# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   33.29749370
_cell_length_b   94.81661326
_cell_length_c   46.88746516
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.00394524
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P312
_cell_volume   147468.607692
_cell_formula_units_Z   312
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  0.618322  0.514508  0.306141  1
  P  P2  1  0.118322  0.514508  0.306141  1
  P  P3  1  0.451655  0.514508  0.306141  1
  P  P4  1  0.951655  0.514508  0.306141  1
  P  P5  1  0.676127  0.013854  0.296219  1
  P  P6  1  0.176127  0.013854  0.296219  1
  P  P7  1  0.284989  0.514508  0.306141  1
  P  P8  1  0.784989  0.514508  0.306141  1
  P  P9  1  0.509460  0.013854  0.296219  1
  P  P10  1  0.009460  0.013854  0.296219  1
  P  P11  1  0.342794  0.013854  0.296219  1
  P  P12  1  0.842794  0.013854  0.296219  1
  P  P13  1  0.594829  0.999643  0.322094  1
  P  P14  1  0.094829  0.999643  0.322094  1
  P  P15  1  0.428163  0.999643  0.322094  1
  P  P16  1  0.928163  0.999643  0.322094  1
  P  P17  1  0.647129  0.486640  0.270994  1
  P  P18  1  0.147129  0.486640  0.270994  1
  P  P19  1  0.261496  0.999643  0.322094  1
  P  P20  1  0.761496  0.999643  0.322094  1
  P  P21  1  0.480462  0.486640  0.270994  1
  P  P22  1  0.980462  0.486640  0.270994  1
  P  P23  1  0.313796  0.486640  0.270994  1
  P  P24  1  0.813796  0.486640  0.270994  1
  P  P25  1  0.533929  0.515056  0.341914  1
  P  P26  1  0.033929  0.515056  0.341914  1
  P  P27  1  0.367262  0.515056  0.341914  1
  P  P28  1  0.867262  0.515056  0.341914  1
  P  P29  1  0.580695  0.030259  0.340883  1
  P  P30  1  0.080695  0.030259  0.340883  1
  P  P31  1  0.200595  0.515056  0.341914  1
  P  P32  1  0.700595  0.515056  0.341914  1
  P  P33  1  0.414028  0.030259  0.340883  1
  P  P34  1  0.914028  0.030259  0.340883  1
  P  P35  1  0.247361  0.030259  0.340883  1
  P  P36  1  0.747361  0.030259  0.340883  1
  P  P37  1  0.515319  0.982817  0.330861  1
  P  P38  1  0.015319  0.982817  0.330861  1
  P  P39  1  0.348652  0.982817  0.330861  1
  P  P40  1  0.848652  0.982817  0.330861  1
  P  P41  1  0.563223  0.487692  0.304688  1
  P  P42  1  0.063223  0.487692  0.304688  1
  P  P43  1  0.181986  0.982817  0.330861  1
  P  P44  1  0.681986  0.982817  0.330861  1
  P  P45  1  0.396557  0.487692  0.304688  1
  P  P46  1  0.896557  0.487692  0.304688  1
  P  P47  1  0.229890  0.487692  0.304688  1
  P  P48  1  0.729890  0.487692  0.304688  1
  P  P49  1  0.450625  0.514447  0.377220  1
  P  P50  1  0.950625  0.514447  0.377220  1
  P  P51  1  0.283958  0.514447  0.377220  1
  P  P52  1  0.783958  0.514447  0.377220  1
  P  P53  1  0.502888  0.013847  0.360833  1
  P  P54  1  1.002888  0.013847  0.360833  1
  P  P55  1  0.117291  0.514447  0.377220  1
  P  P56  1  0.617291  0.514447  0.377220  1
  P  P57  1  0.336221  0.013847  0.360833  1
