# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.13234809
_cell_length_b   83.78704856
_cell_length_c   50.43439797
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.79530609
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P1008
_cell_volume   93274.0285793
_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  0.034839  0.950897  0.362768  1
  P  P2  1  0.487121  0.960574  0.291714  1
  P  P3  1  0.534839  0.450897  0.362768  1
  P  P4  1  0.987121  0.460574  0.291714  1
  P  P5  1  0.163488  0.966833  0.363823  1
  P  P6  1  0.618855  0.974390  0.292607  1
  P  P7  1  0.663488  0.466833  0.363823  1
  P  P8  1  0.118855  0.474390  0.292607  1
  P  P9  1  0.312270  0.651495  0.393424  1
  P  P10  1  0.738471  0.655342  0.330256  1
  P  P11  1  0.812270  0.151495  0.393424  1
  P  P12  1  0.238471  0.155342  0.330256  1
  P  P13  1  0.064574  0.738000  0.401022  1
  P  P14  1  0.493215  0.743160  0.328376  1
  P  P15  1  0.564574  0.238000  0.401022  1
  P  P16  1  0.993215  0.243160  0.328376  1
  P  P17  1  0.205904  0.746031  0.294816  1
  P  P18  1  0.776872  0.740195  0.365357  1
  P  P19  1  0.705904  0.246031  0.294816  1
  P  P20  1  0.276872  0.240195  0.365357  1
  P  P21  1  0.864486  0.962919  0.278781  1
  P  P22  1  0.411005  0.956374  0.348443  1
  P  P23  1  0.364486  0.462919  0.278781  1
  P  P24  1  0.911005  0.456374  0.348443  1
  P  P25  1  0.960392  0.776915  0.300550  1
  P  P26  1  0.544328  0.769915  0.370196  1
  P  P27  1  0.460392  0.276915  0.300550  1
  P  P28  1  0.044328  0.269915  0.370196  1
  P  P29  1  0.023909  0.654358  0.356698  1
  P  P30  1  0.488705  0.650159  0.349388  1
  P  P31  1  0.523909  0.154358  0.356698  1
  P  P32  1  0.988705  0.150159  0.349388  1
  P  P33  1  0.073593  0.775207  0.380677  1
  P  P34  1  0.507524  0.780879  0.311048  1
  P  P35  1  0.573593  0.275207  0.380677  1
  P  P36  1  1.007524  0.280879  0.311048  1
  P  P37  1  0.218409  0.773564  0.397715  1
  P  P38  1  0.655366  0.775709  0.323433  1
  P  P39  1  0.718409  0.273564  0.397715  1
  P  P40  1  0.155366  0.275709  0.323433  1
  P  P41  1  0.880660  0.748541  0.320504  1
  P  P42  1  0.454804  0.743196  0.392570  1
  P  P43  1  0.380660  0.248541  0.320504  1
  P  P44  1  0.954804  0.243196  0.392570  1
  P  P45  1  0.891758  0.521333  0.283338  1
  P  P46  1  0.437029  0.511463  0.351127  1
  P  P47  1  0.391758  0.021333  0.283338  1
  P  P48  1  0.937029  0.011463  0.351127  1
  P  P49  1  0.095471  0.916659  0.293702  1
  P  P50  1  0.634521  0.909013  0.360500  1
  P  P51  1  0.595471  0.416659  0.293702  1
  P  P52  1  0.134521  0.409013  0.360500  1
  P  P53  1  0.776209  0.544923  0.298556  1
  P  P54  1  0.328229  0.537075  0.368618  1
  P  P55  1  0.276209  0.044923  0.298556  1
  P  P56  1  0.828229  0.037075  0.368618  1
  P  P57  1  0.942660  0.908504  0.405975  1
  P  P58  1  0.386486  0.917457  0.331233  1
  P  P59  1  0.442660  0.408504  0.405975  1
  P  P60  1  0.886486  0.417457  0.331233  1
  P  P61  1  0.124954  0.801567  0.421295  1
  P  P62  1  0.581512  0.805064  0.350952  1
  P  P63  1  0.624954  0.301567  0.421295  1
  P  P64  1  0.081512  0.305064  0.350952  1
  P  P65  1  0.168062  0.746372  0.356982  1
  P  P66  1  0.595759  0.750360  0.285729  1
  P  P67  1  0.668062  0.246372  0.356982  1
  P  P68  1  0.095759  0.250360  0.285729  1
