# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   34.79244727
_cell_length_b   85.11099537
_cell_length_c   48.02580329
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.05682063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P1512
_cell_volume   140029.83628
_cell_formula_units_Z   1512
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  0.914214  0.045882  0.401906  1
  P  P2  1  0.643630  0.039829  0.302761  1
  P  P3  1  0.279616  0.043087  0.352352  1
  P  P4  1  0.279616  0.543087  0.352352  1
  P  P5  1  0.914214  0.545882  0.401906  1
  P  P6  1  0.643630  0.539829  0.302761  1
  P  P7  1  0.008339  0.041429  0.407566  1
  P  P8  1  0.736921  0.034515  0.309027  1
  P  P9  1  0.372725  0.038519  0.358416  1
  P  P10  1  0.372725  0.538519  0.358416  1
  P  P11  1  0.008339  0.541429  0.407566  1
  P  P12  1  0.736921  0.534515  0.309027  1
  P  P13  1  0.088804  0.352758  0.406291  1
  P  P14  1  0.829399  0.346575  0.313930  1
  P  P15  1  0.459630  0.350141  0.360599  1
  P  P16  1  0.459630  0.850141  0.360599  1
  P  P17  1  0.088804  0.852758  0.406291  1
  P  P18  1  0.829399  0.846575  0.313930  1
  P  P19  1  0.016490  0.255761  0.286134  1
  P  P20  1  0.648008  0.261656  0.329716  1
  P  P21  1  0.279817  0.264747  0.377690  1
  P  P22  1  0.279817  0.764747  0.377690  1
  P  P23  1  0.016490  0.755761  0.286134  1
  P  P24  1  0.648008  0.761656  0.329716  1
  P  P25  1  0.095766  0.265952  0.402591  1
  P  P26  1  0.831857  0.258951  0.306588  1
  P  P27  1  0.463849  0.263290  0.353916  1
  P  P28  1  0.463849  0.763290  0.353916  1
  P  P29  1  0.095766  0.765952  0.402591  1
  P  P30  1  0.831857  0.758951  0.306588  1
  P  P31  1  0.869322  0.042146  0.340844  1
  P  P32  1  0.505734  0.045661  0.389564  1
  P  P33  1  0.235069  0.039371  0.291215  1
  P  P34  1  0.235069  0.539371  0.291215  1
  P  P35  1  0.869322  0.542146  0.340844  1
  P  P36  1  0.505734  0.545661  0.389564  1
  P  P37  1  0.936435  0.234727  0.398904  1
  P  P38  1  0.673430  0.229118  0.303178  1
  P  P39  1  0.305807  0.232586  0.350333  1
  P  P40  1  0.305807  0.732586  0.350333  1
  P  P41  1  0.936435  0.734727  0.398904  1
  P  P42  1  0.673430  0.729118  0.303178  1
  P  P43  1  0.026441  0.352789  0.354082  1
  P  P44  1  0.643825  0.348293  0.336218  1
  P  P45  1  0.274195  0.352148  0.385490  1
  P  P46  1  0.274195  0.852148  0.385490  1
  P  P47  1  0.026441  0.852789  0.354082  1
  P  P48  1  0.643825  0.848293  0.336218  1
  P  P49  1  0.013254  0.223006  0.324232  1
  P  P50  1  0.642016  0.228913  0.367546  1
  P  P51  1  0.272594  0.231445  0.415383  1
  P  P52  1  0.272594  0.731445  0.415383  1
  P  P53  1  0.013254  0.723006  0.324232  1
  P  P54  1  0.642016  0.728913  0.367546  1
  P  P55  1  0.103124  0.226585  0.307074  1
  P  P56  1  0.734314  0.227711  0.355636  1
