# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.66325031
_cell_length_b   83.02459418
_cell_length_c   51.50660199
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.47850660
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P1008
_cell_volume   79806.6263589
_cell_formula_units_Z   1008
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  0.828906  0.023714  0.292255  1
  P  P2  1  0.473441  0.024115  0.377346  1
  P  P3  1  0.328906  0.523714  0.292255  1
  P  P4  1  0.973441  0.524115  0.377346  1
  P  P5  1  0.972643  0.018887  0.329322  1
  P  P6  1  0.618071  0.019562  0.414608  1
  P  P7  1  0.472643  0.518887  0.329322  1
  P  P8  1  0.118071  0.519562  0.414608  1
  P  P9  1  0.763390  0.331323  0.360068  1
  P  P10  1  0.102927  0.334173  0.298891  1
  P  P11  1  0.263390  0.831323  0.360068  1
  P  P12  1  0.602927  0.834173  0.298891  1
  P  P13  1  0.191875  0.242982  0.395567  1
  P  P14  1  0.534682  0.243357  0.311342  1
  P  P15  1  0.691875  0.742982  0.395567  1
  P  P16  1  0.034682  0.743357  0.311342  1
  P  P17  1  0.862051  0.242873  0.354297  1
  P  P18  1  0.205600  0.240560  0.272701  1
  P  P19  1  0.362051  0.742873  0.354297  1
  P  P20  1  0.705600  0.740560  0.272701  1
  P  P21  1  0.134403  0.024589  0.398479  1
  P  P22  1  0.490711  0.023844  0.313235  1
  P  P23  1  0.634403  0.524589  0.398479  1
  P  P24  1  0.990711  0.523844  0.313235  1
  P  P25  1  0.639284  0.212292  0.297772  1
  P  P26  1  0.297112  0.212365  0.380398  1
  P  P27  1  0.139284  0.712292  0.297772  1
  P  P28  1  0.797112  0.712365  0.380398  1
  P  P29  1  0.087645  0.331797  0.402095  1
  P  P30  1  0.437144  0.330425  0.315811  1
  P  P31  1  0.587645  0.831797  0.402095  1
  P  P32  1  0.937144  0.830425  0.315811  1
  P  P33  1  0.846874  0.206367  0.261656  1
  P  P34  1  0.506089  0.208854  0.341006  1
  P  P35  1  0.346874  0.706367  0.261656  1
  P  P36  1  0.006089  0.708854  0.341006  1
  P  P37  1  0.013360  0.205952  0.281120  1
  P  P38  1  0.669607  0.208102  0.361721  1
  P  P39  1  0.513360  0.705952  0.281120  1
  P  P40  1  0.169607  0.708102  0.361721  1
  P  P41  1  0.896408  0.238678  0.417268  1
  P  P42  1  0.238901  0.238212  0.334413  1
  P  P43  1  0.396408  0.738678  0.417268  1
  P  P44  1  0.738901  0.738212  0.334413  1
  P  P45  1  0.829376  0.463217  0.373248  1
  P  P46  1  0.187880  0.463570  0.289406  1
  P  P47  1  0.329376  0.963217  0.373248  1
  P  P48  1  0.687880  0.963570  0.289406  1
  P  P49  1  0.774849  0.079040  0.354335  1
  P  P50  1  0.130756  0.075557  0.269036  1
  P  P51  1  0.274849  0.579040  0.354335  1
  P  P52  1  0.630756  0.575557  0.269036  1
  P  P53  1  0.759823  0.433925  0.339139  1
  P  P54  1  0.122131  0.436827  0.254585  1
  P  P55  1  0.259823  0.933925  0.339139  1
  P  P56  1  0.622131  0.936827  0.254585  1
  P  P57  1  0.104279  0.079569  0.396223  1
  P  P58  1  0.459093  0.078333  0.311815  1
  P  P59  1  0.604279  0.579569  0.396223  1
  P  P60  1  0.959093  0.578333  0.311815  1
  P  P61  1  0.280623  0.178102  0.409765  1
  P  P62  1  0.764943  0.176904  0.348461  1
  P  P63  1  0.780623  0.678102  0.409765  1
  P  P64  1  0.264943  0.676904  0.348461  1
  P  P65  1  0.911706  0.237500  0.293606  1
  P  P66  1  0.566376  0.239275  0.376070  1