  P  P69  1  0.832044  0.680148  0.306278  1
  P  P70  1  0.396845  0.678720  0.372095  1
  P  P71  1  0.332044  0.180148  0.306278  1
  P  P72  1  0.896845  0.178720  0.372095  1
  P  P73  1  0.843180  0.968760  0.392719  1
  P  P74  1  0.239365  0.970769  0.306705  1
  P  P75  1  0.343180  0.468760  0.392719  1
  P  P76  1  0.739365  0.470769  0.306705  1
  P  P77  1  0.250919  0.488048  0.293351  1
  P  P78  1  0.795821  0.481367  0.364573  1
  P  P79  1  0.750919  0.988048  0.293351  1
  P  P80  1  0.295821  0.981367  0.364573  1
  P  P81  1  0.202816  0.938563  0.406039  1
  P  P82  1  0.655264  0.945258  0.334519  1
  P  P83  1  0.702816  0.438563  0.406039  1
  P  P84  1  0.155264  0.445258  0.334519  1
  P  P85  1  0.333995  0.952334  0.406392  1
  P  P86  1  0.787954  0.958790  0.335107  1
  P  P87  1  0.833995  0.452334  0.406392  1
  P  P88  1  0.287954  0.458790  0.335107  1
  P  P89  1  0.216870  0.679493  0.417224  1
  P  P90  1  0.643057  0.684798  0.348110  1
  P  P91  1  0.716870  0.179493  0.417224  1
  P  P92  1  0.143057  0.184798  0.348110  1
  P  P93  1  0.109552  0.774840  0.316806  1
  P  P94  1  0.682336  0.769927  0.388273  1
  P  P95  1  0.609552  0.274840  0.316806  1
  P  P96  1  0.182336  0.269927  0.388273  1
  P  P97  1  0.166804  0.652876  0.377115  1
  P  P98  1  0.598156  0.657315  0.309067  1
  P  P99  1  0.666804  0.152876  0.377115  1
  P  P100  1  0.098156  0.157315  0.309067  1
  P  P101  1  0.215963  0.691017  0.293980  1
  P  P102  1  0.786137  0.684345  0.366491  1
  P  P103  1  0.715963  0.191017  0.293980  1
  P  P104  1  0.286137  0.184345  0.366491  1
  P  P105  1  1.003244  0.541596  0.398995  1
  P  P106  1  0.402579  0.540736  0.312632  1
  P  P107  1  0.503244  0.041596  0.398995  1
  P  P108  1  0.902579  0.040736  0.312632  1
  P  P109  1  0.876100  0.653690  0.354492  1
  P  P110  1  0.454827  0.649533  0.411905  1
  P  P111  1  0.376100  0.153690  0.354492  1
  P  P112  1  0.954827  0.149533  0.411905  1
  P  P113  1  1.003975  0.499574  0.308889  1
  P  P114  1  0.603681  0.499390  0.394104  1
  P  P115  1  0.503975  0.999574  0.308889  1
  P  P116  1  0.103681  0.999390  0.394104  1
  P  P117  1  0.023575  0.535948  0.286840  1
  P  P118  1  0.563694  0.527635  0.351600  1
  P  P119  1  0.523575  0.035948  0.286840  1
  P  P120  1  0.063694  0.027635  0.351600  1
  P  P121  1  0.920578  0.739521  0.383143  1
  P  P122  1  0.349769  0.743925  0.310766  1
  P  P123  1  0.420578  0.239521  0.383143  1
  P  P124  1  0.849769  0.243925  0.310766  1
  P  P125  1  0.302618  0.707431  0.395520  1
  P  P126  1  0.732419  0.711364  0.324802  1
  P  P127  1  0.802618  0.207431  0.395520  1
  P  P128  1  0.232419  0.211364  0.324802  1
  P  P129  1  0.156151  0.549414  0.290893  1
  P  P130  1  0.695161  0.541618  0.352391  1
  P  P131  1  0.656151  0.049414  0.290893  1
  P  P132  1  0.195161  0.041618  0.352391  1
  P  P133  1  0.279694  0.942989  0.349107  1
  P  P134  1  0.732135  0.948998  0.278176  1
  P  P135  1  0.779694  0.442989  0.349107  1
  P  P136  1  0.232135  0.448998  0.278176  1
  P  P137  1  0.808606  0.779765  0.287205  1
  P  P138  1  0.398926  0.771438  0.352328  1
  P  P139  1  0.308606  0.279765  0.287205  1
  P  P140  1  0.898926  0.271438  0.352328  1
  P  P141  1  0.930925  0.776474  0.363532  1
  P  P142  1  0.366709  0.779819  0.292564  1