  P  P57  1  0.365453  0.231046  0.402819  1
  P  P58  1  0.365453  0.731046  0.402819  1
  P  P59  1  0.103124  0.726585  0.307074  1
  P  P60  1  0.734314  0.727711  0.355636  1
  P  P61  1  0.891900  0.257716  0.359902  1
  P  P62  1  0.523890  0.262080  0.406961  1
  P  P63  1  0.261107  0.255982  0.311857  1
  P  P64  1  0.261107  0.755982  0.311857  1
  P  P65  1  0.891900  0.757716  0.359902  1
  P  P66  1  0.523890  0.762080  0.406961  1
  P  P67  1  0.912085  0.481553  0.289142  1
  P  P68  1  0.546686  0.482210  0.340108  1
  P  P69  1  0.183329  0.485151  0.388305  1
  P  P70  1  0.183329  0.985151  0.388305  1
  P  P71  1  0.912085  0.981553  0.289142  1
  P  P72  1  0.546686  0.982210  0.340108  1
  P  P73  1  0.057563  0.091311  0.308587  1
  P  P74  1  0.693900  0.097532  0.358590  1
  P  P75  1  0.329428  0.101300  0.407959  1
  P  P76  1  0.329428  0.601300  0.407959  1
  P  P77  1  0.057563  0.591311  0.308587  1
  P  P78  1  0.693900  0.597532  0.358590  1
  P  P79  1  0.848168  0.450627  0.277771  1
  P  P80  1  0.474694  0.452008  0.327996  1
  P  P81  1  0.112628  0.455428  0.374762  1
  P  P82  1  0.112628  0.955428  0.374762  1
  P  P83  1  0.848168  0.950627  0.277771  1
  P  P84  1  0.474694  0.952008  0.327996  1
  P  P85  1  0.880853  0.095583  0.333662  1
  P  P86  1  0.515584  0.099816  0.382617  1
  P  P87  1  0.242523  0.089286  0.285368  1
  P  P88  1  0.242523  0.589286  0.285368  1
  P  P89  1  0.880853  0.595583  0.333662  1
  P  P90  1  0.515584  0.599816  0.382617  1
  P  P91  1  0.057426  0.191560  0.307934  1
  P  P92  1  0.667975  0.197265  0.340324  1
  P  P93  1  0.299505  0.199805  0.387552  1
  P  P94  1  0.299505  0.699805  0.387552  1
  P  P95  1  0.057426  0.691560  0.307934  1
  P  P96  1  0.667975  0.697265  0.340324  1
  P  P97  1  0.076615  0.257109  0.336926  1
  P  P98  1  0.708219  0.260197  0.383184  1
  P  P99  1  0.446384  0.254800  0.289706  1
  P  P100  1  0.446384  0.754800  0.289706  1
  P  P101  1  0.076615  0.757109  0.336926  1
  P  P102  1  0.708219  0.760197  0.383184  1
  P  P103  1  0.871843  0.322795  0.350810  1
  P  P104  1  0.503952  0.327011  0.397537  1
  P  P105  1  0.240199  0.320219  0.302648  1
  P  P106  1  0.240199  0.820219  0.302648  1
  P  P107  1  0.871843  0.822795  0.350810  1
  P  P108  1  0.503952  0.827011  0.397537  1
  P  P109  1  0.781450  0.039111  0.370063  1
  P  P110  1  0.417609  0.042617  0.419646  1
  P  P111  1  0.145903  0.035533  0.321101  1
  P  P112  1  0.145903  0.535533  0.321101  1
  P  P113  1  0.781450  0.539111  0.370063  1
  P  P114  1  0.417609  0.542617  0.419646  1
  P  P115  1  0.165820  0.508166  0.279911  1
  P  P116  1  0.799566  0.511082  0.327673  1
  P  P117  1  0.435140  0.514648  0.376604  1
  P  P118  1  0.435140  0.014648  0.376604  1
