# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.73719463
_cell_length_b   15.56361728
_cell_length_c   41.84336940
_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   13422.1050587
_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  0.279690  0.204138  0.966506  1
  P  P2  1  0.277031  0.699047  0.967514  1
  P  P3  1  0.777286  0.199008  0.967345  1
  P  P4  1  0.776209  0.698982  0.967161  1
  P  P5  1  0.129667  0.283842  0.975333  1
  P  P6  1  0.129518  0.784107  0.975470  1
  P  P7  1  0.630053  0.283633  0.975431  1
  P  P8  1  0.628869  0.783289  0.975540  1
  P  P9  1  0.017243  0.050695  0.354781  1
  P  P10  1  0.017243  0.550695  0.354781  1
  P  P11  1  0.517243  0.050695  0.354781  1
  P  P12  1  0.517243  0.550695  0.354781  1
  P  P13  1  0.270000  0.408888  0.528384  1
  P  P14  1  0.270000  0.908888  0.528384  1
  P  P15  1  0.770000  0.408888  0.528384  1
  P  P16  1  0.770000  0.908888  0.528384  1
  P  P17  1  0.020220  0.159049  0.528895  1
  P  P18  1  0.020220  0.659049  0.528895  1
  P  P19  1  0.520220  0.159049  0.528895  1
  P  P20  1  0.520220  0.659049  0.528895  1
  P  P21  1  0.402510  0.822889  0.966753  1
  P  P22  1  0.902138  0.323586  0.966970  1
  P  P23  1  0.901926  0.823460  0.967001  1
  P  P24  1  0.263350  0.042532  0.589111  1
  P  P25  1  0.263350  0.542532  0.589111  1
  P  P26  1  0.763350  0.042532  0.589111  1
  P  P27  1  0.763350  0.542532  0.589111  1
  P  P28  1  0.268177  0.301780  0.354233  1
  P  P29  1  0.268177  0.801780  0.354233  1
  P  P30  1  0.768177  0.301780  0.354233  1
  P  P31  1  0.768177  0.801780  0.354233  1
  P  P32  1  0.240946  0.331787  0.598432  1
  P  P33  1  0.240946  0.831787  0.598432  1
  P  P34  1  0.740946  0.331787  0.598432  1
  P  P35  1  0.740946  0.831787  0.598432  1
  P  P36  1  0.115525  0.457761  0.598502  1
  P  P37  1  0.115525  0.957761  0.598502  1
  P  P38  1  0.615525  0.457761  0.598502  1
  P  P39  1  0.615525  0.957761  0.598502  1
  P  P40  1  0.373067  0.074174  0.537298  1
  P  P41  1  0.373067  0.574174  0.537298  1
  P  P42  1  0.873067  0.074174  0.537298  1
  P  P43  1  0.873067  0.574174  0.537298  1
  P  P44  1  0.387987  0.060053  0.089890  1
  P  P45  1  0.387946  0.558713  0.089749  1
  P  P46  1  0.887989  0.059437  0.090191  1
  P  P47  1  0.888009  0.559491  0.090230  1
  P  P48  1  0.143935  0.046481  0.854467  1
  P  P49  1  0.149438  0.541198  0.854508  1
  P  P50  1  0.646076  0.044011  0.854633  1
  P  P51  1  0.643689  0.544965  0.854611  1
  P  P52  1  0.507716  0.050422  0.149595  1
  P  P53  1  0.506786  0.551045  0.149490  1
  P  P54  1  1.007181  0.051081  0.149580  1
  P  P55  1  1.007951  0.550555  0.149532  1
  P  P56  1  0.390267  0.301707  0.853598  1
  P  P57  1  0.391653  0.801913  0.854479  1
  P  P58  1  0.891213  0.302171  0.854144  1
  P  P59  1  0.890965  0.801020  0.854314  1
  P  P60  1  0.233423  0.466067  0.657599  1
  P  P61  1  0.233423  0.966067  0.657599  1
  P  P62  1  0.733423  0.466067  0.657599  1
  P  P63  1  0.733423  0.966067  0.657599  1
  P  P64  1  0.122445  0.323595  0.537422  1
