# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.73130782
_cell_length_b   15.57481213
_cell_length_c   41.83746202
_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   13426.0508268
_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  0.277201  0.199212  0.967218  1
  P  P2  1  0.277201  0.699212  0.967218  1
  P  P3  1  0.777201  0.199212  0.967218  1
  P  P4  1  0.777201  0.699212  0.967218  1
  P  P5  1  0.129482  0.283399  0.975523  1
  P  P6  1  0.129482  0.783399  0.975523  1
  P  P7  1  0.629482  0.283399  0.975523  1
  P  P8  1  0.629482  0.783399  0.975523  1
  P  P9  1  0.017055  0.049610  0.354676  1
  P  P10  1  0.017298  0.550440  0.355095  1
  P  P11  1  0.516752  0.050195  0.355119  1
  P  P12  1  0.517984  0.551167  0.355074  1
  P  P13  1  0.270101  0.908982  0.528528  1
  P  P14  1  0.770203  0.408482  0.528611  1
  P  P15  1  0.770086  0.908538  0.528423  1
  P  P16  1  0.019980  0.157637  0.528766  1
  P  P17  1  0.021413  0.657519  0.528918  1
  P  P18  1  0.518732  0.160733  0.529259  1
  P  P19  1  0.520560  0.658752  0.528941  1
  P  P20  1  0.402324  0.323299  0.967053  1
  P  P21  1  0.402324  0.823299  0.967053  1
  P  P22  1  0.902324  0.323299  0.967053  1
  P  P23  1  0.902324  0.823299  0.967053  1
  P  P24  1  0.263358  0.043426  0.588804  1
  P  P25  1  0.264856  0.540738  0.588240  1
  P  P26  1  0.763524  0.041825  0.589181  1
  P  P27  1  0.763583  0.542355  0.589241  1
  P  P28  1  0.268667  0.302918  0.354181  1
  P  P29  1  0.267727  0.799630  0.354556  1
  P  P30  1  0.767744  0.300680  0.354352  1
  P  P31  1  0.768506  0.802217  0.354613  1
  P  P32  1  0.241117  0.331683  0.594583  1
  P  P33  1  0.241753  0.832899  0.599352  1
  P  P34  1  0.741448  0.331704  0.598895  1
  P  P35  1  0.741247  0.831253  0.598408  1
  P  P36  1  0.117090  0.458367  0.599192  1
  P  P37  1  0.114822  0.957047  0.597615  1
  P  P38  1  0.615853  0.457441  0.598409  1
  P  P39  1  0.616029  0.957672  0.598971  1
  P  P40  1  0.373139  0.075246  0.537252  1
  P  P41  1  0.373609  0.572731  0.537420  1
  P  P42  1  0.872978  0.073720  0.537380  1
  P  P43  1  0.873563  0.573778  0.537521  1
  P  P44  1  0.388046  0.059084  0.090276  1
  P  P45  1  0.388046  0.559084  0.090276  1
  P  P46  1  0.888046  0.059084  0.090276  1
  P  P47  1  0.888046  0.559084  0.090276  1
  P  P48  1  0.145819  0.044465  0.854502  1
  P  P49  1  0.145819  0.544465  0.854502  1
  P  P50  1  0.645819  0.044465  0.854502  1
  P  P51  1  0.645819  0.544465  0.854502  1
  P  P52  1  0.507521  0.050269  0.149665  1
  P  P53  1  0.507521  0.550269  0.149665  1
  P  P54  1  1.007521  0.050269  0.149665  1
  P  P55  1  1.007521  0.550269  0.149665  1
  P  P56  1  0.391482  0.301467  0.854205  1
  P  P57  1  0.391482  0.801467  0.854205  1
  P  P58  1  0.891482  0.301467  0.854205  1
  P  P59  1  0.891482  0.801467  0.854205  1
  P  P60  1  0.244165  0.453462  0.656247  1
  P  P61  1  0.227366  0.975357  0.657065  1
  P  P62  1  0.731929  0.467789  0.657755  1
  P  P63  1  0.735349  0.963658  0.657833  1
  P  P64  1  0.120511  0.321597  0.537047  1
