# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.75699713
_cell_length_b   15.55066492
_cell_length_c   41.84682136
_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   13424.8487927
_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  0.276520  0.699991  0.966736  1
  P  P2  1  0.776559  0.199805  0.967131  1
  P  P3  1  0.776249  0.699685  0.967227  1
  P  P4  1  0.128183  0.285849  0.974629  1
  P  P5  1  0.129239  0.784175  0.975523  1
  P  P6  1  0.628974  0.284165  0.975439  1
  P  P7  1  0.629164  0.783797  0.975684  1
  P  P8  1  0.016862  0.051214  0.354759  1
  P  P9  1  0.016862  0.551214  0.354759  1
  P  P10  1  0.516862  0.051214  0.354759  1
  P  P11  1  0.516862  0.551214  0.354759  1
  P  P12  1  0.269457  0.409324  0.528336  1
  P  P13  1  0.269457  0.909324  0.528336  1
  P  P14  1  0.769457  0.409324  0.528336  1
  P  P15  1  0.769457  0.909324  0.528336  1
  P  P16  1  0.019670  0.159476  0.528849  1
  P  P17  1  0.019670  0.659476  0.528849  1
  P  P18  1  0.519670  0.159476  0.528849  1
  P  P19  1  0.519670  0.659476  0.528849  1
  P  P20  1  0.399403  0.319007  0.967272  1
  P  P21  1  0.401571  0.824286  0.967228  1
  P  P22  1  0.901472  0.324166  0.966827  1
  P  P23  1  0.901869  0.824555  0.967034  1
  P  P24  1  0.262779  0.042942  0.589066  1
  P  P25  1  0.262779  0.542942  0.589066  1
  P  P26  1  0.762779  0.042942  0.589066  1
  P  P27  1  0.762779  0.542942  0.589066  1
  P  P28  1  0.267722  0.302174  0.354207  1
  P  P29  1  0.267722  0.802174  0.354207  1
  P  P30  1  0.767722  0.302174  0.354207  1
  P  P31  1  0.767722  0.802174  0.354207  1
  P  P32  1  0.240416  0.332120  0.598367  1
  P  P33  1  0.240416  0.832120  0.598367  1
  P  P34  1  0.740416  0.332120  0.598367  1
  P  P35  1  0.740416  0.832120  0.598367  1
  P  P36  1  0.115017  0.458114  0.598477  1
  P  P37  1  0.115017  0.958114  0.598477  1
  P  P38  1  0.615017  0.458114  0.598477  1
  P  P39  1  0.615017  0.958114  0.598477  1
  P  P40  1  0.372588  0.074528  0.537257  1
  P  P41  1  0.372588  0.574528  0.537257  1
  P  P42  1  0.872588  0.074528  0.537257  1
  P  P43  1  0.872588  0.574528  0.537257  1
  P  P44  1  0.387393  0.059842  0.090429  1
  P  P45  1  0.387276  0.559957  0.090089  1
  P  P46  1  0.887536  0.060093  0.090198  1
  P  P47  1  0.887518  0.560015  0.090050  1
  P  P48  1  0.147869  0.042761  0.854763  1
  P  P49  1  0.141682  0.549570  0.853990  1
  P  P50  1  0.645141  0.044110  0.854428  1
  P  P51  1  0.644523  0.545154  0.854635  1
  P  P52  1  0.507309  0.050862  0.149779  1
  P  P53  1  0.506707  0.551174  0.149560  1
  P  P54  1  1.006972  0.051649  0.149425  1
  P  P55  1  1.007177  0.551477  0.149328  1
  P  P56  1  0.389987  0.302487  0.853903  1
  P  P57  1  0.389822  0.802319  0.854479  1
  P  P58  1  0.889971  0.302317  0.853885  1
  P  P59  1  0.891329  0.801890  0.854354  1
  P  P60  1  0.232988  0.466305  0.657548  1
  P  P61  1  0.232988  0.966305  0.657548  1
  P  P62  1  0.732988  0.466305  0.657548  1
  P  P63  1  0.732988  0.966305  0.657548  1
  P  P64  1  0.121965  0.323958  0.537379  1
