# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.75936054
_cell_length_b   15.55014673
_cell_length_c   41.87377273
_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   13434.576898
_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  0.276197  0.200104  0.966717  1
  P  P2  1  0.276325  0.699684  0.967023  1
  P  P3  1  0.776057  0.199563  0.966967  1
  P  P4  1  0.776263  0.699425  0.966781  1
  P  P5  1  0.128690  0.284404  0.975055  1
  P  P6  1  0.128913  0.784338  0.975104  1
  P  P7  1  0.628694  0.284052  0.975336  1
  P  P8  1  0.628689  0.783310  0.975046  1
  P  P9  1  0.016748  0.051237  0.354539  1
  P  P10  1  0.016748  0.551237  0.354539  1
  P  P11  1  0.516748  0.051237  0.354539  1
  P  P12  1  0.516748  0.551237  0.354539  1
  P  P13  1  0.269322  0.409341  0.527993  1
  P  P14  1  0.269322  0.909341  0.527993  1
  P  P15  1  0.769322  0.409341  0.527993  1
  P  P16  1  0.769322  0.909341  0.527993  1
  P  P17  1  0.019536  0.159491  0.528506  1
  P  P18  1  0.019536  0.659491  0.528506  1
  P  P19  1  0.519536  0.159491  0.528506  1
  P  P20  1  0.519536  0.659491  0.528506  1
  P  P21  1  0.401296  0.323103  0.967056  1
  P  P22  1  0.401346  0.824349  0.967102  1
  P  P23  1  0.901239  0.323936  0.966610  1
  P  P24  1  0.901283  0.823708  0.966642  1
  P  P25  1  0.262639  0.042959  0.588681  1
  P  P26  1  0.262639  0.542959  0.588681  1
  P  P27  1  0.762639  0.042959  0.588681  1
  P  P28  1  0.762639  0.542959  0.588681  1
  P  P29  1  0.267601  0.302188  0.353987  1
  P  P30  1  0.267601  0.802188  0.353987  1
  P  P31  1  0.767601  0.302188  0.353987  1
  P  P32  1  0.767601  0.802188  0.353987  1
  P  P33  1  0.240281  0.332137  0.597977  1
  P  P34  1  0.240281  0.832137  0.597977  1
  P  P35  1  0.740281  0.332137  0.597977  1
  P  P36  1  0.740281  0.832137  0.597977  1
  P  P37  1  0.114882  0.458134  0.598090  1
  P  P38  1  0.114882  0.958134  0.598090  1
  P  P39  1  0.614882  0.458134  0.598090  1
  P  P40  1  0.614882  0.958134  0.598090  1
  P  P41  1  0.372457  0.074545  0.536911  1
  P  P42  1  0.372457  0.574545  0.536911  1
  P  P43  1  0.872457  0.074545  0.536911  1
  P  P44  1  0.872457  0.574545  0.536911  1
  P  P45  1  0.387641  0.559917  0.089836  1
  P  P46  1  0.887566  0.060058  0.089500  1
  P  P47  1  0.887347  0.560018  0.089954  1
  P  P48  1  0.144630  0.045207  0.854134  1
  P  P49  1  0.145412  0.544750  0.854228  1
  P  P50  1  0.644958  0.044925  0.854163  1
  P  P51  1  0.644684  0.544742  0.854305  1
  P  P52  1  0.517156  0.042278  0.151697  1
  P  P53  1  0.506480  0.550339  0.148950  1
  P  P54  1  1.006252  0.051504  0.149073  1
  P  P55  1  1.008027  0.552250  0.149128  1
  P  P56  1  0.390504  0.302229  0.853863  1
  P  P57  1  0.390682  0.801699  0.853958  1
  P  P58  1  0.890675  0.301834  0.853888  1
  P  P59  1  0.890493  0.801760  0.853869  1
  P  P60  1  0.232857  0.466317  0.657120  1
  P  P61  1  0.232857  0.966317  0.657120  1
  P  P62  1  0.732857  0.466317  0.657120  1
  P  P63  1  0.732857  0.966317  0.657120  1
  P  P64  1  0.121835  0.323975  0.537033  1