  P  P65  1  0.122964  0.823570  0.537332  1
  P  P66  1  0.622861  0.323350  0.537641  1
  P  P67  1  0.622597  0.823756  0.537658  1
  P  P68  1  0.408957  0.017967  0.406519  1
  P  P69  1  0.409124  0.517355  0.405714  1
  P  P70  1  0.908643  0.016738  0.405709  1
  P  P71  1  0.909437  0.517152  0.406336  1
  P  P72  1  0.504499  0.158673  0.975594  1
  P  P73  1  0.504499  0.658673  0.975594  1
  P  P74  1  1.004499  0.158673  0.975594  1
  P  P75  1  1.004499  0.658673  0.975594  1
  P  P76  1  0.020407  0.316045  0.028955  1
  P  P77  1  0.020407  0.816045  0.028955  1
  P  P78  1  0.520407  0.316045  0.028955  1
  P  P79  1  0.520407  0.816045  0.028955  1
  P  P80  1  0.136859  0.415633  0.914273  1
  P  P81  1  0.136859  0.915633  0.914273  1
  P  P82  1  0.636859  0.415633  0.914273  1
  P  P83  1  0.636859  0.915633  0.914273  1
  P  P84  1  0.027100  0.448452  0.967019  1
  P  P85  1  0.027100  0.948452  0.967019  1
  P  P86  1  0.527100  0.448452  0.967019  1
  P  P87  1  0.527100  0.948452  0.967019  1
  P  P88  1  0.136543  0.058594  0.413942  1
  P  P89  1  0.137130  0.558481  0.414580  1
  P  P90  1  0.636501  0.059347  0.414449  1
  P  P91  1  0.636898  0.559307  0.414545  1
  P  P92  1  0.138710  0.165187  0.590741  1
  P  P93  1  0.138855  0.665844  0.589811  1
  P  P94  1  0.638167  0.166105  0.590735  1
  P  P95  1  0.638668  0.665900  0.590888  1
  P  P96  1  0.145231  0.430220  0.354396  1
  P  P97  1  0.145779  0.929391  0.354455  1
  P  P98  1  0.646079  0.430701  0.354729  1
  P  P99  1  0.645155  0.930115  0.354709  1
  P  P100  1  1.010774  0.183295  0.413722  1
  P  P101  1  1.011536  0.683103  0.414416  1
  P  P102  1  0.510974  0.184003  0.414235  1
  P  P103  1  0.511170  0.684034  0.414306  1
  P  P104  1  0.379086  0.430252  0.150047  1
  P  P105  1  0.379086  0.930252  0.150047  1
  P  P106  1  0.879086  0.430252  0.150047  1
  P  P107  1  0.879086  0.930252  0.150047  1
  P  P108  1  0.390973  0.173005  0.354212  1
  P  P109  1  0.391587  0.673698  0.354439  1
  P  P110  1  0.891049  0.172973  0.354083  1
  P  P111  1  0.891468  0.673254  0.354480  1
  P  P112  1  0.247705  0.275506  0.037331  1
  P  P113  1  0.247705  0.775506  0.037331  1
  P  P114  1  0.747705  0.275506  0.037331  1
  P  P115  1  0.747705  0.775506  0.037331  1
  P  P116  1  0.241106  0.143191  0.098505  1
  P  P117  1  0.241106  0.643191  0.098505  1
  P  P118  1  0.741106  0.143191  0.098505  1
  P  P119  1  0.741106  0.643191  0.098505  1
  P  P120  1  0.391944  0.287989  0.529360  1
  P  P121  1  0.395581  0.783146  0.529059  1
  P  P122  1  0.895642  0.283190  0.529076  1
  P  P123  1  0.895600  0.782886  0.528992  1
  P  P124  1  0.026664  0.025579  0.466640  1
  P  P125  1  0.027618  0.525529  0.467355  1
  P  P126  1  0.526565  0.027303  0.467380  1
  P  P127  1  0.527112  0.526429  0.467053  1
  P  P128  1  0.133424  0.173251  0.150344  1
  P  P129  1  0.133424  0.673251  0.150344  1
  P  P130  1  0.633424  0.173251  0.150344  1
  P  P131  1  0.633424  0.673251  0.150344  1
  P  P132  1  1.011271  0.291047  0.914054  1