  P  P65  1  0.122445  0.823595  0.537422  1
  P  P66  1  0.622445  0.323595  0.537422  1
  P  P67  1  0.622445  0.823595  0.537422  1
  P  P68  1  0.409058  0.017658  0.405905  1
  P  P69  1  0.409058  0.517658  0.405905  1
  P  P70  1  0.909058  0.017658  0.405905  1
  P  P71  1  0.909058  0.517658  0.405905  1
  P  P72  1  0.504251  0.161070  0.975357  1
  P  P73  1  0.504138  0.657873  0.975753  1
  P  P74  1  1.004591  0.159143  0.975617  1
  P  P75  1  1.004377  0.659114  0.975388  1
  P  P76  1  0.020345  0.316618  0.028837  1
  P  P77  1  0.020301  0.816516  0.028787  1
  P  P78  1  0.520950  0.315622  0.029572  1
  P  P79  1  0.520249  0.816495  0.028766  1
  P  P80  1  0.135679  0.416376  0.914545  1
  P  P81  1  0.137350  0.916390  0.914077  1
  P  P82  1  0.636022  0.415880  0.914041  1
  P  P83  1  0.636542  0.915466  0.914493  1
  P  P84  1  0.026450  0.448981  0.966811  1
  P  P85  1  0.027483  0.949104  0.966990  1
  P  P86  1  0.525038  0.444346  0.967783  1
  P  P87  1  0.526355  0.949328  0.966707  1
  P  P88  1  0.136719  0.059436  0.414179  1
  P  P89  1  0.136719  0.559436  0.414179  1
  P  P90  1  0.636719  0.059436  0.414179  1
  P  P91  1  0.636719  0.559436  0.414179  1
  P  P92  1  0.138258  0.166093  0.590736  1
  P  P93  1  0.138258  0.666093  0.590736  1
  P  P94  1  0.638258  0.166093  0.590736  1
  P  P95  1  0.638258  0.666093  0.590736  1
  P  P96  1  0.145648  0.430635  0.354395  1
  P  P97  1  0.145648  0.930635  0.354395  1
  P  P98  1  0.645648  0.430635  0.354395  1
  P  P99  1  0.645648  0.930635  0.354395  1
  P  P100  1  1.011126  0.184024  0.413967  1
  P  P101  1  1.011126  0.684024  0.413967  1
  P  P102  1  0.511126  0.184024  0.413967  1
  P  P103  1  0.511126  0.684024  0.413967  1
  P  P104  1  0.378408  0.430898  0.149803  1
  P  P105  1  0.379396  0.930842  0.149723  1
  P  P106  1  0.879417  0.430661  0.150056  1
  P  P107  1  0.878807  0.930848  0.149986  1
  P  P108  1  0.391346  0.173694  0.354102  1
  P  P109  1  0.391346  0.673694  0.354102  1
  P  P110  1  0.891346  0.173694  0.354102  1
  P  P111  1  0.891346  0.673694  0.354102  1
  P  P112  1  0.247308  0.276573  0.036725  1
  P  P113  1  0.247665  0.775616  0.037499  1
  P  P114  1  0.747820  0.275791  0.037439  1
  P  P115  1  0.747619  0.775927  0.037302  1
  P  P116  1  0.240893  0.144148  0.097785  1
  P  P117  1  0.241359  0.643007  0.098661  1
  P  P118  1  0.741243  0.143415  0.098651  1
  P  P119  1  0.741082  0.643640  0.098442  1
  P  P120  1  0.395239  0.283784  0.528966  1
  P  P121  1  0.395239  0.783784  0.528966  1
  P  P122  1  0.895239  0.283784  0.528966  1
  P  P123  1  0.895239  0.783784  0.528966  1
  P  P124  1  0.026912  0.026668  0.466949  1
  P  P125  1  0.026912  0.526668  0.466949  1
  P  P126  1  0.526912  0.026668  0.466949  1
  P  P127  1  0.526912  0.526668  0.466949  1
  P  P128  1  0.133293  0.174003  0.150149  1
  P  P129  1  0.133666  0.673602  0.150105  1
  P  P130  1  0.633570  0.173409  0.150470  1
  P  P131  1  0.633280  0.673552  0.150370  1
  P  P132  1  1.010845  0.291260  0.913925  1