  P  P65  1  0.121835  0.823975  0.537033  1
  P  P66  1  0.621835  0.323975  0.537033  1
  P  P67  1  0.621835  0.823975  0.537033  1
  P  P68  1  0.408446  0.018130  0.405588  1
  P  P69  1  0.408446  0.518130  0.405588  1
  P  P70  1  0.908446  0.018130  0.405588  1
  P  P71  1  0.908446  0.518130  0.405588  1
  P  P72  1  0.503711  0.159534  0.974989  1
  P  P73  1  0.503576  0.658998  0.975512  1
  P  P74  1  1.003558  0.159538  0.975094  1
  P  P75  1  1.003915  0.659598  0.975232  1
  P  P76  1  0.019409  0.317163  0.028372  1
  P  P77  1  0.019366  0.816775  0.028548  1
  P  P78  1  0.518888  0.314436  0.029146  1
  P  P79  1  0.519724  0.816803  0.028475  1
  P  P80  1  0.136109  0.416445  0.913979  1
  P  P81  1  0.136113  0.916251  0.913871  1
  P  P82  1  0.635928  0.416076  0.914079  1
  P  P83  1  0.636110  0.915893  0.913875  1
  P  P84  1  0.026016  0.449198  0.966549  1
  P  P85  1  0.025831  0.948991  0.966414  1
  P  P86  1  0.526038  0.448211  0.967182  1
  P  P87  1  0.526266  0.948621  0.966227  1
  P  P88  1  0.136181  0.059868  0.413891  1
  P  P89  1  0.136181  0.559868  0.413891  1
  P  P90  1  0.636181  0.059868  0.413891  1
  P  P91  1  0.636181  0.559868  0.413891  1
  P  P92  1  0.137549  0.166514  0.590301  1
  P  P93  1  0.137549  0.666514  0.590301  1
  P  P94  1  0.637549  0.166514  0.590301  1
  P  P95  1  0.637549  0.666514  0.590301  1
  P  P96  1  0.145113  0.431125  0.354149  1
  P  P97  1  0.145113  0.931125  0.354149  1
  P  P98  1  0.645113  0.431125  0.354149  1
  P  P99  1  0.645113  0.931125  0.354149  1
  P  P100  1  1.010575  0.184454  0.413679  1
  P  P101  1  1.010575  0.684454  0.413679  1
  P  P102  1  0.510575  0.184454  0.413679  1
  P  P103  1  0.510575  0.684454  0.413679  1
  P  P104  1  0.378310  0.430108  0.149357  1
  P  P105  1  0.376359  0.949196  0.142829  1
  P  P106  1  0.879538  0.431361  0.149591  1
  P  P107  1  0.876613  0.932936  0.149451  1
  P  P108  1  0.390794  0.174170  0.353854  1
  P  P109  1  0.390794  0.674170  0.353854  1
  P  P110  1  0.890794  0.174170  0.353854  1
  P  P111  1  0.890794  0.674170  0.353854  1
  P  P112  1  0.246723  0.276802  0.036795  1
  P  P113  1  0.247834  0.777307  0.036989  1
  P  P114  1  0.747238  0.276090  0.037263  1
  P  P115  1  0.746979  0.775946  0.036742  1
  P  P116  1  0.239795  0.144156  0.098052  1
  P  P117  1  0.241594  0.645179  0.098126  1
  P  P118  1  0.741814  0.143593  0.098844  1
  P  P119  1  0.740102  0.644067  0.097561  1
  P  P120  1  0.394559  0.284232  0.528576  1
  P  P121  1  0.394559  0.784232  0.528576  1
  P  P122  1  0.894559  0.284232  0.528576  1
  P  P123  1  0.894559  0.784232  0.528576  1
  P  P124  1  0.026259  0.027135  0.466606  1
  P  P125  1  0.026259  0.527135  0.466606  1
  P  P126  1  0.526259  0.027135  0.466606  1
  P  P127  1  0.526259  0.527135  0.466606  1
  P  P128  1  0.131549  0.175422  0.149629  1
  P  P129  1  0.134647  0.676007  0.149668  1
  P  P130  1  0.633439  0.174778  0.149877  1
  P  P131  1  0.632436  0.673774  0.149809  1
  P  P132  1  1.010396  0.291767  0.913690  1