  P  P133  1  1.011271  0.791047  0.914054  1
  P  P134  1  0.511271  0.291047  0.914054  1
  P  P135  1  0.511271  0.791047  0.914054  1
  P  P136  1  0.389217  0.416500  0.591811  1
  P  P137  1  0.388010  0.916152  0.589878  1
  P  P138  1  0.888069  0.415490  0.590182  1
  P  P139  1  0.888288  0.915291  0.590298  1
  P  P140  1  0.366945  0.205973  0.598802  1
  P  P141  1  0.365689  0.706535  0.599017  1
  P  P142  1  0.866038  0.206199  0.599230  1
  P  P143  1  0.866300  0.705932  0.599208  1
  P  P144  1  0.158826  0.268458  0.405159  1
  P  P145  1  0.158538  0.767914  0.405643  1
  P  P146  1  0.658682  0.268613  0.405628  1
  P  P147  1  0.658717  0.768665  0.405562  1
  P  P148  1  0.498047  0.448281  0.537597  1
  P  P149  1  0.497851  0.949300  0.537718  1
  P  P150  1  0.998384  0.448566  0.537800  1
  P  P151  1  0.997361  0.947958  0.537240  1
  P  P152  1  0.497805  0.026265  0.037530  1
  P  P153  1  0.497805  0.526265  0.037530  1
  P  P154  1  0.997805  0.026265  0.037530  1
  P  P155  1  0.997805  0.526265  0.037530  1
  P  P156  1  0.034992  0.081653  0.905654  1
  P  P157  1  0.034992  0.581653  0.905654  1
  P  P158  1  0.534992  0.081653  0.905654  1
  P  P159  1  0.534992  0.581653  0.905654  1
  P  P160  1  0.276753  0.276937  0.467146  1
  P  P161  1  0.277076  0.774900  0.467514  1
  P  P162  1  0.777163  0.275481  0.467405  1
  P  P163  1  0.777034  0.775448  0.467230  1
  P  P164  1  0.254724  0.408503  0.976107  1
  P  P165  1  0.254724  0.908503  0.976107  1
  P  P166  1  0.754724  0.408503  0.976107  1
  P  P167  1  0.754724  0.908503  0.976107  1
  P  P168  1  0.292182  0.006918  0.347190  1
  P  P169  1  0.289592  0.511658  0.346873  1
  P  P170  1  0.789811  0.010041  0.346849  1
  P  P171  1  0.792452  0.507544  0.347114  1
  P  P172  1  0.034885  0.392793  0.405686  1
  P  P173  1  0.034560  0.892536  0.405446  1
  P  P174  1  0.534889  0.393355  0.405793  1
  P  P175  1  0.534648  0.893496  0.405998  1
  P  P176  1  0.270181  0.066215  0.028443  1
  P  P177  1  0.270181  0.566215  0.028443  1
  P  P178  1  0.770181  0.066215  0.028443  1
  P  P179  1  0.770181  0.566215  0.028443  1
  P  P180  1  0.365997  0.268483  0.099125  1
  P  P181  1  0.365997  0.768483  0.099125  1
  P  P182  1  0.865997  0.268483  0.099125  1
  P  P183  1  0.865997  0.768483  0.099125  1
  P  P184  1  0.151701  0.073883  0.967180  1
  P  P185  1  0.151701  0.573883  0.967180  1
  P  P186  1  0.651701  0.073883  0.967180  1
  P  P187  1  0.651701  0.573883  0.967180  1
  P  P188  1  0.128699  0.190759  0.474897  1
  P  P189  1  0.130395  0.689681  0.476005  1
  P  P190  1  0.629165  0.191572  0.475780  1
  P  P191  1  0.629496  0.691747  0.475677  1
  P  P192  1  0.256548  0.301436  0.150211  1
  P  P193  1  0.256548  0.801436  0.150211  1
  P  P194  1  0.756548  0.301436  0.150211  1
  P  P195  1  0.756548  0.801436  0.150211  1
  P  P196  1  0.395424  0.191319  0.029027  1
  P  P197  1  0.395424  0.691319  0.029027  1
  P  P198  1  0.895424  0.191319  0.029027  1
  P  P199  1  0.895424  0.691319  0.029027  1
  P  P200  1  0.261381  0.042179  0.915397  1