  P  P133  1  1.011214  0.791552  0.914096  1
  P  P134  1  0.513159  0.290337  0.912841  1
  P  P135  1  0.510112  0.791093  0.914227  1
  P  P136  1  0.387864  0.415982  0.590228  1
  P  P137  1  0.387864  0.915982  0.590228  1
  P  P138  1  0.887864  0.415982  0.590228  1
  P  P139  1  0.887864  0.915982  0.590228  1
  P  P140  1  0.365856  0.206515  0.599063  1
  P  P141  1  0.365856  0.706515  0.599063  1
  P  P142  1  0.865856  0.206515  0.599063  1
  P  P143  1  0.865856  0.706515  0.599063  1
  P  P144  1  0.158727  0.268903  0.405344  1
  P  P145  1  0.158727  0.768903  0.405344  1
  P  P146  1  0.658727  0.268903  0.405344  1
  P  P147  1  0.658727  0.768903  0.405344  1
  P  P148  1  0.497672  0.448751  0.537458  1
  P  P149  1  0.497672  0.948751  0.537458  1
  P  P150  1  0.997672  0.448751  0.537458  1
  P  P151  1  0.997672  0.948751  0.537458  1
  P  P152  1  0.497737  0.027411  0.037113  1
  P  P153  1  0.498201  0.526924  0.037823  1
  P  P154  1  0.997898  0.026566  0.037578  1
  P  P155  1  0.997548  0.526859  0.037308  1
  P  P156  1  0.034804  0.081964  0.905872  1
  P  P157  1  0.034722  0.582016  0.905127  1
  P  P158  1  0.534419  0.081958  0.905634  1
  P  P159  1  0.533315  0.580025  0.906602  1
  P  P160  1  0.277013  0.275920  0.467153  1
  P  P161  1  0.277013  0.775920  0.467153  1
  P  P162  1  0.777013  0.275920  0.467153  1
  P  P163  1  0.777013  0.775920  0.467153  1
  P  P164  1  0.254446  0.410048  0.975169  1
  P  P165  1  0.254649  0.908778  0.976447  1
  P  P166  1  0.754600  0.408736  0.976121  1
  P  P167  1  0.754584  0.908586  0.976134  1
  P  P168  1  0.291160  0.009352  0.346808  1
  P  P169  1  0.291160  0.509352  0.346808  1
  P  P170  1  0.791160  0.009352  0.346808  1
  P  P171  1  0.791160  0.509352  0.346808  1
  P  P172  1  0.034811  0.393494  0.405573  1
  P  P173  1  0.034811  0.893494  0.405573  1
  P  P174  1  0.534811  0.393494  0.405573  1
  P  P175  1  0.534811  0.893494  0.405573  1
  P  P176  1  0.270638  0.068199  0.027732  1
  P  P177  1  0.269971  0.565924  0.028388  1
  P  P178  1  0.770022  0.066341  0.028464  1
  P  P179  1  0.769861  0.566344  0.028398  1
  P  P180  1  0.365975  0.269413  0.098224  1
  P  P181  1  0.365872  0.768876  0.099115  1
  P  P182  1  0.866050  0.268842  0.099169  1
  P  P183  1  0.866031  0.768916  0.099078  1
  P  P184  1  0.152812  0.075538  0.967078  1
  P  P185  1  0.151157  0.574614  0.967046  1
  P  P186  1  0.651246  0.074064  0.967165  1
  P  P187  1  0.650286  0.572468  0.967374  1
  P  P188  1  0.129344  0.191635  0.475441  1
  P  P189  1  0.129344  0.691635  0.475441  1
  P  P190  1  0.629344  0.191635  0.475441  1
  P  P191  1  0.629344  0.691635  0.475441  1
  P  P192  1  0.257439  0.299893  0.149973  1
  P  P193  1  0.255869  0.803731  0.149776  1
  P  P194  1  0.756689  0.302077  0.150326  1
  P  P195  1  0.756740  0.801144  0.150248  1
  P  P196  1  0.395737  0.192170  0.028316  1
  P  P197  1  0.395310  0.692111  0.029153  1
  P  P198  1  0.895447  0.191660  0.029029  1
  P  P199  1  0.895098  0.691607  0.028872  1