  P  P67  1  0.411706  0.737500  0.293606  1
  P  P68  1  0.066376  0.739275  0.376070  1
  P  P69  1  0.819278  0.305251  0.403409  1
  P  P70  1  0.165046  0.302099  0.322915  1
  P  P71  1  0.319278  0.805251  0.403409  1
  P  P72  1  0.665046  0.802099  0.322915  1
  P  P73  1  0.957242  0.019513  0.393424  1
  P  P74  1  0.313029  0.018838  0.307438  1
  P  P75  1  0.457242  0.519513  0.393424  1
  P  P76  1  0.813029  0.518838  0.307438  1
  P  P77  1  0.927000  0.493353  0.279677  1
  P  P78  1  0.570501  0.493960  0.364581  1
  P  P79  1  0.427000  0.993353  0.279677  1
  P  P80  1  0.070501  0.993960  0.364581  1
  P  P81  1  0.051096  0.048448  0.299204  1
  P  P82  1  0.697951  0.049714  0.384539  1
  P  P83  1  0.551096  0.548448  0.299204  1
  P  P84  1  0.197951  0.549714  0.384539  1
  P  P85  1  0.151255  0.024225  0.334423  1
  P  P86  1  0.795109  0.024482  0.420122  1
  P  P87  1  0.651255  0.524225  0.334423  1
  P  P88  1  0.295109  0.524482  0.420122  1
  P  P89  1  0.704007  0.299952  0.322215  1
  P  P90  1  0.360063  0.300949  0.405012  1
  P  P91  1  0.204007  0.799952  0.322215  1
  P  P92  1  0.860063  0.800949  0.405012  1
  P  P93  1  0.800043  0.212038  0.320281  1
  P  P94  1  0.459221  0.211934  0.401602  1
  P  P95  1  0.300043  0.712038  0.320281  1
  P  P96  1  0.959221  0.711934  0.401602  1
  P  P97  1  0.257182  0.331396  0.416487  1
  P  P98  1  0.603736  0.330661  0.334680  1
  P  P99  1  0.757182  0.831396  0.416487  1
  P  P100  1  0.103736  0.830661  0.334680  1
  P  P101  1  0.868375  0.301431  0.341419  1
  P  P102  1  0.192812  0.303341  0.264471  1
  P  P103  1  0.368375  0.801431  0.341419  1
  P  P104  1  0.692812  0.803341  0.264471  1
  P  P105  1  0.109222  0.433757  0.318075  1
  P  P106  1  0.750107  0.433670  0.403240  1
  P  P107  1  0.609222  0.933757  0.318075  1
  P  P108  1  0.250107  0.933670  0.403240  1
  P  P109  1  0.928433  0.331398  0.378426  1
  P  P110  1  0.271496  0.331266  0.297571  1
  P  P111  1  0.428433  0.831398  0.378426  1
  P  P112  1  0.771496  0.831266  0.297571  1
  P  P113  1  0.054014  0.488618  0.380960  1
  P  P114  1  0.409530  0.488254  0.295437  1
  P  P115  1  0.554014  0.988618  0.380960  1
  P  P116  1  0.909530  0.988254  0.295437  1
  P  P117  1  0.973711  0.458393  0.410327  1
  P  P118  1  0.329606  0.458166  0.326444  1
  P  P119  1  0.473711  0.958393  0.410327  1
  P  P120  1  0.829606  0.958166  0.326444  1
  P  P121  1  0.026084  0.242571  0.375083  1
  P  P122  1  0.370834  0.241936  0.291773  1
  P  P123  1  0.526084  0.742571  0.375083  1
  P  P124  1  0.870834  0.741936  0.291773  1
  P  P125  1  0.759106  0.274420  0.368370  1
  P  P126  1  0.103285  0.271809  0.285154  1
  P  P127  1  0.259106  0.774420  0.368370  1
  P  P128  1  0.603285  0.771809  0.285154  1
  P  P129  1  0.603316  0.428114  0.277452  1
  P  P130  1  0.423685  0.433012  0.362041  1
  P  P131  1  0.103316  0.928114  0.277452  1
  P  P132  1  0.923685  0.933012  0.362041  1
  P  P133  1  0.037041  0.049589  0.363090  1
  P  P134  1  0.395762  0.048607  0.278735  1
  P  P135  1  0.537041  0.549589  0.363090  1
  P  P136  1  0.895762  0.548607  0.278735  1
  P  P137  1  0.130737  0.211856  0.361001  1
  P  P138  1  0.475127  0.211206  0.279762  1
  P  P139  1  0.630737  0.711856  0.361001  1
