# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.73090243
_cell_length_b   15.56462597
_cell_length_c   41.85737533
_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   13423.3936943
_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  0.277129  0.199463  0.966996  1
  P  P2  1  0.277129  0.699463  0.966996  1
  P  P3  1  0.777129  0.199463  0.966996  1
  P  P4  1  0.777129  0.699463  0.966996  1
  P  P5  1  0.129451  0.283755  0.975274  1
  P  P6  1  0.129451  0.783755  0.975274  1
  P  P7  1  0.629451  0.283755  0.975274  1
  P  P8  1  0.629451  0.783755  0.975274  1
  P  P9  1  0.017103  0.050537  0.354488  1
  P  P10  1  0.017468  0.550696  0.354666  1
  P  P11  1  0.517154  0.050570  0.354754  1
  P  P12  1  0.517151  0.550490  0.354910  1
  P  P13  1  0.270124  0.408583  0.528202  1
  P  P14  1  0.269880  0.908854  0.528382  1
  P  P15  1  0.770284  0.409130  0.528146  1
  P  P16  1  0.770003  0.909157  0.528162  1
  P  P17  1  0.020314  0.158971  0.528673  1
  P  P18  1  0.020200  0.658988  0.528443  1
  P  P19  1  0.520683  0.159430  0.528864  1
  P  P20  1  0.520332  0.659232  0.528731  1
  P  P21  1  0.402254  0.323559  0.966830  1
  P  P22  1  0.402254  0.823559  0.966830  1
  P  P23  1  0.902254  0.323559  0.966830  1
  P  P24  1  0.902254  0.823559  0.966830  1
  P  P25  1  0.263792  0.043750  0.589049  1
  P  P26  1  0.263909  0.540369  0.588812  1
  P  P27  1  0.763034  0.043189  0.588841  1
  P  P28  1  0.763784  0.542855  0.588828  1
  P  P29  1  0.268344  0.301681  0.354116  1
  P  P30  1  0.268296  0.801603  0.354045  1
  P  P31  1  0.768320  0.302197  0.354162  1
  P  P32  1  0.768076  0.801636  0.354082  1
  P  P33  1  0.244642  0.325876  0.597881  1
  P  P34  1  0.240995  0.831291  0.598313  1
  P  P35  1  0.741148  0.331808  0.598027  1
  P  P36  1  0.740468  0.833548  0.598438  1
  P  P37  1  0.118222  0.455990  0.598486  1
  P  P38  1  0.115819  0.957375  0.598287  1
  P  P39  1  0.616704  0.458963  0.598496  1
  P  P40  1  0.613363  0.960166  0.597908  1
  P  P41  1  0.372097  0.074049  0.536985  1
  P  P42  1  0.373349  0.573630  0.537266  1
  P  P43  1  0.873127  0.074346  0.537047  1
  P  P44  1  0.873444  0.574335  0.537159  1
  P  P45  1  0.388009  0.059401  0.090049  1
  P  P46  1  0.388009  0.559401  0.090049  1
  P  P47  1  0.888009  0.059401  0.090049  1
  P  P48  1  0.888009  0.559401  0.090049  1
  P  P49  1  0.145727  0.044765  0.854251  1
  P  P50  1  0.145727  0.544765  0.854251  1
  P  P51  1  0.645727  0.044765  0.854251  1
  P  P52  1  0.645727  0.544765  0.854251  1
  P  P53  1  0.507502  0.050644  0.149435  1
  P  P54  1  0.507502  0.550644  0.149435  1
  P  P55  1  1.007502  0.050644  0.149435  1
  P  P56  1  1.007502  0.550644  0.149435  1
  P  P57  1  0.391445  0.301679  0.853959  1
  P  P58  1  0.391445  0.801679  0.853959  1
  P  P59  1  0.891445  0.301679  0.853959  1
  P  P60  1  0.891445  0.801679  0.853959  1
  P  P61  1  0.239286  0.458561  0.657005  1
  P  P62  1  0.233743  0.965103  0.657333  1
  P  P63  1  0.735633  0.465261  0.657431  1
  P  P64  1  0.729964  0.969936  0.657150  1
  P  P65  1  0.123168  0.323104  0.537418  1
  P  P66  1  0.122594  0.823333  0.537140  1
  P  P67  1  0.622862  0.323977  0.537264  1
  P  P68  1  0.622107  0.824644  0.537350  1
  P  P69  1  0.409058  0.017840  0.405969  1
  P  P70  1  0.409092  0.517536  0.406085  1
  P  P71  1  0.909118  0.017704  0.405704  1
  P  P72  1  0.909105  0.517585  0.405677  1
  P  P73  1  0.504469  0.159019  0.975346  1
  P  P74  1  0.504469  0.659019  0.975346  1