  P  P200  1  0.261846  0.042897  0.915755  1
  P  P201  1  0.261022  0.543858  0.915149  1
  P  P202  1  0.761450  0.041860  0.915483  1
  P  P203  1  0.760560  0.542223  0.915425  1
  P  P204  1  0.261233  0.432887  0.415296  1
  P  P205  1  0.261233  0.932887  0.415296  1
  P  P206  1  0.761233  0.432887  0.415296  1
  P  P207  1  0.761233  0.932887  0.415296  1
  P  P208  1  0.018043  0.424569  0.854721  1
  P  P209  1  0.016700  0.924689  0.854981  1
  P  P210  1  0.512211  0.429061  0.854719  1
  P  P211  1  0.518037  0.923886  0.855137  1
  P  P212  1  0.256406  0.173638  0.650174  1
  P  P213  1  0.256406  0.673638  0.650174  1
  P  P214  1  0.756406  0.173638  0.650174  1
  P  P215  1  0.756406  0.673638  0.650174  1
  P  P216  1  0.504363  0.316370  0.475512  1
  P  P217  1  0.504363  0.816370  0.475512  1
  P  P218  1  1.004363  0.316370  0.475512  1
  P  P219  1  1.004363  0.816370  0.475512  1
  P  P220  1  0.304064  0.479922  0.847512  1
  P  P221  1  0.283788  0.956511  0.846899  1
  P  P222  1  0.788705  0.464486  0.846941  1
  P  P223  1  0.791731  0.966104  0.846921  1
  P  P224  1  0.386583  0.171717  0.914924  1
  P  P225  1  0.385895  0.662952  0.912925  1
  P  P226  1  0.886296  0.165789  0.913731  1
  P  P227  1  0.886101  0.666006  0.913824  1
  P  P228  1  0.263656  0.432381  0.088781  1
  P  P229  1  0.263578  0.933816  0.088721  1
  P  P230  1  0.763579  0.432895  0.089224  1
  P  P231  1  0.763388  0.932762  0.089132  1
  P  P232  1  0.159213  0.206601  0.905349  1
  P  P233  1  0.158051  0.706468  0.905295  1
  P  P234  1  0.659431  0.205604  0.905453  1
  P  P235  1  0.657442  0.705535  0.905612  1
  P  P236  1  0.513575  0.183851  0.090520  1
  P  P237  1  0.513528  0.684374  0.090533  1
  P  P238  1  0.013683  0.184152  0.090397  1
  P  P239  1  0.013468  0.684200  0.090338  1
  P  P240  1  0.115874  0.017526  0.098683  1
  P  P241  1  0.115368  0.517856  0.098065  1
  P  P242  1  0.615553  0.017866  0.098332  1
  P  P243  1  0.615775  0.517452  0.098771  1
  P  P244  1  0.513457  0.291394  0.590440  1
  P  P245  1  0.513457  0.791394  0.590440  1
  P  P246  1  0.013457  0.291394  0.590440  1
  P  P247  1  0.013457  0.791394  0.590440  1
  P  P248  1  0.133237  0.301724  0.650306  1
  P  P249  1  0.133237  0.801724  0.650306  1
  P  P250  1  0.633237  0.301724  0.650306  1
  P  P251  1  0.633237  0.801724  0.650306  1
  P  P252  1  0.379873  0.441100  0.475918  1
  P  P253  1  0.379873  0.941100  0.475918  1
  P  P254  1  0.879873  0.441100  0.475918  1
  P  P255  1  0.879873  0.941100  0.475918  1
  P  P256  1  0.373599  0.400353  0.036114  1
  P  P257  1  0.373208  0.901471  0.037143  1
  P  P258  1  0.873131  0.401243  0.037313  1
  P  P259  1  0.873219  0.901143  0.037381  1
  P  P260  1  0.235362  0.012118  0.157397  1
  P  P261  1  0.231451  0.506249  0.157288  1
  P  P262  1  0.732700  0.008170  0.157619  1
  P  P263  1  0.734266  0.509960  0.157726  1
  P  P264  1  0.271106  0.167012  0.854704  1
  P  P265  1  0.265307  0.680836  0.853690  1
  P  P266  1  0.768412  0.173494  0.854307  1
  P  P267  1  0.767438  0.672539  0.854518  1