  P  P133  1  1.010451  0.791569  0.913663  1
  P  P134  1  0.510408  0.291822  0.913745  1
  P  P135  1  0.510291  0.791161  0.913808  1
  P  P136  1  0.387146  0.416396  0.589787  1
  P  P137  1  0.387146  0.916396  0.589787  1
  P  P138  1  0.887146  0.416396  0.589787  1
  P  P139  1  0.887146  0.916396  0.589787  1
  P  P140  1  0.365207  0.206878  0.598627  1
  P  P141  1  0.365207  0.706878  0.598627  1
  P  P142  1  0.865207  0.206878  0.598627  1
  P  P143  1  0.865207  0.706878  0.598627  1
  P  P144  1  0.158121  0.269386  0.405051  1
  P  P145  1  0.158121  0.769386  0.405051  1
  P  P146  1  0.658121  0.269386  0.405051  1
  P  P147  1  0.658121  0.769386  0.405051  1
  P  P148  1  0.497068  0.449129  0.537072  1
  P  P149  1  0.497068  0.949129  0.537072  1
  P  P150  1  0.997068  0.449129  0.537072  1
  P  P151  1  0.997068  0.949129  0.537072  1
  P  P152  1  0.498238  0.027188  0.036121  1
  P  P153  1  0.497113  0.526177  0.037625  1
  P  P154  1  0.996668  0.027237  0.036848  1
  P  P155  1  0.997487  0.527730  0.037144  1
  P  P156  1  0.033801  0.082277  0.905120  1
  P  P157  1  0.034053  0.582082  0.905251  1
  P  P158  1  0.533959  0.082090  0.905120  1
  P  P159  1  0.534057  0.581688  0.905736  1
  P  P160  1  0.276364  0.276394  0.466817  1
  P  P161  1  0.276364  0.776394  0.466817  1
  P  P162  1  0.776364  0.276394  0.466817  1
  P  P163  1  0.776364  0.776394  0.466817  1
  P  P164  1  0.254062  0.409567  0.975715  1
  P  P165  1  0.254203  0.909678  0.975955  1
  P  P166  1  0.753948  0.408848  0.975924  1
  P  P167  1  0.753938  0.909069  0.975586  1
  P  P168  1  0.290471  0.009946  0.346558  1
  P  P169  1  0.290471  0.509946  0.346558  1
  P  P170  1  0.790471  0.009946  0.346558  1
  P  P171  1  0.790471  0.509946  0.346558  1
  P  P172  1  0.034213  0.393986  0.405277  1
  P  P173  1  0.034213  0.893986  0.405277  1
  P  P174  1  0.534213  0.393986  0.405277  1
  P  P175  1  0.534213  0.893986  0.405277  1
  P  P176  1  0.268228  0.068306  0.027373  1
  P  P177  1  0.269547  0.567072  0.028145  1
  P  P178  1  0.769116  0.066748  0.028203  1
  P  P179  1  0.769235  0.566372  0.027952  1
  P  P180  1  0.364435  0.268439  0.098403  1
  P  P181  1  0.366479  0.771217  0.098629  1
  P  P182  1  0.865698  0.269982  0.098798  1
  P  P183  1  0.865517  0.769337  0.098690  1
  P  P184  1  0.150346  0.074780  0.966454  1
  P  P185  1  0.150742  0.574566  0.966839  1
  P  P186  1  0.650631  0.074280  0.966762  1
  P  P187  1  0.650706  0.573776  0.967020  1
  P  P188  1  0.128769  0.192031  0.475102  1
  P  P189  1  0.128769  0.692031  0.475102  1
  P  P190  1  0.628769  0.192031  0.475102  1
  P  P191  1  0.628769  0.692031  0.475102  1
  P  P192  1  0.255610  0.301973  0.149585  1
  P  P193  1  0.258883  0.806598  0.148640  1
  P  P194  1  0.755236  0.305191  0.149551  1
  P  P195  1  0.756984  0.799075  0.149937  1
  P  P196  1  0.394364  0.189882  0.029164  1
  P  P197  1  0.394718  0.692935  0.028865  1
  P  P198  1  0.894344  0.192327  0.028489  1
  P  P199  1  0.894507  0.691734  0.028640  1
  P  P200  1  0.260459  0.042881  0.915007  1