  P  P75  1  1.004469  0.159019  0.975346  1
  P  P76  1  1.004469  0.659019  0.975346  1
  P  P77  1  0.020350  0.316337  0.028725  1
  P  P78  1  0.020350  0.816337  0.028725  1
  P  P79  1  0.520350  0.316337  0.028725  1
  P  P80  1  0.520350  0.816337  0.028725  1
  P  P81  1  0.136811  0.415954  0.914023  1
  P  P82  1  0.136811  0.915954  0.914023  1
  P  P83  1  0.636811  0.415954  0.914023  1
  P  P84  1  0.636811  0.915954  0.914023  1
  P  P85  1  0.027029  0.448717  0.966793  1
  P  P86  1  0.027029  0.948717  0.966793  1
  P  P87  1  0.527029  0.448717  0.966793  1
  P  P88  1  0.527029  0.948717  0.966793  1
  P  P89  1  0.136666  0.059265  0.413781  1
  P  P90  1  0.136884  0.559230  0.414090  1
  P  P91  1  0.636677  0.059501  0.414073  1
  P  P92  1  0.636745  0.559570  0.414228  1
  P  P93  1  0.137941  0.165386  0.590476  1
  P  P94  1  0.138357  0.665339  0.590061  1
  P  P95  1  0.637967  0.166373  0.590886  1
  P  P96  1  0.638449  0.667053  0.590363  1
  P  P97  1  0.145926  0.430658  0.354306  1
  P  P98  1  0.145623  0.930345  0.354080  1
  P  P99  1  0.645622  0.430803  0.354430  1
  P  P100  1  0.645603  0.930637  0.354316  1
  P  P101  1  1.011156  0.184013  0.413696  1
  P  P102  1  1.011217  0.683960  0.413797  1
  P  P103  1  0.511086  0.183988  0.413976  1
  P  P104  1  0.511139  0.684045  0.414073  1
  P  P105  1  0.379092  0.430590  0.149820  1
  P  P106  1  0.379092  0.930590  0.149820  1
  P  P107  1  0.879092  0.430590  0.149820  1
  P  P108  1  0.879092  0.930590  0.149820  1
  P  P109  1  0.391464  0.173635  0.353986  1
  P  P110  1  0.391524  0.673608  0.354154  1
  P  P111  1  0.891305  0.173771  0.353917  1
  P  P112  1  0.891442  0.673729  0.353964  1
  P  P113  1  0.247691  0.275893  0.037075  1
  P  P114  1  0.247691  0.775893  0.037075  1
  P  P115  1  0.747691  0.275893  0.037075  1
  P  P116  1  0.747691  0.775893  0.037075  1
  P  P117  1  0.241079  0.143606  0.098244  1
  P  P118  1  0.241079  0.643606  0.098244  1
  P  P119  1  0.741079  0.143606  0.098244  1
  P  P120  1  0.741079  0.643606  0.098244  1
  P  P121  1  0.395123  0.282706  0.530149  1
  P  P122  1  0.395161  0.783661  0.528869  1
  P  P123  1  0.895404  0.283936  0.528780  1
  P  P124  1  0.895302  0.783836  0.528587  1
  P  P125  1  0.026976  0.026596  0.466680  1
  P  P126  1  0.026970  0.526484  0.466709  1
  P  P127  1  0.526887  0.026785  0.466948  1
  P  P128  1  0.526971  0.526524  0.466982  1
  P  P129  1  0.133375  0.173676  0.150112  1
  P  P130  1  0.133375  0.673676  0.150112  1
  P  P131  1  0.633375  0.173676  0.150112  1
  P  P132  1  0.633375  0.673676  0.150112  1
  P  P133  1  1.011221  0.291364  0.913814  1
  P  P134  1  1.011221  0.791364  0.913814  1
  P  P135  1  0.511221  0.291364  0.913814  1
  P  P136  1  0.511221  0.791364  0.913814  1
  P  P137  1  0.388755  0.415883  0.590616  1
  P  P138  1  0.387525  0.915385  0.590167  1
  P  P139  1  0.888028  0.416058  0.590080  1
  P  P140  1  0.887808  0.915973  0.589716  1
  P  P141  1  0.365528  0.705853  0.598855  1
  P  P142  1  0.866221  0.206395  0.598836  1
  P  P143  1  0.865977  0.707025  0.598762  1
  P  P144  1  0.158961  0.268822  0.405201  1
  P  P145  1  0.158706  0.768743  0.405112  1
  P  P146  1  0.658867  0.268945  0.405212  1
  P  P147  1  0.658675  0.768926  0.405246  1
  P  P148  1  0.497826  0.448598  0.537429  1
  P  P149  1  0.496815  0.949862  0.537518  1
  P  P150  1  0.998386  0.448538  0.537437  1
  P  P151  1  0.997830  0.948731  0.537205  1
  P  P152  1  0.497790  0.026638  0.037278  1