  P  P268  1  0.279768  0.334397  0.903100  1
  P  P269  1  0.284490  0.830752  0.907331  1
  P  P270  1  0.783640  0.331456  0.906247  1
  P  P271  1  0.782935  0.831109  0.905973  1
  P  P272  1  0.380112  0.033849  0.975620  1
  P  P273  1  0.379730  0.535477  0.976399  1
  P  P274  1  0.880200  0.034115  0.976088  1
  P  P275  1  0.879668  0.534281  0.975852  1
  P  P276  1  0.151517  0.401244  0.467109  1
  P  P277  1  0.151517  0.901244  0.467109  1
  P  P278  1  0.651517  0.401244  0.467109  1
  P  P279  1  0.651517  0.901244  0.467109  1
  P  P280  1  0.408991  0.450820  0.908925  1
  P  P281  1  0.407615  0.960556  0.905081  1
  P  P282  1  0.908728  0.458050  0.905639  1
  P  P283  1  0.908914  0.957285  0.906113  1
  P  P284  1  0.489772  0.081924  0.598834  1
  P  P285  1  0.489772  0.581924  0.598834  1
  P  P286  1  0.989772  0.081924  0.598834  1
  P  P287  1  0.989772  0.581924  0.598834  1
  P  P288  1  0.122357  0.152022  0.037410  1
  P  P289  1  0.122555  0.651872  0.037340  1
  P  P290  1  0.622716  0.151896  0.037405  1
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  P  P292  1  0.138485  0.309834  0.090708  1
  P  P293  1  0.138361  0.809307  0.090465  1
  P  P294  1  0.638598  0.309051  0.091037  1
  P  P295  1  0.638346  0.809511  0.090854  1
  P  P296  1  0.386325  0.309326  0.413672  1
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  P  P299  1  0.886325  0.809326  0.413672  1
  P  P300  1  0.144711  0.034319  0.528489  1
  P  P301  1  0.144711  0.534319  0.528489  1
  P  P302  1  0.644711  0.034319  0.528489  1
  P  P303  1  0.644711  0.534319  0.528489  1
  P  P304  1  0.402138  0.151823  0.466986  1
  P  P305  1  0.402138  0.651823  0.466986  1
  P  P306  1  0.902138  0.151823  0.466986  1
  P  P307  1  0.902138  0.651823  0.466986  1
  P  P308  1  0.489666  0.393554  0.098809  1
  P  P309  1  0.489734  0.893915  0.098509  1
  P  P310  1  0.989850  0.393501  0.098754  1
  P  P311  1  0.989980  0.893528  0.098903  1
  P  P312  1  0.254583  0.066531  0.476023  1
  P  P313  1  0.254583  0.566531  0.476023  1
  P  P314  1  0.754583  0.066531  0.476023  1
  P  P315  1  0.754583  0.566531  0.476023  1
  P  P316  1  0.144645  0.441157  0.028139  1
  P  P317  1  0.145047  0.941900  0.028458  1
  P  P318  1  0.644661  0.440623  0.028721  1
  P  P319  1  0.644600  0.940921  0.028411  1
  P  P320  1  0.283637  0.143631  0.405975  1
  P  P321  1  0.283637  0.643631  0.405975  1
  P  P322  1  0.783637  0.143631  0.405975  1
  P  P323  1  0.783637  0.643631  0.405975  1
  P  P324  1  0.378935  0.044783  0.650012  1
  P  P325  1  0.378935  0.544783  0.650012  1
  P  P326  1  0.878935  0.044783  0.650012  1
  P  P327  1  0.878935  0.544783  0.650012  1
  P  P328  1  0.507340  0.424724  0.649626  1
  P  P329  1  0.507340  0.924724  0.649626  1
  P  P330  1  1.007340  0.424724  0.649626  1
  P  P331  1  1.007340  0.924724  0.649626  1
  P  P332  1  0.247570  0.199498  0.537254  1
  P  P333  1  0.247570  0.699498  0.537254  1
  P  P334  1  0.747570  0.199498  0.537254  1
  P  P335  1  0.747570  0.699498  0.537254  1