  P  P119  1  0.165820  0.008166  0.279911  1
  P  P120  1  0.799566  0.011082  0.327673  1
  P  P121  1  0.032980  0.067661  0.358353  1
  P  P122  1  0.669942  0.071736  0.407484  1
  P  P123  1  0.399210  0.064236  0.308966  1
  P  P124  1  0.399210  0.564236  0.308966  1
  P  P125  1  0.032980  0.567661  0.358353  1
  P  P126  1  0.669942  0.571736  0.407484  1
  P  P127  1  0.097246  0.044857  0.376640  1
  P  P128  1  0.825130  0.037828  0.280724  1
  P  P129  1  0.461711  0.041655  0.328296  1
  P  P130  1  0.461711  0.541655  0.328296  1
  P  P131  1  0.097246  0.544857  0.376640  1
  P  P132  1  0.825130  0.537828  0.280724  1
  P  P133  1  0.023545  0.321255  0.391669  1
  P  P134  1  0.763292  0.315946  0.297117  1
  P  P135  1  0.393556  0.319184  0.343797  1
  P  P136  1  0.393556  0.819184  0.343797  1
  P  P137  1  0.023545  0.821255  0.391669  1
  P  P138  1  0.763292  0.815946  0.297117  1
  P  P139  1  0.029342  0.234734  0.387825  1
  P  P140  1  0.765153  0.228131  0.292848  1
  P  P141  1  0.397734  0.231513  0.337228  1
  P  P142  1  0.397734  0.731513  0.337228  1
  P  P143  1  0.029342  0.734734  0.387825  1
  P  P144  1  0.765153  0.728131  0.292848  1
  P  P145  1  0.997176  0.353682  0.418588  1
  P  P146  1  0.736149  0.347247  0.324022  1
  P  P147  1  0.365819  0.350698  0.369599  1
  P  P148  1  0.365819  0.850698  0.369599  1
  P  P149  1  0.997176  0.853682  0.418588  1
  P  P150  1  0.736149  0.847247  0.324022  1
  P  P151  1  0.115890  0.321285  0.379075  1
  P  P152  1  0.855382  0.315036  0.286081  1
  P  P153  1  0.485495  0.318527  0.331526  1
  P  P154  1  0.485495  0.818527  0.331526  1
  P  P155  1  0.115890  0.821285  0.379075  1
  P  P156  1  0.855382  0.815036  0.286081  1
  P  P157  1  0.892588  0.454000  0.336056  1
  P  P158  1  0.523293  0.455460  0.387783  1
  P  P159  1  0.349070  0.445871  0.300643  1
  P  P160  1  0.349070  0.945871  0.300643  1
  P  P161  1  0.892588  0.954000  0.336056  1
  P  P162  1  0.523293  0.955460  0.387783  1
  P  P163  1  0.920620  0.345580  0.302261  1
  P  P164  1  0.551573  0.349511  0.348320  1
  P  P165  1  0.181456  0.352438  0.396081  1
  P  P166  1  0.181456  0.852438  0.396081  1
  P  P167  1  0.920620  0.845580  0.302261  1
  P  P168  1  0.551573  0.849511  0.348320  1
  P  P169  1  0.937584  0.510219  0.395877  1
  P  P170  1  0.665586  0.503669  0.297372  1
  P  P171  1  0.302524  0.507320  0.346199  1
  P  P172  1  0.302524  0.007320  0.346199  1
  P  P173  1  0.937584  0.010219  0.395877  1
  P  P174  1  0.665586  0.003669  0.297372  1
  P  P175  1  1.002419  0.474726  0.298115  1
  P  P176  1  0.639921  0.477581  0.346524  1
  P  P177  1  0.276358  0.480426  0.394924  1
  P  P178  1  0.276358  0.980426  0.394924  1
  P  P179  1  1.002419  0.974726  0.298115  1
  P  P180  1  0.639921  0.977581  0.346524  1