  P  P153  1  0.497790  0.526638  0.037278  1
  P  P154  1  0.997790  0.026638  0.037278  1
  P  P155  1  0.997790  0.526638  0.037278  1
  P  P156  1  0.034911  0.081889  0.905429  1
  P  P157  1  0.034911  0.581889  0.905429  1
  P  P158  1  0.534911  0.081889  0.905429  1
  P  P159  1  0.534911  0.581889  0.905429  1
  P  P160  1  0.277400  0.275707  0.467143  1
  P  P161  1  0.276969  0.775903  0.467068  1
  P  P162  1  0.777201  0.276020  0.466970  1
  P  P163  1  0.777048  0.776077  0.466960  1
  P  P164  1  0.254690  0.408857  0.975854  1
  P  P165  1  0.254690  0.908857  0.975854  1
  P  P166  1  0.754690  0.408857  0.975854  1
  P  P167  1  0.754690  0.908857  0.975854  1
  P  P168  1  0.291322  0.009287  0.346719  1
  P  P169  1  0.291627  0.509100  0.346823  1
  P  P170  1  0.791296  0.009111  0.346646  1
  P  P171  1  0.790954  0.509733  0.346666  1
  P  P172  1  0.034963  0.393365  0.405415  1
  P  P173  1  0.034804  0.893407  0.405272  1
  P  P174  1  0.534888  0.393332  0.405690  1
  P  P175  1  0.534752  0.893523  0.405564  1
  P  P176  1  0.270130  0.066498  0.028217  1
  P  P177  1  0.270130  0.566498  0.028217  1
  P  P178  1  0.770130  0.066498  0.028217  1
  P  P179  1  0.770130  0.566498  0.028217  1
  P  P180  1  0.365989  0.268875  0.098872  1
  P  P181  1  0.365989  0.768875  0.098872  1
  P  P182  1  0.865989  0.268875  0.098872  1
  P  P183  1  0.865989  0.768875  0.098872  1
  P  P184  1  0.151634  0.074140  0.966953  1
  P  P185  1  0.151634  0.574140  0.966953  1
  P  P186  1  0.651634  0.074140  0.966953  1
  P  P187  1  0.651634  0.574140  0.966953  1
  P  P188  1  0.129182  0.191344  0.475087  1
  P  P189  1  0.129536  0.691460  0.475234  1
  P  P190  1  0.629393  0.191928  0.475238  1
  P  P191  1  0.629380  0.692033  0.475443  1
  P  P192  1  0.256551  0.301752  0.149982  1
  P  P193  1  0.256551  0.801752  0.149982  1
  P  P194  1  0.756551  0.301752  0.149982  1
  P  P195  1  0.756551  0.801752  0.149982  1
  P  P196  1  0.395368  0.191600  0.028798  1
  P  P197  1  0.395368  0.691600  0.028798  1
  P  P198  1  0.895368  0.191600  0.028798  1
  P  P199  1  0.895368  0.691600  0.028798  1
  P  P200  1  0.261324  0.042499  0.915141  1
  P  P201  1  0.261324  0.542499  0.915141  1
  P  P202  1  0.761324  0.042499  0.915141  1
  P  P203  1  0.761324  0.542499  0.915141  1
  P  P204  1  0.261454  0.432682  0.415266  1
  P  P205  1  0.261157  0.932563  0.415018  1
  P  P206  1  0.761370  0.433142  0.415240  1
  P  P207  1  0.761232  0.932946  0.415114  1
  P  P208  1  0.017318  0.424711  0.854636  1
  P  P209  1  0.017318  0.924711  0.854636  1
  P  P210  1  0.517318  0.424711  0.854636  1
  P  P211  1  0.517318  0.924711  0.854636  1
  P  P212  1  0.254759  0.171661  0.650709  1
  P  P213  1  0.255129  0.669704  0.649546  1
  P  P214  1  0.757394  0.175458  0.650067  1
  P  P215  1  0.756052  0.673580  0.649651  1
  P  P216  1  0.504188  0.316167  0.475674  1
  P  P217  1  0.504251  0.816722  0.475540  1
  P  P218  1  1.004583  0.316362  0.475407  1
  P  P219  1  1.004451  0.816430  0.475228  1
  P  P220  1  0.291273  0.466041  0.846676  1
  P  P221  1  0.291273  0.966041  0.846676  1
  P  P222  1  0.791273  0.466041  0.846676  1
  P  P223  1  0.791273  0.966041  0.846676  1
  P  P224  1  0.386419  0.166058  0.913519  1
  P  P225  1  0.386419  0.666058  0.913519  1
  P  P226  1  0.886419  0.166058  0.913519  1
  P  P227  1  0.886419  0.666058  0.913519  1
  P  P228  1  0.263495  0.432856  0.088930  1
  P  P229  1  0.263495  0.932856  0.088930  1