  P  P201  1  0.261381  0.542179  0.915397  1
  P  P202  1  0.761381  0.042179  0.915397  1
  P  P203  1  0.761381  0.542179  0.915397  1
  P  P204  1  0.261257  0.432721  0.415166  1
  P  P205  1  0.261154  0.931955  0.415465  1
  P  P206  1  0.761357  0.432404  0.415564  1
  P  P207  1  0.761109  0.932756  0.415537  1
  P  P208  1  0.017384  0.424448  0.854885  1
  P  P209  1  0.017384  0.924448  0.854885  1
  P  P210  1  0.517384  0.424448  0.854885  1
  P  P211  1  0.517384  0.924448  0.854885  1
  P  P212  1  0.259066  0.180838  0.649418  1
  P  P213  1  0.254172  0.666287  0.649228  1
  P  P214  1  0.756285  0.171690  0.650146  1
  P  P215  1  0.756969  0.674359  0.650356  1
  P  P216  1  0.504103  0.316287  0.475835  1
  P  P217  1  0.504370  0.816550  0.475823  1
  P  P218  1  1.003870  0.315620  0.475409  1
  P  P219  1  1.004912  0.815266  0.475643  1
  P  P220  1  0.291398  0.465878  0.846898  1
  P  P221  1  0.291398  0.965878  0.846898  1
  P  P222  1  0.791398  0.465878  0.846898  1
  P  P223  1  0.791398  0.965878  0.846898  1
  P  P224  1  0.386471  0.165752  0.913761  1
  P  P225  1  0.386471  0.665752  0.913761  1
  P  P226  1  0.886471  0.165752  0.913761  1
  P  P227  1  0.886471  0.665752  0.913761  1
  P  P228  1  0.263525  0.432538  0.089153  1
  P  P229  1  0.263525  0.932538  0.089153  1
  P  P230  1  0.763525  0.432538  0.089153  1
  P  P231  1  0.763525  0.932538  0.089153  1
  P  P232  1  0.158909  0.206234  0.905424  1
  P  P233  1  0.158909  0.706234  0.905424  1
  P  P234  1  0.658909  0.206234  0.905424  1
  P  P235  1  0.658909  0.706234  0.905424  1
  P  P236  1  0.513635  0.183671  0.090496  1
  P  P237  1  0.513635  0.683671  0.090496  1
  P  P238  1  0.013635  0.183671  0.090496  1
  P  P239  1  0.013635  0.683671  0.090496  1
  P  P240  1  0.115663  0.017224  0.098548  1
  P  P241  1  0.115663  0.517224  0.098548  1
  P  P242  1  0.615663  0.017224  0.098548  1
  P  P243  1  0.615663  0.517224  0.098548  1
  P  P244  1  0.513381  0.291718  0.590679  1
  P  P245  1  0.513715  0.791484  0.590456  1
  P  P246  1  0.013830  0.290915  0.590406  1
  P  P247  1  0.013743  0.790374  0.590349  1
  P  P248  1  0.134219  0.302159  0.649511  1
  P  P249  1  0.134514  0.801610  0.649924  1
  P  P250  1  0.633850  0.301192  0.650418  1
  P  P251  1  0.633174  0.801506  0.650411  1
  P  P252  1  0.380506  0.441213  0.475522  1
  P  P253  1  0.379795  0.941053  0.476268  1
  P  P254  1  0.880049  0.440624  0.476221  1
  P  P255  1  0.879886  0.940508  0.475967  1
  P  P256  1  0.373205  0.400834  0.037369  1
  P  P257  1  0.373205  0.900834  0.037369  1
  P  P258  1  0.873205  0.400834  0.037369  1
  P  P259  1  0.873205  0.900834  0.037369  1
  P  P260  1  0.233507  0.008840  0.157651  1
  P  P261  1  0.233507  0.508840  0.157651  1
  P  P262  1  0.733507  0.008840  0.157651  1
  P  P263  1  0.733507  0.508840  0.157651  1
  P  P264  1  0.268357  0.173281  0.854338  1
  P  P265  1  0.268357  0.673281  0.854338  1
  P  P266  1  0.768357  0.173281  0.854338  1
  P  P267  1  0.768357  0.673281  0.854338  1