  P  P58  1  0.836221  0.013847  0.360833  1
  P  P59  1  0.169554  0.013847  0.360833  1
  P  P60  1  0.669554  0.013847  0.360833  1
  P  P61  1  0.432939  0.973861  0.366236  1
  P  P62  1  0.932939  0.973861  0.366236  1
  P  P63  1  0.266273  0.973861  0.366236  1
  P  P64  1  0.766273  0.973861  0.366236  1
  P  P65  1  0.480811  0.486111  0.340750  1
  P  P66  1  0.980811  0.486111  0.340750  1
  P  P67  1  0.099606  0.973861  0.366236  1
  P  P68  1  0.599606  0.973861  0.366236  1
  P  P69  1  0.314144  0.486111  0.340750  1
  P  P70  1  0.814144  0.486111  0.340750  1
  P  P71  1  0.147477  0.486111  0.340750  1
  P  P72  1  0.647477  0.486111  0.340750  1
  P  P73  1  0.367160  0.514294  0.413246  1
  P  P74  1  0.867160  0.514294  0.413246  1
  P  P75  1  0.200494  0.514294  0.413246  1
  P  P76  1  0.700494  0.514294  0.413246  1
  P  P77  1  0.422140  1.005467  0.393196  1
  P  P78  1  0.922140  1.005467  0.393196  1
  P  P79  1  0.033827  0.514294  0.413246  1
  P  P80  1  0.533827  0.514294  0.413246  1
  P  P81  1  0.255473  1.005467  0.393196  1
  P  P82  1  0.755473  1.005467  0.393196  1
  P  P83  1  0.088806  1.005467  0.393196  1
  P  P84  1  0.588806  1.005467  0.393196  1
  P  P85  1  0.345483  0.984637  0.399318  1
  P  P86  1  0.845483  0.984637  0.399318  1
  P  P87  1  0.178816  0.984637  0.399318  1
  P  P88  1  0.678816  0.984637  0.399318  1
  P  P89  1  0.397588  0.486242  0.376307  1
  P  P90  1  0.897588  0.486242  0.376307  1
  P  P91  1  0.012149  0.984637  0.399318  1
  P  P92  1  0.512149  0.984637  0.399318  1
  P  P93  1  0.230921  0.486242  0.376307  1
  P  P94  1  0.730921  0.486242  0.376307  1
  P  P95  1  0.064254  0.486242  0.376307  1
  P  P96  1  0.564254  0.486242  0.376307  1
  P  P97  1  0.283848  0.513955  0.448973  1
  P  P98  1  0.783848  0.513955  0.448973  1
  P  P99  1  0.117182  0.513955  0.448973  1
  P  P100  1  0.617182  0.513955  0.448973  1
  P  P101  1  0.336509  0.015257  0.429658  1
  P  P102  1  0.836509  0.015257  0.429658  1
  P  P103  1  0.950515  0.513955  0.448973  1
  P  P104  1  0.450515  0.513955  0.448973  1
  P  P105  1  0.169843  0.015257  0.429658  1
  P  P106  1  0.669843  0.015257  0.429658  1
  P  P107  1  1.003176  0.015257  0.429658  1
  P  P108  1  0.503176  0.015257  0.429658  1
  P  P109  1  0.263705  0.977845  0.435241  1
  P  P110  1  0.763705  0.977845  0.435241  1
  P  P111  1  0.097038  0.977845  0.435241  1
  P  P112  1  0.597038  0.977845  0.435241  1
  P  P113  1  0.314547  0.485819  0.412295  1
  P  P114  1  0.814547  0.485819  0.412295  1
  P  P115  1  0.930372  0.977845  0.435241  1
  P  P116  1  0.430372  0.977845  0.435241  1
  P  P117  1  0.147880  0.485819  0.412295  1
  P  P118  1  0.647880  0.485819  0.412295  1
  P  P119  1  0.981213  0.485819  0.412295  1
  P  P120  1  0.481213  0.485819  0.412295  1
  P  P121  1  0.200550  0.513672  0.484814  1
  P  P122  1  0.700550  0.513672  0.484814  1