  P  P181  1  0.924194  0.257427  0.296108  1
  P  P182  1  0.555525  0.262414  0.341083  1
  P  P183  1  0.187925  0.265203  0.390104  1
  P  P184  1  0.187925  0.765203  0.390104  1
  P  P185  1  0.924194  0.757427  0.296108  1
  P  P186  1  0.555525  0.762414  0.341083  1
  P  P187  1  0.174735  0.289215  0.287780  1
  P  P188  1  0.806242  0.291632  0.333754  1
  P  P189  1  0.438153  0.295748  0.381469  1
  P  P190  1  0.438153  0.795748  0.381469  1
  P  P191  1  0.174735  0.789215  0.287780  1
  P  P192  1  0.806242  0.791632  0.333754  1
  P  P193  1  0.066677  0.453034  0.314577  1
  P  P194  1  0.701595  0.454291  0.363379  1
  P  P195  1  0.337911  0.456870  0.413504  1
  P  P196  1  0.337911  0.956870  0.413504  1
  P  P197  1  0.066677  0.953034  0.314577  1
  P  P198  1  0.701595  0.954291  0.363379  1
  P  P199  1  0.078939  0.072598  0.419562  1
  P  P200  1  0.807417  0.065924  0.321303  1
  P  P201  1  0.443561  0.069342  0.370708  1
  P  P202  1  0.443561  0.569342  0.370708  1
  P  P203  1  0.078939  0.572598  0.419562  1
  P  P204  1  0.807417  0.565924  0.321303  1
  P  P205  1  0.844160  0.234893  0.410009  1
  P  P206  1  0.581974  0.230208  0.314666  1
  P  P207  1  0.213359  0.232723  0.361822  1
  P  P208  1  0.213359  0.732723  0.361822  1
  P  P209  1  0.844160  0.734893  0.410009  1
  P  P210  1  0.581974  0.730208  0.314666  1
  P  P211  1  0.920728  0.225130  0.333409  1
  P  P212  1  0.549857  0.229737  0.379187  1
  P  P213  1  0.287716  0.223634  0.286323  1
  P  P214  1  0.287716  0.723634  0.286323  1
  P  P215  1  0.920728  0.725130  0.333409  1
  P  P216  1  0.549857  0.729737  0.379187  1
  P  P217  1  0.055571  0.321260  0.326348  1
  P  P218  1  0.689058  0.325680  0.374039  1
  P  P219  1  0.320272  0.329062  0.422069  1
  P  P220  1  0.320272  0.829062  0.422069  1
  P  P221  1  0.055571  0.821260  0.326348  1
  P  P222  1  0.689058  0.825680  0.374039  1
  P  P223  1  0.800137  0.258737  0.371239  1
  P  P224  1  0.431497  0.262645  0.419155  1
  P  P225  1  0.169249  0.256734  0.323945  1
  P  P226  1  0.169249  0.756734  0.323945  1
  P  P227  1  0.800137  0.758737  0.371239  1
  P  P228  1  0.431497  0.762645  0.419155  1
  P  P229  1  0.755609  0.511835  0.419338  1
  P  P230  1  0.484814  0.505965  0.321505  1
  P  P231  1  0.120829  0.508895  0.370071  1
  P  P232  1  0.120829  0.008895  0.370071  1
  P  P233  1  0.755609  0.011835  0.419338  1
  P  P234  1  0.484814  0.005965  0.321505  1
  P  P235  1  0.123730  0.071266  0.327845  1
  P  P236  1  0.757972  0.074789  0.376316  1
  P  P237  1  0.487861  0.067638  0.281079  1
  P  P238  1  0.487861  0.567638  0.281079  1
  P  P239  1  0.123730  0.571266  0.327845  1
  P  P240  1  0.757972  0.574789  0.376316  1
  P  P241  1  0.990437  0.289020  0.310366  1
  P  P242  1  0.622350  0.294273  0.358155  1