  P  P65  1  0.121965  0.823958  0.537379  1
  P  P66  1  0.621965  0.323958  0.537379  1
  P  P67  1  0.621965  0.823958  0.537379  1
  P  P68  1  0.408571  0.018117  0.405848  1
  P  P69  1  0.408571  0.518117  0.405848  1
  P  P70  1  0.908571  0.018117  0.405848  1
  P  P71  1  0.908571  0.518117  0.405848  1
  P  P72  1  0.504519  0.159050  0.975327  1
  P  P73  1  0.503989  0.659050  0.975818  1
  P  P74  1  1.004197  0.160028  0.975238  1
  P  P75  1  1.003935  0.659804  0.975621  1
  P  P76  1  0.019551  0.317184  0.028592  1
  P  P77  1  0.020081  0.817530  0.028690  1
  P  P78  1  0.519466  0.316191  0.028823  1
  P  P79  1  0.519862  0.816499  0.029061  1
  P  P80  1  0.136127  0.416794  0.913095  1
  P  P81  1  0.137276  0.918215  0.914987  1
  P  P82  1  0.636053  0.416146  0.914355  1
  P  P83  1  0.636242  0.915530  0.914289  1
  P  P84  1  0.026126  0.449575  0.966567  1
  P  P85  1  0.027391  0.950580  0.966993  1
  P  P86  1  0.524417  0.447381  0.966887  1
  P  P87  1  0.526985  0.948699  0.967328  1
  P  P88  1  0.136301  0.059850  0.414152  1
  P  P89  1  0.136301  0.559850  0.414152  1
  P  P90  1  0.636301  0.059850  0.414152  1
  P  P91  1  0.636301  0.559850  0.414152  1
  P  P92  1  0.137689  0.166497  0.590685  1
  P  P93  1  0.137689  0.666497  0.590685  1
  P  P94  1  0.637689  0.166497  0.590685  1
  P  P95  1  0.637689  0.666497  0.590685  1
  P  P96  1  0.145229  0.431104  0.354369  1
  P  P97  1  0.145229  0.931104  0.354369  1
  P  P98  1  0.645229  0.431104  0.354369  1
  P  P99  1  0.645229  0.931104  0.354369  1
  P  P100  1  1.010697  0.184437  0.413940  1
  P  P101  1  1.010697  0.684437  0.413940  1
  P  P102  1  0.510697  0.184437  0.413940  1
  P  P103  1  0.510697  0.684437  0.413940  1
  P  P104  1  0.378073  0.431213  0.149697  1
  P  P105  1  0.379242  0.930202  0.149961  1
  P  P106  1  0.878714  0.431380  0.149843  1
  P  P107  1  0.878779  0.931271  0.150008  1
  P  P108  1  0.390917  0.174158  0.354074  1
  P  P109  1  0.390917  0.674158  0.354074  1
  P  P110  1  0.890917  0.174158  0.354074  1
  P  P111  1  0.890917  0.674158  0.354074  1
  P  P112  1  0.247647  0.275468  0.035740  1
  P  P113  1  0.247437  0.776710  0.036947  1
  P  P114  1  0.747197  0.276374  0.037242  1
  P  P115  1  0.747483  0.776439  0.037416  1
  P  P116  1  0.240348  0.145209  0.097234  1
  P  P117  1  0.240723  0.644030  0.098270  1
  P  P118  1  0.740659  0.144178  0.098459  1
  P  P119  1  0.740881  0.644199  0.098528  1
  P  P120  1  0.394693  0.284217  0.528919  1
  P  P121  1  0.394693  0.784217  0.528919  1
  P  P122  1  0.894693  0.284217  0.528919  1
  P  P123  1  0.894693  0.784217  0.528919  1
  P  P124  1  0.026389  0.027119  0.466907  1
  P  P125  1  0.026389  0.527119  0.466907  1
  P  P126  1  0.526389  0.027119  0.466907  1
  P  P127  1  0.526389  0.527119  0.466907  1
  P  P128  1  0.132911  0.174512  0.149864  1
  P  P129  1  0.133088  0.674428  0.149831  1
  P  P130  1  0.633125  0.174214  0.150423  1
  P  P131  1  0.632902  0.674072  0.150354  1
  P  P132  1  1.009608  0.292545  0.913590  1