  P  P140  1  0.975127  0.711206  0.279762  1
  P  P141  1  0.000803  0.207137  0.403485  1
  P  P142  1  0.342305  0.207207  0.319867  1
  P  P143  1  0.500803  0.707137  0.403485  1
  P  P144  1  0.842305  0.707207  0.319867  1
  P  P145  1  0.835375  0.302629  0.279042  1
  P  P146  1  0.490647  0.305677  0.361967  1
  P  P147  1  0.335375  0.802629  0.279042  1
  P  P148  1  0.990647  0.805677  0.361967  1
  P  P149  1  0.074207  0.237453  0.314114  1
  P  P150  1  0.731962  0.238819  0.396681  1
  P  P151  1  0.574207  0.737453  0.314114  1
  P  P152  1  0.231962  0.738819  0.396681  1
  P  P153  1  0.732541  0.488784  0.338058  1
  P  P154  1  0.089416  0.486883  0.254210  1
  P  P155  1  0.232541  0.988784  0.338058  1
  P  P156  1  0.589416  0.986883  0.254210  1
  P  P157  1  0.875528  0.054919  0.389923  1
  P  P158  1  0.233270  0.054116  0.304307  1
  P  P159  1  0.375528  0.554919  0.389923  1
  P  P160  1  0.733270  0.554116  0.304307  1
  P  P161  1  0.086856  0.273908  0.409912  1
  P  P162  1  0.428542  0.274447  0.327245  1
  P  P163  1  0.586856  0.773908  0.409912  1
  P  P164  1  0.928542  0.774447  0.327245  1
  P  P165  1  0.988798  0.018581  0.265750  1
  P  P166  1  0.634486  0.018766  0.350709  1
  P  P167  1  0.488798  0.518581  0.265750  1
  P  P168  1  0.134486  0.518766  0.350709  1
  P  P169  1  0.750916  0.333834  0.299208  1
  P  P170  1  0.198977  0.334550  0.354633  1
  P  P171  1  0.250916  0.833834  0.299208  1
  P  P172  1  0.698977  0.834550  0.354633  1
  P  P173  1  0.003033  0.302986  0.297943  1
  P  P174  1  0.653302  0.305305  0.382780  1
  P  P175  1  0.503033  0.802986  0.297943  1
  P  P176  1  0.153302  0.805305  0.382780  1
  P  P177  1  0.892891  0.493957  0.407261  1
  P  P178  1  0.249196  0.493854  0.322527  1
  P  P179  1  0.392891  0.993957  0.407261  1
  P  P180  1  0.749196  0.993854  0.322527  1
  P  P181  1  0.990263  0.457848  0.346780  1
  P  P182  1  0.346895  0.457893  0.263774  1
  P  P183  1  0.490263  0.957848  0.346780  1
  P  P184  1  0.846895  0.957893  0.263774  1
  P  P185  1  0.812359  0.024218  0.356602  1
  P  P186  1  0.165623  0.024179  0.271343  1
  P  P187  1  0.312359  0.524218  0.356602  1
  P  P188  1  0.665623  0.524179  0.271343  1
  P  P189  1  0.807964  0.268898  0.308044  1
  P  P190  1  0.463109  0.270389  0.390295  1
  P  P191  1  0.307964  0.768898  0.308044  1
  P  P192  1  0.963109  0.770389  0.390295  1
  P  P193  1  0.089283  0.433505  0.382212  1
  P  P194  1  0.443780  0.432992  0.299055  1
  P  P195  1  0.589283  0.933505  0.382212  1
  P  P196  1  0.943780  0.932992  0.299055  1
  P  P197  1  0.909666  0.493473  0.343117  1
  P  P198  1  0.264798  0.493128  0.259028  1
  P  P199  1  0.409666  0.993473  0.343117  1
  P  P200  1  0.764798  0.993128  0.259028  1
  P  P201  1  0.714240  0.048347  0.320565  1
  P  P202  1  0.360481  0.049490  0.405507  1
  P  P203  1  0.214240  0.548347  0.320565  1
  P  P204  1  0.860481  0.549490  0.405507  1
  P  P205  1  0.193217  0.300499  0.385732  1
  P  P206  1  0.538079  0.300168  0.300938  1
  P  P207  1  0.693217  0.800499  0.385732  1
  P  P208  1  0.038079  0.800168  0.300938  1
  P  P209  1  0.117845  0.078288  0.331927  1
  P  P210  1  0.763162  0.079469  0.418470  1
  P  P211  1  0.617845  0.578288  0.331927  1
  P  P212  1  0.263162  0.579469  0.418470  1