  P  P243  1  0.253452  0.297121  0.406065  1
  P  P244  1  0.253452  0.797121  0.406065  1
  P  P245  1  0.990437  0.789020  0.310366  1
  P  P246  1  0.622350  0.794273  0.358155  1
  P  P247  1  0.962671  0.036543  0.346437  1
  P  P248  1  0.599407  0.040411  0.395834  1
  P  P249  1  0.327396  0.033761  0.297182  1
  P  P250  1  0.327396  0.533761  0.297182  1
  P  P251  1  0.962671  0.536543  0.346437  1
  P  P252  1  0.599407  0.540411  0.395834  1
  P  P253  1  0.935145  0.354175  0.366875  1
  P  P254  1  0.567121  0.358014  0.414368  1
  P  P255  1  0.300114  0.351695  0.321379  1
  P  P256  1  0.300114  0.851695  0.321379  1
  P  P257  1  0.935145  0.854175  0.366875  1
  P  P258  1  0.567121  0.858014  0.414368  1
  P  P259  1  0.147695  0.320723  0.314337  1
  P  P260  1  0.780513  0.324380  0.362362  1
  P  P261  1  0.411723  0.328314  0.409514  1
  P  P262  1  0.411723  0.828314  0.409514  1
  P  P263  1  0.147695  0.820723  0.314337  1
  P  P264  1  0.780513  0.824380  0.362362  1
  P  P265  1  0.983317  0.510955  0.302054  1
  P  P266  1  0.617315  0.513183  0.351905  1
  P  P267  1  0.253375  0.516214  0.401459  1
  P  P268  1  0.253375  0.016214  0.401459  1
  P  P269  1  0.983317  0.010955  0.302054  1
  P  P270  1  0.617315  0.013183  0.351905  1
  P  P271  1  0.867037  0.478927  0.382445  1
  P  P272  1  0.594774  0.473737  0.286019  1
  P  P273  1  0.233058  0.476605  0.333496  1
  P  P274  1  0.233058  0.976605  0.333496  1
  P  P275  1  0.867037  0.978927  0.382445  1
  P  P276  1  0.594774  0.973737  0.286019  1
  P  P277  1  0.053529  0.041014  0.315055  1
  P  P278  1  0.688100  0.043653  0.364431  1
  P  P279  1  0.323888  0.047281  0.413748  1
  P  P280  1  0.323888  0.547281  0.413748  1
  P  P281  1  0.053529  0.541014  0.315055  1
  P  P282  1  0.688100  0.543653  0.364431  1
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  P  P1432  1  0.979331  0.593492  0.682300  1
  P  P1433  1  0.709564  0.588334  0.584241  1
  P  P1434  1  0.344156  0.590505  0.633239  1
  P  P1435  1  0.614398  0.245014  0.629616  1
  P  P1436  1  0.247215  0.248671  0.677641  1
  P  P1437  1  0.983188  0.241080  0.582464  1
  P  P1438  1  0.983188  0.741080  0.582464  1
  P  P1439  1  0.614398  0.745014  0.629616  1
  P  P1440  1  0.247215  0.748671  0.677641  1
  P  P1441  1  0.889177  0.523733  0.602415  1
  P  P1442  1  0.525588  0.527248  0.651134  1
  P  P1443  1  0.159842  0.530023  0.700764  1
  P  P1444  1  0.159842  0.030023  0.700764  1
  P  P1445  1  0.889177  0.023733  0.602415  1
  P  P1446  1  0.525588  0.027248  0.651134  1
  P  P1447  1  0.816612  0.507571  0.706362  1
  P  P1448  1  0.543095  0.499043  0.609171  1
  P  P1449  1  0.178982  0.503349  0.657400  1
  P  P1450  1  0.178982  0.003349  0.657400  1
  P  P1451  1  0.816612  0.007571  0.706362  1