  P  P230  1  0.763495  0.432856  0.088930  1
  P  P231  1  0.763495  0.932856  0.088930  1
  P  P232  1  0.158830  0.206480  0.905200  1
  P  P233  1  0.158830  0.706480  0.905200  1
  P  P234  1  0.658830  0.206480  0.905200  1
  P  P235  1  0.658830  0.706480  0.905200  1
  P  P236  1  0.513599  0.183991  0.090258  1
  P  P237  1  0.513599  0.683991  0.090258  1
  P  P238  1  0.013599  0.183991  0.090258  1
  P  P239  1  0.013599  0.683991  0.090258  1
  P  P240  1  0.115658  0.017638  0.098307  1
  P  P241  1  0.115658  0.517638  0.098307  1
  P  P242  1  0.615658  0.017638  0.098307  1
  P  P243  1  0.615658  0.517638  0.098307  1
  P  P244  1  0.515387  0.293743  0.590457  1
  P  P245  1  0.513163  0.791605  0.590312  1
  P  P246  1  0.013611  0.291308  0.590182  1
  P  P247  1  0.013552  0.791026  0.590017  1
  P  P248  1  0.133943  0.300942  0.649809  1
  P  P249  1  0.133213  0.800588  0.649825  1
  P  P250  1  0.634226  0.302733  0.650433  1
  P  P251  1  0.632675  0.803215  0.649750  1
  P  P252  1  0.380045  0.440076  0.476134  1
  P  P253  1  0.379681  0.941075  0.475813  1
  P  P254  1  0.880156  0.441277  0.475806  1
  P  P255  1  0.879929  0.941251  0.475698  1
  P  P256  1  0.373186  0.401215  0.037119  1
  P  P257  1  0.373186  0.901215  0.037119  1
  P  P258  1  0.873186  0.401215  0.037119  1
  P  P259  1  0.873186  0.901215  0.037119  1
  P  P260  1  0.233546  0.009314  0.157395  1
  P  P261  1  0.233546  0.509314  0.157395  1
  P  P262  1  0.733546  0.009314  0.157395  1
  P  P263  1  0.733546  0.509314  0.157395  1
  P  P264  1  0.268268  0.173603  0.854090  1
  P  P265  1  0.268268  0.673603  0.854090  1
  P  P266  1  0.768268  0.173603  0.854090  1
  P  P267  1  0.768268  0.673603  0.854090  1
  P  P268  1  0.283740  0.331749  0.905827  1
  P  P269  1  0.283740  0.831749  0.905827  1
  P  P270  1  0.783740  0.331749  0.905827  1
  P  P271  1  0.783740  0.831749  0.905827  1
  P  P272  1  0.379978  0.034288  0.975752  1
  P  P273  1  0.379978  0.534288  0.975752  1
  P  P274  1  0.879978  0.034288  0.975752  1
  P  P275  1  0.879978  0.534288  0.975752  1
  P  P276  1  0.151678  0.400871  0.466979  1
  P  P277  1  0.151469  0.901097  0.466841  1
  P  P278  1  0.651666  0.401325  0.467004  1
  P  P279  1  0.651559  0.901381  0.466953  1
  P  P280  1  0.409162  0.457717  0.905764  1
  P  P281  1  0.409162  0.957717  0.905764  1
  P  P282  1  0.909162  0.457717  0.905764  1
  P  P283  1  0.909162  0.957717  0.905764  1
  P  P284  1  0.485111  0.086819  0.598137  1
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  P  P301  1  0.144744  0.533997  0.528165  1
  P  P302  1  0.644850  0.034766  0.528211  1
  P  P303  1  0.644943  0.534609  0.528335  1
  P  P304  1  0.402202  0.152130  0.467261  1
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  P  P311  1  0.989909  0.893466  0.098642  1
  P  P312  1  0.254345  0.065948  0.475590  1
  P  P313  1  0.254884  0.566233  0.475899  1
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  P  P320  1  0.283840  0.143619  0.405887  1
  P  P321  1  0.283656  0.643639  0.405886  1
  P  P322  1  0.783702  0.143657  0.405766  1
  P  P323  1  0.783639  0.643715  0.405835  1
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  P  P327  1  0.879994  0.546021  0.649636  1
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  P  P329  1  0.507436  0.928968  0.648847  1
  P  P330  1  1.008010  0.424633  0.649146  1
  P  P331  1  1.007079  0.923902  0.649186  1
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  P  P335  1  0.747633  0.700308  0.537209  1