  P  P123  1  0.033883  0.513672  0.484814  1
  P  P124  1  0.533883  0.513672  0.484814  1
  P  P125  1  0.255072  1.008479  0.464762  1
  P  P126  1  0.755072  1.008479  0.464762  1
  P  P127  1  0.867216  0.513672  0.484814  1
  P  P128  1  0.367216  0.513672  0.484814  1
  P  P129  1  0.088405  1.008479  0.464762  1
  P  P130  1  0.588405  1.008479  0.464762  1
  P  P131  1  0.921738  1.008479  0.464762  1
  P  P132  1  0.421738  1.008479  0.464762  1
  P  P133  1  0.177745  0.987255  0.469443  1
  P  P134  1  0.677745  0.987255  0.469443  1
  P  P135  1  0.011078  0.987255  0.469443  1
  P  P136  1  0.511078  0.987255  0.469443  1
  P  P137  1  0.231338  0.485566  0.448025  1
  P  P138  1  0.731338  0.485566  0.448025  1
  P  P139  1  0.844411  0.987255  0.469443  1
  P  P140  1  0.344411  0.987255  0.469443  1
  P  P141  1  0.064671  0.485566  0.448025  1
  P  P142  1  0.564671  0.485566  0.448025  1
  P  P143  1  0.898005  0.485566  0.448025  1
  P  P144  1  0.398005  0.485566  0.448025  1
  P  P145  1  0.117289  0.513377  0.520592  1
  P  P146  1  0.617289  0.513377  0.520592  1
  P  P147  1  0.950623  0.513377  0.520592  1
  P  P148  1  0.450623  0.513377  0.520592  1
  P  P149  1  0.169301  0.018035  0.499229  1
  P  P150  1  0.669301  0.018035  0.499229  1
  P  P151  1  0.783956  0.513377  0.520592  1
  P  P152  1  0.283956  0.513377  0.520592  1
  P  P153  1  1.002635  0.018035  0.499229  1
  P  P154  1  0.502635  0.018035  0.499229  1
  P  P155  1  0.835968  0.018035  0.499229  1
  P  P156  1  0.335968  0.018035  0.499229  1
  P  P157  1  0.096104  0.980602  0.505226  1
  P  P158  1  0.596104  0.980602  0.505226  1
  P  P159  1  0.929437  0.980602  0.505226  1
  P  P160  1  0.429437  0.980602  0.505226  1
  P  P161  1  0.148116  0.485260  0.483864  1
  P  P162  1  0.648116  0.485260  0.483864  1
  P  P163  1  0.762771  0.980602  0.505226  1
  P  P164  1  0.262771  0.980602  0.505226  1
  P  P165  1  0.981449  0.485260  0.483864  1
  P  P166  1  0.481449  0.485260  0.483864  1
  P  P167  1  0.814783  0.485260  0.483864  1
  P  P168  1  0.314783  0.485260  0.483864  1
  P  P169  1  0.034067  0.513071  0.556430  1
  P  P170  1  0.534067  0.513071  0.556430  1
  P  P171  1  0.867401  0.513071  0.556430  1
  P  P172  1  0.367401  0.513071  0.556430  1
  P  P173  1  0.087661  1.011382  0.535012  1
  P  P174  1  0.587661  1.011382  0.535012  1
  P  P175  1  0.700734  0.513071  0.556430  1
  P  P176  1  0.200734  0.513071  0.556430  1
  P  P177  1  0.920994  1.011382  0.535012  1
  P  P178  1  0.420994  1.011382  0.535012  1
  P  P179  1  0.754327  1.011382  0.535012  1
  P  P180  1  0.254327  1.011382  0.535012  1
  P  P181  1  0.010334  0.990158  0.539694  1
  P  P182  1  0.510334  0.990158  0.539694  1
  P  P183  1  0.843667  0.990158  0.539694  1
  P  P184  1  0.343667  0.990158  0.539694  1
  P  P185  1  0.064856  0.484965  0.519642  1