  P  P213  1  0.737812  0.180782  0.286891  1
  P  P214  1  0.402391  0.181540  0.364482  1
  P  P215  1  0.237812  0.680782  0.286891  1
  P  P216  1  0.902391  0.681540  0.364482  1
  P  P217  1  0.971536  0.269447  0.328209  1
  P  P218  1  0.628189  0.270146  0.410928  1
  P  P219  1  0.471536  0.769447  0.328209  1
  P  P220  1  0.128189  0.770146  0.410928  1
  P  P221  1  0.279106  0.084277  0.402013  1
  P  P222  1  0.632626  0.083444  0.318364  1
  P  P223  1  0.779106  0.584277  0.402013  1
  P  P224  1  0.132626  0.583444  0.318364  1
  P  P225  1  0.731720  0.047988  0.257468  1
  P  P226  1  0.376440  0.049312  0.341593  1
  P  P227  1  0.231720  0.547988  0.257468  1
  P  P228  1  0.876440  0.549312  0.341593  1
  P  P229  1  0.167493  0.463634  0.352868  1
  P  P230  1  0.521627  0.462433  0.268377  1
  P  P231  1  0.667493  0.963634  0.352868  1
  P  P232  1  0.021627  0.962433  0.268377  1
  P  P233  1  0.891197  0.054531  0.326461  1
  P  P234  1  0.536595  0.055074  0.411452  1
  P  P235  1  0.391197  0.554531  0.326461  1
  P  P236  1  0.036595  0.555074  0.411452  1
  P  P237  1  0.845040  0.463361  0.309345  1
  P  P238  1  0.490674  0.463072  0.394705  1
  P  P239  1  0.345040  0.963361  0.309345  1
  P  P240  1  0.990674  0.963072  0.394705  1
  P  P241  1  0.667211  0.458829  0.305021  1
  P  P242  1  0.312588  0.458475  0.390318  1
  P  P243  1  0.167211  0.958829  0.305021  1
  P  P244  1  0.812588  0.958475  0.390318  1
  P  P245  1  0.964945  0.211630  0.340701  1
  P  P246  1  0.622881  0.212590  0.422380  1
  P  P247  1  0.464945  0.711630  0.340701  1
  P  P248  1  0.122881  0.712590  0.422380  1
  P  P249  1  0.901375  0.181043  0.307925  1
  P  P250  1  0.564928  0.181671  0.386220  1
  P  P251  1  0.401375  0.681043  0.307925  1
  P  P252  1  0.064928  0.681671  0.386220  1
  P  P253  1  0.133553  0.268537  0.349307  1
  P  P254  1  0.474062  0.269773  0.268027  1
  P  P255  1  0.633553  0.768537  0.349307  1
  P  P256  1  0.974062  0.769773  0.268027  1
  P  P257  1  0.070702  0.488270  0.317076  1
  P  P258  1  0.715771  0.489143  0.402043  1
  P  P259  1  0.570702  0.988270  0.317076  1
  P  P260  1  0.215771  0.989143  0.402043  1
  P  P261  1  0.585712  0.428787  0.338701  1
  P  P262  1  0.248403  0.428846  0.356379  1
  P  P263  1  0.085712  0.928787  0.338701  1
  P  P264  1  0.748403  0.928846  0.356379  1
  P  P265  1  0.788405  0.077941  0.290735  1
  P  P266  1  0.437770  0.079356  0.375331  1
  P  P267  1  0.288405  0.577941  0.290735  1
  P  P268  1  0.937770  0.579356  0.375331  1
  P  P269  1  0.905650  0.053683  0.263933  1
  P  P270  1  0.553230  0.054198  0.347883  1
  P  P271  1  0.405650  0.553683  0.263933  1
  P  P272  1  0.053230  0.554198  0.347883  1
  P  P273  1  0.650330  0.017972  0.286071  1
  P  P274  1  0.296258  0.019160  0.371545  1
  P  P275  1  0.150330  0.517972  0.286071  1
  P  P276  1  0.796258  0.519160  0.371545  1
  P  P277  1  0.937469  0.272053  0.265886  1
  P  P278  1  0.593223  0.274331  0.347345  1
  P  P279  1  0.437469  0.772053  0.265886  1
  P  P280  1  0.093223  0.774331  0.347345  1
  P  P281  1  0.215670  0.054577  0.368156  1
  P  P282  1  0.571825  0.053731  0.283800  1
  P  P283  1  0.715670  0.554577  0.368156  1
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