  P  P1452  1  0.543095  0.999043  0.609171  1
  P  P1453  1  0.629758  0.341263  0.699130  1
  P  P1454  1  0.365569  0.334660  0.604153  1
  P  P1455  1  0.997177  0.337881  0.654750  1
  P  P1456  1  0.997177  0.837881  0.654750  1
  P  P1457  1  0.629758  0.841263  0.699130  1
  P  P1458  1  0.365569  0.834660  0.604153  1
  P  P1459  1  0.791063  0.283763  0.698457  1
  P  P1460  1  0.528940  0.279013  0.604397  1
  P  P1461  1  0.160066  0.281140  0.652025  1
  P  P1462  1  0.160066  0.781140  0.652025  1
  P  P1463  1  0.791063  0.783763  0.698457  1
  P  P1464  1  0.528940  0.779013  0.604397  1
  P  P1465  1  0.686692  0.309197  0.608794  1
  P  P1466  1  0.318296  0.312285  0.655052  1
  P  P1467  1  0.948526  0.314594  0.702272  1
  P  P1468  1  0.948526  0.814594  0.702272  1
  P  P1469  1  0.686692  0.809197  0.608794  1
  P  P1470  1  0.318296  0.812285  0.655052  1
  P  P1471  1  0.636939  0.494605  0.615662  1
  P  P1472  1  0.271181  0.498127  0.664133  1
  P  P1473  1  0.907050  0.501756  0.710899  1
  P  P1474  1  0.907050  1.001756  0.710899  1
  P  P1475  1  0.636939  0.994605  0.615662  1
  P  P1476  1  0.271181  0.998127  0.664133  1
  P  P1477  1  0.746902  0.307738  0.662262  1
  P  P1478  1  0.378421  0.313633  0.705844  1
  P  P1479  1  0.115093  0.304647  0.614288  1
  P  P1480  1  0.115093  0.804647  0.614288  1
  P  P1481  1  0.746902  0.807738  0.662262  1
  P  P1482  1  0.378421  0.813633  0.705844  1
  P  P1483  1  0.840716  0.533107  0.657759  1
  P  P1484  1  0.479918  0.537902  0.706466  1
  P  P1485  1  0.204560  0.529641  0.608884  1
  P  P1486  1  0.204560  0.029641  0.608884  1
  P  P1487  1  0.840716  0.033107  0.657759  1
  P  P1488  1  0.479918  0.037902  0.706466  1
  P  P1489  1  0.752895  0.340480  0.624432  1
  P  P1490  1  0.381657  0.346388  0.667746  1
  P  P1491  1  0.122317  0.337949  0.576595  1
  P  P1492  1  0.122317  0.837949  0.576595  1
  P  P1493  1  0.752895  0.840480  0.624432  1
  P  P1494  1  0.381657  0.846388  0.667746  1
  P  P1495  1  0.658762  0.222147  0.667956  1
  P  P1496  1  0.397735  0.215711  0.573390  1
  P  P1497  1  0.029091  0.218696  0.622379  1
  P  P1498  1  0.029091  0.718696  0.622379  1
  P  P1499  1  0.658762  0.722147  0.667956  1
  P  P1500  1  0.397735  0.715711  0.573390  1
  P  P1501  1  0.565511  0.222819  0.678048  1
  P  P1502  1  0.306106  0.216636  0.585687  1
  P  P1503  1  0.935281  0.219253  0.631379  1
  P  P1504  1  0.935281  0.719253  0.631379  1
  P  P1505  1  0.565511  0.722819  0.678048  1
  P  P1506  1  0.306106  0.716636  0.585687  1
  P  P1507  1  0.772560  0.275121  0.633823  1
  P  P1508  1  0.404474  0.280374  0.681612  1
  P  P1509  1  0.141459  0.272273  0.585913  1
  P  P1510  1  0.141459  0.772273  0.585913  1
  P  P1511  1  0.772560  0.775121  0.633823  1
  P  P1512  1  0.404474  0.780374  0.681612  1