  P  P201  1  0.260695  0.543056  0.915141  1
  P  P202  1  0.760436  0.042844  0.914974  1
  P  P203  1  0.760542  0.542342  0.915141  1
  P  P204  1  0.260688  0.433304  0.414997  1
  P  P205  1  0.260688  0.933304  0.414997  1
  P  P206  1  0.760688  0.433304  0.414997  1
  P  P207  1  0.760688  0.933304  0.414997  1
  P  P208  1  0.016863  0.424722  0.854571  1
  P  P209  1  0.016461  0.924724  0.854553  1
  P  P210  1  0.516081  0.425407  0.854667  1
  P  P211  1  0.516856  0.924234  0.854648  1
  P  P212  1  0.255726  0.174075  0.649691  1
  P  P213  1  0.255726  0.674075  0.649691  1
  P  P214  1  0.755726  0.174075  0.649691  1
  P  P215  1  0.755726  0.674075  0.649691  1
  P  P216  1  0.503792  0.316772  0.475172  1
  P  P217  1  0.503792  0.816772  0.475172  1
  P  P218  1  1.003792  0.316772  0.475172  1
  P  P219  1  1.003792  0.816772  0.475172  1
  P  P220  1  0.291646  0.467758  0.846753  1
  P  P221  1  0.289269  0.964764  0.846642  1
  P  P222  1  0.789537  0.465085  0.846585  1
  P  P223  1  0.790427  0.966476  0.846553  1
  P  P224  1  0.385628  0.166619  0.913288  1
  P  P225  1  0.385622  0.666331  0.913645  1
  P  P226  1  0.885508  0.166324  0.913384  1
  P  P227  1  0.885699  0.666253  0.913460  1
  P  P228  1  0.262889  0.433571  0.088669  1
  P  P229  1  0.261358  0.936689  0.087186  1
  P  P230  1  0.762437  0.433324  0.088754  1
  P  P231  1  0.763049  0.932708  0.088740  1
  P  P232  1  0.157884  0.207038  0.904890  1
  P  P233  1  0.157945  0.706661  0.905126  1
  P  P234  1  0.657837  0.206666  0.905165  1
  P  P235  1  0.657968  0.706225  0.905109  1
  P  P236  1  0.510414  0.178793  0.091015  1
  P  P237  1  0.513288  0.684778  0.090110  1
  P  P238  1  0.012521  0.185247  0.089808  1
  P  P239  1  0.013293  0.684953  0.090085  1
  P  P240  1  0.113757  0.018979  0.097665  1
  P  P241  1  0.115782  0.519248  0.098069  1
  P  P242  1  0.616144  0.018959  0.097067  1
  P  P243  1  0.615228  0.516528  0.098618  1
  P  P244  1  0.512752  0.291809  0.589999  1
  P  P245  1  0.512752  0.791809  0.589999  1
  P  P246  1  0.012752  0.291809  0.589999  1
  P  P247  1  0.012752  0.791809  0.589999  1
  P  P248  1  0.132533  0.302093  0.649824  1
  P  P249  1  0.132533  0.802093  0.649824  1
  P  P250  1  0.632533  0.302093  0.649824  1
  P  P251  1  0.632533  0.802093  0.649824  1
  P  P252  1  0.379300  0.441504  0.475569  1
  P  P253  1  0.379300  0.941504  0.475569  1
  P  P254  1  0.879300  0.441504  0.475569  1
  P  P255  1  0.879300  0.941504  0.475569  1
  P  P256  1  0.372540  0.400830  0.037129  1
  P  P257  1  0.373006  0.904938  0.037607  1
  P  P258  1  0.872741  0.401980  0.037068  1
  P  P259  1  0.872308  0.901443  0.036843  1
  P  P260  1  0.229155  0.009441  0.156922  1
  P  P261  1  0.233096  0.509709  0.157097  1
  P  P262  1  0.727320  0.004026  0.157139  1
  P  P263  1  0.736039  0.513922  0.157357  1
  P  P264  1  0.267653  0.173252  0.853987  1
  P  P265  1  0.267240  0.674844  0.854114  1
  P  P266  1  0.767239  0.174228  0.853988  1
  P  P267  1  0.767600  0.673040  0.854111  1
