1
  P  P322  1  0.782919  0.144197  0.405878  1
  P  P323  1  0.782969  0.644185  0.405903  1
  P  P324  1  0.378476  0.046623  0.649739  1
  P  P325  1  0.378500  0.545972  0.649843  1
  P  P326  1  0.877890  0.044776  0.649911  1
  P  P327  1  0.878612  0.543850  0.649568  1
  P  P328  1  0.506634  0.425336  0.649434  1
  P  P329  1  0.506343  0.925084  0.649388  1
  P  P330  1  1.006856  0.422128  0.648627  1
  P  P331  1  1.006448  0.925200  0.649399  1
  P  P332  1  0.248021  0.200089  0.536285  1
  P  P333  1  0.246731  0.700386  0.537211  1
  P  P334  1  0.746980  0.199972  0.537155  1
  P  P335  1  0.747204  0.699741  0.537226  1