  P  P133  1  1.011322  0.792555  0.914316  1
  P  P134  1  0.509990  0.291890  0.914090  1
  P  P135  1  0.510917  0.790700  0.914164  1
  P  P136  1  0.387286  0.416381  0.590173  1
  P  P137  1  0.387286  0.916381  0.590173  1
  P  P138  1  0.887286  0.416381  0.590173  1
  P  P139  1  0.887286  0.916381  0.590173  1
  P  P140  1  0.365342  0.206861  0.599016  1
  P  P141  1  0.365342  0.706861  0.599016  1
  P  P142  1  0.865342  0.206861  0.599016  1
  P  P143  1  0.865342  0.706861  0.599016  1
  P  P144  1  0.158245  0.269370  0.405309  1
  P  P145  1  0.158245  0.769370  0.405309  1
  P  P146  1  0.658245  0.269370  0.405309  1
  P  P147  1  0.658245  0.769370  0.405309  1
  P  P148  1  0.497198  0.449112  0.537418  1
  P  P149  1  0.497198  0.949112  0.537418  1
  P  P150  1  0.997198  0.449112  0.537418  1
  P  P151  1  0.997198  0.949112  0.537418  1
  P  P152  1  0.497511  0.027224  0.037513  1
  P  P153  1  0.497633  0.527191  0.037578  1
  P  P154  1  0.997391  0.027435  0.037428  1
  P  P155  1  0.997238  0.527175  0.037283  1
  P  P156  1  0.034009  0.081774  0.905484  1
  P  P157  1  0.033866  0.583354  0.905619  1
  P  P158  1  0.535401  0.081655  0.905636  1
  P  P159  1  0.532730  0.580469  0.905886  1
  P  P160  1  0.276494  0.276379  0.467117  1
  P  P161  1  0.276494  0.776379  0.467117  1
  P  P162  1  0.776494  0.276379  0.467117  1
  P  P163  1  0.776494  0.776379  0.467117  1
  P  P164  1  0.253783  0.409386  0.976314  1
  P  P165  1  0.254759  0.909421  0.975597  1
  P  P166  1  0.754166  0.409296  0.976055  1
  P  P167  1  0.754374  0.909220  0.976151  1
  P  P168  1  0.290599  0.009926  0.346776  1
  P  P169  1  0.290599  0.509926  0.346776  1
  P  P170  1  0.790599  0.009926  0.346776  1
  P  P171  1  0.790599  0.509926  0.346776  1
  P  P172  1  0.034336  0.393970  0.405535  1
  P  P173  1  0.034336  0.893970  0.405535  1
  P  P174  1  0.534336  0.393970  0.405535  1
  P  P175  1  0.534336  0.893970  0.405535  1
  P  P176  1  0.270157  0.067736  0.027566  1
  P  P177  1  0.269413  0.567196  0.028137  1
  P  P178  1  0.769751  0.066956  0.028438  1
  P  P179  1  0.769331  0.566886  0.028336  1
  P  P180  1  0.365437  0.269583  0.098753  1
  P  P181  1  0.365292  0.769726  0.098725  1
  P  P182  1  0.865529  0.269498  0.098988  1
  P  P183  1  0.865812  0.769497  0.099142  1
  P  P184  1  0.153043  0.078575  0.966958  1
  P  P185  1  0.150781  0.574398  0.966821  1
  P  P186  1  0.651444  0.074241  0.967224  1
  P  P187  1  0.650120  0.573624  0.967187  1
  P  P188  1  0.128895  0.192014  0.475406  1
  P  P189  1  0.128895  0.692014  0.475406  1
  P  P190  1  0.628895  0.192014  0.475406  1
  P  P191  1  0.628895  0.692014  0.475406  1
  P  P192  1  0.256424  0.300939  0.149909  1
  P  P193  1  0.255199  0.804329  0.149580  1
  P  P194  1  0.756152  0.302464  0.150117  1
  P  P195  1  0.756263  0.802176  0.150256  1
  P  P196  1  0.395529  0.191351  0.029518  1
  P  P197  1  0.394671  0.691800  0.028774  1
  P  P198  1  0.894884  0.192189  0.028851  1
  P  P199  1  0.894780  0.692369  0.028882  1
  P  P200  1  0.261269  0.049513  0.916159  1