  P  P143  1  0.430925  0.276474  0.363532  1
  P  P144  1  0.866709  0.279819  0.292564  1
  P  P145  1  0.113116  0.681694  0.336367  1
  P  P146  1  0.682988  0.674518  0.408757  1
  P  P147  1  0.613116  0.181694  0.336367  1
  P  P148  1  0.182988  0.174518  0.408757  1
  P  P149  1  0.742924  0.746824  0.301412  1
  P  P150  1  0.311568  0.744737  0.374468  1
  P  P151  1  0.242924  0.246824  0.301412  1
  P  P152  1  0.811568  0.244737  0.374468  1
  P  P153  1  0.760005  0.506913  0.281303  1
  P  P154  1  0.305714  0.497891  0.350713  1
  P  P155  1  0.260005  0.006913  0.281303  1
  P  P156  1  0.805714  0.997891  0.350713  1
  P  P157  1  0.229468  0.930373  0.294393  1
  P  P158  1  0.768772  0.922655  0.361568  1
  P  P159  1  0.729468  0.430373  0.294393  1
  P  P160  1  0.268772  0.422655  0.361568  1
  P  P161  1  0.017523  0.710947  0.360188  1
  P  P162  1  0.448119  0.715615  0.289412  1
  P  P163  1  0.517523  0.210947  0.360188  1
  P  P164  1  0.948119  0.215615  0.289412  1
  P  P165  1  0.997224  0.977012  0.279399  1
  P  P166  1  0.541962  0.970395  0.349424  1
  P  P167  1  0.497224  0.477012  0.279399  1
  P  P168  1  0.041962  0.470395  0.349424  1
  P  P169  1  0.941173  0.649845  0.300249  1
  P  P170  1  0.628161  0.647306  0.370164  1
  P  P171  1  0.441173  0.149845  0.300249  1
  P  P172  1  0.128161  0.147306  0.370164  1
  P  P173  1  0.254831  0.679844  0.354010  1
  P  P174  1  0.690039  0.683038  0.287561  1
  P  P175  1  0.754831  0.179844  0.354010  1
  P  P176  1  0.190039  0.183038  0.287561  1
  P  P177  1  0.096871  0.480202  0.407190  1
  P  P178  1  0.552079  0.487524  0.335851  1
  P  P179  1  0.596871  0.980202  0.407190  1
  P  P180  1  0.052079  0.987524  0.335851  1
  P  P181  1  0.944970  0.531959  0.340774  1
  P  P182  1  0.486363  0.524181  0.408119  1
  P  P183  1  0.444970  0.031959  0.340774  1
  P  P184  1  0.986363  0.024181  0.408119  1
  P  P185  1  0.111071  0.954877  0.306307  1
  P  P186  1  0.710590  0.954699  0.392098  1
  P  P187  1  0.611071  0.454877  0.306307  1
  P  P188  1  0.210590  0.454699  0.392098  1
  P  P189  1  0.119713  0.718912  0.315921  1
  P  P190  1  0.691727  0.712565  0.388255  1
  P  P191  1  0.619713  0.218912  0.315921  1
  P  P192  1  0.191727  0.212565  0.388255  1
  P  P193  1  0.079560  0.545705  0.343714  1
  P  P194  1  0.620641  0.537850  0.409644  1
  P  P195  1  0.579560  0.045705  0.343714  1
  P  P196  1  0.120641  0.037850  0.409644  1
  P  P197  1  0.871856  0.485284  0.307627  1
  P  P198  1  0.475325  0.483279  0.393213  1
  P  P199  1  0.371856  0.985284  0.307627  1
  P  P200  1  0.975325  0.983279  0.393213  1
  P  P201  1  0.977489  0.940923  0.305164  1
  P  P202  1  0.577495  0.940738  0.391052  1
  P  P203  1  0.477489  0.440923  0.305164  1
  P  P204  1  0.077495  0.440738  0.391052  1
  P  P205  1  0.073771  0.681496  0.399149  1
  P  P206  1  0.501958  0.686496  0.327869  1
  P  P207  1  0.573771  0.181496  0.399149  1
  P  P208  1  1.001958  0.186496  0.327869  1
  P  P209  1  0.311052  0.913110  0.388333  1
  P  P210  1  0.708651  0.913738  0.304637  1
  P  P211  1  0.811052  0.413110  0.388333  1
  P  P212  1  0.208651  0.413738  0.304637  1
  P  P213  1  0.016499  0.802860  0.339961  1
  P  P214  1  0.589015  0.798137  0.413657  1
  P  P215  1  0.516499  0.302860  0.339961  1