  P  P186  1  0.564856  0.484965  0.519642  1
  P  P187  1  0.677001  0.990158  0.539694  1
  P  P188  1  0.177001  0.990158  0.539694  1
  P  P189  1  0.898189  0.484965  0.519642  1
  P  P190  1  0.398189  0.484965  0.519642  1
  P  P191  1  0.731522  0.484965  0.519642  1
  P  P192  1  0.231522  0.484965  0.519642  1
  P  P193  1  0.950859  0.512818  0.592160  1
  P  P194  1  0.450859  0.512818  0.592160  1
  P  P195  1  0.784192  0.512818  0.592160  1
  P  P196  1  0.284192  0.512818  0.592160  1
  P  P197  1  1.001701  0.020792  0.569215  1
  P  P198  1  0.501701  0.020792  0.569215  1
  P  P199  1  0.617525  0.512818  0.592160  1
  P  P200  1  0.117525  0.512818  0.592160  1
  P  P201  1  0.835034  0.020792  0.569215  1
  P  P202  1  0.335034  0.020792  0.569215  1
  P  P203  1  0.668367  0.020792  0.569215  1
  P  P204  1  0.168367  0.020792  0.569215  1
  P  P205  1  0.928896  0.983381  0.574797  1
  P  P206  1  0.428896  0.983381  0.574797  1
  P  P207  1  0.762229  0.983381  0.574797  1
  P  P208  1  0.262229  0.983381  0.574797  1
  P  P209  1  0.981557  0.484682  0.555483  1
  P  P210  1  0.481557  0.484682  0.555483  1
  P  P211  1  0.595563  0.983381  0.574797  1
  P  P212  1  0.095563  0.983381  0.574797  1
  P  P213  1  0.814890  0.484682  0.555483  1
  P  P214  1  0.314890  0.484682  0.555483  1
  P  P215  1  0.648224  0.484682  0.555483  1
  P  P216  1  0.148224  0.484682  0.555483  1
  P  P217  1  0.867818  0.512396  0.628149  1
  P  P218  1  0.367818  0.512396  0.628149  1
  P  P219  1  0.701151  0.512396  0.628149  1
  P  P220  1  0.201151  0.512396  0.628149  1
  P  P221  1  0.919923  0.014000  0.605138  1
  P  P222  1  0.419923  0.014000  0.605138  1
  P  P223  1  0.534484  0.512396  0.628149  1
  P  P224  1  0.034484  0.512396  0.628149  1
  P  P225  1  0.753256  0.014000  0.605138  1
  P  P226  1  0.253256  0.014000  0.605138  1
  P  P227  1  0.586590  0.014000  0.605138  1
  P  P228  1  0.086590  0.014000  0.605138  1
  P  P229  1  0.843266  0.993170  0.611260  1
  P  P230  1  0.343266  0.993170  0.611260  1
  P  P231  1  0.676599  0.993170  0.611260  1
  P  P232  1  0.176599  0.993170  0.611260  1
  P  P233  1  0.898245  0.484343  0.591210  1
  P  P234  1  0.398245  0.484343  0.591210  1
  P  P235  1  0.509932  0.993170  0.611260  1
  P  P236  1  0.009932  0.993170  0.611260  1
  P  P237  1  0.731579  0.484343  0.591210  1
  P  P238  1  0.231579  0.484343  0.591210  1
  P  P239  1  0.564912  0.484343  0.591210  1
  P  P240  1  0.064912  0.484343  0.591210  1
  P  P241  1  0.784595  0.512526  0.663706  1
  P  P242  1  0.284595  0.512526  0.663706  1
  P  P243  1  0.617928  0.512526  0.663706  1
  P  P244  1  0.117928  0.512526  0.663706  1
  P  P245  1  0.832466  0.024776  0.638220  1
  P  P246  1  0.332466  0.024776  0.638220  1
  P  P247  1  0.451261  0.512526  0.663706  1
  P  P248  1  0.951261  0.512526  0.663706  1
  P  P249  1  0.665800  0.024776  0.638220  1