  P  P201  1  0.260201  0.540776  0.915653  1
  P  P202  1  0.760663  0.042578  0.915328  1
  P  P203  1  0.760585  0.542900  0.915407  1
  P  P204  1  0.260808  0.433289  0.415259  1
  P  P205  1  0.260808  0.933289  0.415259  1
  P  P206  1  0.760808  0.433289  0.415259  1
  P  P207  1  0.760808  0.933289  0.415259  1
  P  P208  1  0.015425  0.426107  0.854506  1
  P  P209  1  0.018248  0.924133  0.855105  1
  P  P210  1  0.516694  0.424251  0.855081  1
  P  P211  1  0.515895  0.924699  0.854939  1
  P  P212  1  0.255866  0.174057  0.650118  1
  P  P213  1  0.255866  0.674057  0.650118  1
  P  P214  1  0.755866  0.174057  0.650118  1
  P  P215  1  0.755866  0.674057  0.650118  1
  P  P216  1  0.503917  0.316755  0.475475  1
  P  P217  1  0.503917  0.816755  0.475475  1
  P  P218  1  1.003917  0.316755  0.475475  1
  P  P219  1  1.003917  0.816755  0.475475  1
  P  P220  1  0.278168  0.450847  0.848178  1
  P  P221  1  0.297918  0.977392  0.848081  1
  P  P222  1  0.789544  0.466201  0.846725  1
  P  P223  1  0.790408  0.965591  0.846876  1
  P  P224  1  0.387798  0.163866  0.911670  1
  P  P225  1  0.385758  0.666849  0.914493  1
  P  P226  1  0.885607  0.166311  0.913544  1
  P  P227  1  0.885885  0.667100  0.913913  1
  P  P228  1  0.262859  0.432395  0.088495  1
  P  P229  1  0.263044  0.934203  0.088585  1
  P  P230  1  0.762869  0.433428  0.089045  1
  P  P231  1  0.763133  0.933344  0.089221  1
  P  P232  1  0.154373  0.207527  0.903937  1
  P  P233  1  0.159096  0.708016  0.905344  1
  P  P234  1  0.658197  0.206837  0.905344  1
  P  P235  1  0.657571  0.705772  0.905569  1
  P  P236  1  0.513297  0.184274  0.090687  1
  P  P237  1  0.512981  0.684427  0.090485  1
  P  P238  1  0.013137  0.184741  0.090233  1
  P  P239  1  0.013131  0.684787  0.090130  1
  P  P240  1  0.115625  0.018256  0.098351  1
  P  P241  1  0.115078  0.518190  0.098105  1
  P  P242  1  0.615398  0.018134  0.098632  1
  P  P243  1  0.615397  0.518113  0.098634  1
  P  P244  1  0.512891  0.291793  0.590384  1
  P  P245  1  0.512891  0.791793  0.590384  1
  P  P246  1  0.012891  0.291793  0.590384  1
  P  P247  1  0.012891  0.791793  0.590384  1
  P  P248  1  0.132671  0.302073  0.650251  1
  P  P249  1  0.132671  0.802073  0.650251  1
  P  P250  1  0.632671  0.302073  0.650251  1
  P  P251  1  0.632671  0.802073  0.650251  1
  P  P252  1  0.379425  0.441488  0.475873  1
  P  P253  1  0.379425  0.941488  0.475873  1
  P  P254  1  0.879425  0.441488  0.475873  1
  P  P255  1  0.879425  0.941488  0.475873  1
  P  P256  1  0.373192  0.401983  0.037325  1
  P  P257  1  0.372846  0.902551  0.037097  1
  P  P258  1  0.872612  0.401761  0.037241  1
  P  P259  1  0.872884  0.901920  0.037375  1
  P  P260  1  0.235842  0.013647  0.157025  1
  P  P261  1  0.232134  0.508195  0.157038  1
  P  P262  1  0.733366  0.009936  0.157688  1
  P  P263  1  0.733513  0.510139  0.157663  1
  P  P264  1  0.264284  0.181135  0.853196  1
  P  P265  1  0.270409  0.666592  0.855105  1
  P  P266  1  0.767345  0.173506  0.854222  1
  P  P267  1  0.767570  0.673945  0.854470  1
  P  P268  1  0.282811  0.324477  0.908961  1