  P  P216  1  0.089015  0.298137  0.413657  1
  P  P217  1  0.835897  0.711634  0.406283  1
  P  P218  1  0.263485  0.717286  0.333681  1
  P  P219  1  0.335897  0.211634  0.406283  1
  P  P220  1  0.763485  0.217286  0.333681  1
  P  P221  1  0.962397  0.903578  0.292432  1
  P  P222  1  0.499671  0.896311  0.358365  1
  P  P223  1  0.462397  0.403578  0.292432  1
  P  P224  1  0.999671  0.396311  0.358365  1
  P  P225  1  0.901938  0.936631  0.362291  1
  P  P226  1  0.354892  0.947129  0.290903  1
  P  P227  1  0.401938  0.436631  0.362291  1
  P  P228  1  0.854892  0.447129  0.290903  1
  P  P229  1  0.060640  0.509841  0.366563  1
  P  P230  1  0.513860  0.516381  0.293894  1
  P  P231  1  0.560640  0.009841  0.366563  1
  P  P232  1  0.013860  0.016381  0.293894  1
  P  P233  1  0.153138  0.926323  0.349635  1
  P  P234  1  0.599233  0.935660  0.277035  1
  P  P235  1  0.653138  0.426323  0.349635  1
  P  P236  1  0.099233  0.435660  0.277035  1
  P  P237  1  0.813737  0.517111  0.339189  1
  P  P238  1  0.360464  0.507515  0.408199  1
  P  P239  1  0.313737  0.017111  0.339189  1
  P  P240  1  0.860464  0.007515  0.408199  1
  P  P241  1  0.194717  0.523730  0.367259  1
  P  P242  1  0.644976  0.530818  0.294697  1
  P  P243  1  0.694717  0.023730  0.367259  1
  P  P244  1  0.144976  0.030818  0.294697  1
  P  P245  1  0.826423  0.767722  0.407956  1
  P  P246  1  0.255260  0.773403  0.333420  1
  P  P247  1  0.326423  0.267722  0.407956  1
  P  P248  1  0.755260  0.273403  0.333420  1
  P  P249  1  0.160354  0.801528  0.357729  1
  P  P250  1  0.600604  0.804713  0.287192  1
  P  P251  1  0.660354  0.301528  0.357729  1
  P  P252  1  0.100604  0.304713  0.287192  1
  P  P253  1  0.838859  0.716907  0.282428  1
  P  P254  1  0.406894  0.715731  0.351479  1
  P  P255  1  0.338859  0.216907  0.282428  1
  P  P256  1  0.906894  0.215731  0.351479  1
  P  P257  1  0.928135  0.495728  0.365480  1
  P  P258  1  0.382851  0.501965  0.293637  1
  P  P259  1  0.428135  0.995728  0.365480  1
  P  P260  1  0.882851  1.001965  0.293637  1
  P  P261  1  0.138769  0.554555  0.400347  1
  P  P262  1  0.532213  0.554710  0.308698  1
  P  P263  1  0.638769  0.054555  0.400347  1
  P  P264  1  0.032213  0.054710  0.308698  1
  P  P265  1  0.017688  0.912446  0.348605  1
  P  P266  1  0.466179  0.922178  0.277301  1
  P  P267  1  0.517688  0.412446  0.348605  1
  P  P268  1  0.966179  0.422178  0.277301  1
  P  P269  1  0.074677  0.922667  0.405449  1
  P  P270  1  0.523081  0.930937  0.332924  1
  P  P271  1  0.574677  0.422667  0.405449  1
  P  P272  1  0.023081  0.430937  0.332924  1
  P  P273  1  0.920339  0.972791  0.335607  1
  P  P274  1  0.465036  0.966396  0.406446  1
  P  P275  1  0.420339  0.472791  0.335607  1
  P  P276  1  0.965036  0.466396  0.406446  1
  P  P277  1  0.160503  0.708956  0.377480  1
  P  P278  1  0.591025  0.713254  0.305762  1
  P  P279  1  0.660503  0.208956  0.377480  1
  P  P280  1  0.091025  0.213254  0.305762  1
  P  P281  1  0.843863  0.926797  0.305115  1
  P  P282  1  0.443641  0.927066  0.389479  1
  P  P283  1  0.343863  0.426797  0.305115  1
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  P  P921  1  0.453978  0.781043  0.630092  1
  P  P922  1  0.875251  0.785201  0.572679  1
  P  P923  1  0.953978  0.281043  0.630092  1
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