  P  P268  1  0.283800  0.331526  0.906044  1
  P  P269  1  0.283800  0.831526  0.906044  1
  P  P270  1  0.783800  0.331526  0.906044  1
  P  P271  1  0.783800  0.831526  0.906044  1
  P  P272  1  0.380012  0.033948  0.976007  1
  P  P273  1  0.380012  0.533948  0.976007  1
  P  P274  1  0.880012  0.033948  0.976007  1
  P  P275  1  0.880012  0.533948  0.976007  1
  P  P276  1  0.151403  0.399850  0.467083  1
  P  P277  1  0.151559  0.900343  0.467029  1
  P  P278  1  0.651620  0.400846  0.467327  1
  P  P279  1  0.651377  0.901339  0.467355  1
  P  P280  1  0.409243  0.457493  0.906001  1
  P  P281  1  0.409243  0.957493  0.906001  1
  P  P282  1  0.909243  0.457493  0.906001  1
  P  P283  1  0.909243  0.957493  0.906001  1
  P  P284  1  0.490230  0.081392  0.599251  1
  P  P285  1  0.490455  0.582366  0.598705  1
  P  P286  1  0.989803  0.081713  0.598734  1
  P  P287  1  0.990361  0.581283  0.599097  1
  P  P288  1  0.122581  0.151418  0.037497  1
  P  P289  1  0.122581  0.651418  0.037497  1
  P  P290  1  0.622581  0.151418  0.037497  1
  P  P291  1  0.622581  0.651418  0.037497  1
  P  P292  1  0.138435  0.308966  0.090788  1
  P  P293  1  0.138435  0.808966  0.090788  1
  P  P294  1  0.638435  0.308966  0.090788  1
  P  P295  1  0.638435  0.808966  0.090788  1
  P  P296  1  0.386319  0.309000  0.413713  1
  P  P297  1  0.386262  0.809222  0.413979  1
  P  P298  1  0.886123  0.308927  0.413653  1
  P  P299  1  0.886473  0.808533  0.414032  1
  P  P300  1  0.144575  0.034096  0.528042  1
  P  P301  1  0.147285  0.530126  0.528742  1
  P  P302  1  0.644267  0.034699  0.528759  1
  P  P303  1  0.644987  0.534155  0.528556  1
  P  P304  1  0.401502  0.153082  0.467426  1
  P  P305  1  0.402296  0.651222  0.467250  1
  P  P306  1  0.902077  0.150980  0.466936  1
  P  P307  1  0.902410  0.651034  0.467215  1
  P  P308  1  0.489913  0.393064  0.098895  1
  P  P309  1  0.489913  0.893064  0.098895  1
  P  P310  1  0.989913  0.393064  0.098895  1
  P  P311  1  0.989913  0.893064  0.098895  1
  P  P312  1  0.254506  0.066298  0.475701  1
  P  P313  1  0.255211  0.563551  0.477020  1
  P  P314  1  0.754416  0.066353  0.476281  1
  P  P315  1  0.754837  0.566208  0.476234  1
  P  P316  1  0.144893  0.440770  0.028542  1
  P  P317  1  0.144893  0.940770  0.028542  1
  P  P318  1  0.644893  0.440770  0.028542  1
  P  P319  1  0.644893  0.940770  0.028542  1
  P  P320  1  0.283430  0.143594  0.405894  1
  P  P321  1  0.283854  0.642952  0.406839  1
  P  P322  1  0.783538  0.143278  0.406221  1
  P  P323  1  0.783639  0.642963  0.406047  1
  P  P324  1  0.377048  0.043473  0.649781  1
  P  P325  1  0.382461  0.548466  0.650534  1
  P  P326  1  0.879799  0.044254  0.650012  1
  P  P327  1  0.878653  0.543853  0.650046  1
  P  P328  1  0.509887  0.426406  0.650233  1
  P  P329  1  0.506395  0.923863  0.649675  1
  P  P330  1  1.006808  0.423307  0.649530  1
  P  P331  1  1.008858  0.924763  0.649497  1
  P  P332  1  0.246885  0.198534  0.536219  1
  P  P333  1  0.248209  0.700050  0.537599  1
  P  P334  1  0.747835  0.199333  0.537559  1
  P  P335  1  0.747865  0.699216  0.537367  1