  P  P269  1  0.282640  0.834840  0.905077  1
  P  P270  1  0.782913  0.332032  0.905957  1
  P  P271  1  0.782845  0.831763  0.906096  1
  P  P272  1  0.379601  0.036822  0.975814  1
  P  P273  1  0.379438  0.533156  0.975916  1
  P  P274  1  0.879707  0.034955  0.975883  1
  P  P275  1  0.879401  0.534880  0.975921  1
  P  P276  1  0.151000  0.401703  0.467067  1
  P  P277  1  0.151000  0.901703  0.467067  1
  P  P278  1  0.651000  0.401703  0.467067  1
  P  P279  1  0.651000  0.901703  0.467067  1
  P  P280  1  0.405166  0.456250  0.905598  1
  P  P281  1  0.410019  0.956902  0.907059  1
  P  P282  1  0.907826  0.458827  0.905691  1
  P  P283  1  0.908550  0.957847  0.905897  1
  P  P284  1  0.489251  0.082261  0.598790  1
  P  P285  1  0.489251  0.582261  0.598790  1
  P  P286  1  0.989251  0.082261  0.598790  1
  P  P287  1  0.989251  0.582261  0.598790  1
  P  P288  1  0.121598  0.153066  0.037061  1
  P  P289  1  0.122225  0.652147  0.037225  1
  P  P290  1  0.622162  0.152218  0.037458  1
  P  P291  1  0.622387  0.652279  0.037636  1
  P  P292  1  0.138057  0.309977  0.090296  1
  P  P293  1  0.137953  0.810058  0.090063  1
  P  P294  1  0.637848  0.309683  0.090714  1
  P  P295  1  0.637984  0.809706  0.090890  1
  P  P296  1  0.385899  0.309734  0.413639  1
  P  P297  1  0.385899  0.809734  0.413639  1
  P  P298  1  0.885899  0.309734  0.413639  1
  P  P299  1  0.885899  0.809734  0.413639  1
  P  P300  1  0.144162  0.034743  0.528452  1
  P  P301  1  0.144162  0.534743  0.528452  1
  P  P302  1  0.644162  0.034743  0.528452  1
  P  P303  1  0.644162  0.534743  0.528452  1
  P  P304  1  0.401622  0.152273  0.466946  1
  P  P305  1  0.401622  0.652273  0.466946  1
  P  P306  1  0.901622  0.152273  0.466946  1
  P  P307  1  0.901622  0.652273  0.466946  1
  P  P308  1  0.489573  0.393946  0.098832  1
  P  P309  1  0.489550  0.894073  0.098795  1
  P  P310  1  0.989482  0.394000  0.098666  1
  P  P311  1  0.989688  0.894219  0.098788  1
  P  P312  1  0.254131  0.066906  0.475989  1
  P  P313  1  0.254131  0.566906  0.475989  1
  P  P314  1  0.754131  0.066906  0.475989  1
  P  P315  1  0.754131  0.566906  0.475989  1
  P  P316  1  0.144166  0.441199  0.028184  1
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  P  P318  1  0.643836  0.441196  0.028433  1
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  P  P320  1  0.283171  0.144111  0.405958  1
  P  P321  1  0.283171  0.644111  0.405958  1
  P  P322  1  0.783171  0.144111  0.405958  1
  P  P323  1  0.783171  0.644111  0.405958  1
  P  P324  1  0.378358  0.045127  0.649956  1
  P  P325  1  0.378358  0.545127  0.649956  1
  P  P326  1  0.878358  0.045127  0.649956  1
  P  P327  1  0.878358  0.545127  0.649956  1
  P  P328  1  0.506725  0.425017  0.649566  1
  P  P329  1  0.506725  0.925017  0.649566  1
  P  P330  1  1.006725  0.425017  0.649566  1
  P  P331  1  1.006725  0.925017  0.649566  1
  P  P332  1  0.247094  0.199852  0.537207  1
  P  P333  1  0.247094  0.699852  0.537207  1
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  P  P335  1  0.747094  0.699852  0.537207  1