  P  P250  1  0.165800  0.024776  0.638220  1
  P  P251  1  0.499133  0.024776  0.638220  1
  P  P252  1  0.999133  0.024776  0.638220  1
  P  P253  1  0.762518  0.984791  0.643623  1
  P  P254  1  0.262518  0.984791  0.643623  1
  P  P255  1  0.595851  0.984791  0.643623  1
  P  P256  1  0.095851  0.984791  0.643623  1
  P  P257  1  0.814781  0.484190  0.627236  1
  P  P258  1  0.314781  0.484190  0.627236  1
  P  P259  1  0.429184  0.984791  0.643623  1
  P  P260  1  0.929184  0.984791  0.643623  1
  P  P261  1  0.648114  0.484190  0.627236  1
  P  P262  1  0.148114  0.484190  0.627236  1
  P  P263  1  0.481447  0.484190  0.627236  1
  P  P264  1  0.981447  0.484190  0.627236  1
  P  P265  1  0.702182  0.510946  0.699767  1
  P  P266  1  0.202182  0.510946  0.699767  1
  P  P267  1  0.535515  0.510946  0.699767  1
  P  P268  1  0.035515  0.510946  0.699767  1
  P  P269  1  0.750086  0.015820  0.673594  1
  P  P270  1  0.250086  0.015820  0.673594  1
  P  P271  1  0.368849  0.510946  0.699767  1
  P  P272  1  0.868849  0.510946  0.699767  1
  P  P273  1  0.583420  0.015820  0.673594  1
  P  P274  1  0.083420  0.015820  0.673594  1
  P  P275  1  0.416753  0.015820  0.673594  1
  P  P276  1  0.916753  0.015820  0.673594  1
  P  P277  1  0.684711  0.968378  0.663573  1
  P  P278  1  0.184711  0.968378  0.663573  1
  P  P279  1  0.518044  0.968378  0.663573  1
  P  P280  1  0.018044  0.968378  0.663573  1
  P  P281  1  0.731477  0.483581  0.662542  1
  P  P282  1  0.231477  0.483581  0.662542  1
  P  P283  1  0.351377  0.968378  0.663573  1
  P  P284  1  0.851377  0.968378  0.663573  1
  P  P285  1  0.564810  0.483581  0.662542  1
  P  P286  1  0.064810  0.483581  0.662542  1
  P  P287  1  0.398144  0.483581  0.662542  1
  P  P288  1  0.898144  0.483581  0.662542  1
  P  P289  1  0.618276  0.511997  0.733462  1
  P  P290  1  0.118276  0.511997  0.733462  1
  P  P291  1  0.451610  0.511997  0.733462  1
  P  P292  1  0.951610  0.511997  0.733462  1
  P  P293  1  0.670576  0.998994  0.682362  1
  P  P294  1  0.170576  0.998994  0.682362  1
  P  P295  1  0.284943  0.511997  0.733462  1
  P  P296  1  0.784943  0.511997  0.733462  1
  P  P297  1  0.503910  0.998994  0.682362  1
  P  P298  1  1.003910  0.998994  0.682362  1
  P  P299  1  0.337243  0.998994  0.682362  1
  P  P300  1  0.837243  0.998994  0.682362  1
  P  P301  1  0.589278  0.984783  0.708236  1
  P  P302  1  0.089278  0.984783  0.708236  1
  P  P303  1  0.422612  0.984783  0.708236  1
  P  P304  1  0.922612  0.984783  0.708236  1
  P  P305  1  0.647084  0.484129  0.698315  1
  P  P306  1  0.147084  0.484129  0.698315  1
  P  P307  1  0.255945  0.984783  0.708236  1
  P  P308  1  0.755945  0.984783  0.708236  1
  P  P309  1  0.480417  0.484129  0.698315  1
  P  P310  1  0.980417  0.484129  0.698315  1
  P  P311  1  0.313750  0.484129  0.698315  1
  P  P312  1  0.813750  0.484129  0.698315  1