  P  P268  1  0.282846  0.332197  0.905611  1
  P  P269  1  0.283076  0.831889  0.906101  1
  P  P270  1  0.782812  0.331718  0.905857  1
  P  P271  1  0.782788  0.831770  0.905613  1
  P  P272  1  0.379226  0.035002  0.975318  1
  P  P273  1  0.379371  0.534631  0.975994  1
  P  P274  1  0.878980  0.034708  0.975568  1
  P  P275  1  0.879370  0.534559  0.975617  1
  P  P276  1  0.150870  0.401719  0.466767  1
  P  P277  1  0.150870  0.901719  0.466767  1
  P  P278  1  0.650870  0.401719  0.466767  1
  P  P279  1  0.650870  0.901719  0.466767  1
  P  P280  1  0.408414  0.457630  0.906125  1
  P  P281  1  0.408140  0.957892  0.905479  1
  P  P282  1  0.908146  0.457989  0.905478  1
  P  P283  1  0.908116  0.957874  0.905578  1
  P  P284  1  0.489114  0.082278  0.598402  1
  P  P285  1  0.489114  0.582278  0.598402  1
  P  P286  1  0.989114  0.082278  0.598402  1
  P  P287  1  0.989114  0.582278  0.598402  1
  P  P288  1  0.121604  0.152660  0.036904  1
  P  P289  1  0.122521  0.653158  0.037147  1
  P  P290  1  0.622170  0.152339  0.037085  1
  P  P291  1  0.621635  0.651650  0.037258  1
  P  P292  1  0.137644  0.310293  0.090143  1
  P  P293  1  0.138081  0.810909  0.090280  1
  P  P294  1  0.636475  0.307368  0.090220  1
  P  P295  1  0.638188  0.810048  0.090536  1
  P  P296  1  0.385778  0.309749  0.413378  1
  P  P297  1  0.385778  0.809749  0.413378  1
  P  P298  1  0.885778  0.309749  0.413378  1
  P  P299  1  0.885778  0.809749  0.413378  1
  P  P300  1  0.144027  0.034759  0.528109  1
  P  P301  1  0.144027  0.534759  0.528109  1
  P  P302  1  0.644027  0.034759  0.528109  1
  P  P303  1  0.644027  0.534759  0.528109  1
  P  P304  1  0.401493  0.152288  0.466645  1
  P  P305  1  0.401493  0.652288  0.466645  1
  P  P306  1  0.901493  0.152288  0.466645  1
  P  P307  1  0.901493  0.652288  0.466645  1
  P  P308  1  0.489072  0.391187  0.098716  1
  P  P309  1  0.490720  0.895617  0.097698  1
  P  P310  1  0.989893  0.394832  0.098422  1
  P  P311  1  0.988798  0.894112  0.098473  1
  P  P312  1  0.254005  0.066923  0.475686  1
  P  P313  1  0.254005  0.566923  0.475686  1
  P  P314  1  0.754005  0.066923  0.475686  1
  P  P315  1  0.754005  0.566923  0.475686  1
  P  P316  1  0.143969  0.441913  0.028055  1
  P  P317  1  0.143268  0.941841  0.027657  1
  P  P318  1  0.643627  0.440526  0.028474  1
  P  P319  1  0.644383  0.940565  0.027754  1
  P  P320  1  0.283047  0.144126  0.405701  1
  P  P321  1  0.283047  0.644126  0.405701  1
  P  P322  1  0.783047  0.144126  0.405701  1
  P  P323  1  0.783047  0.644126  0.405701  1
  P  P324  1  0.378214  0.045138  0.649529  1
  P  P325  1  0.378214  0.545138  0.649529  1
  P  P326  1  0.878214  0.045138  0.649529  1
  P  P327  1  0.878214  0.545138  0.649529  1
  P  P328  1  0.506579  0.425026  0.649139  1
  P  P329  1  0.506579  0.925026  0.649139  1
  P  P330  1  1.006579  0.425026  0.649139  1
  P  P331  1  1.006579  0.925026  0.649139  1
  P  P332  1  0.246963  0.199869  0.536861  1
  P  P333  1  0.246963  0.699869  0.536861  1
  P  P334  1  0.746963  0.199869  0.536861  1
  P  P335  1  0.746963  0.699869  0.536861  1
