# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   32.08955142
_cell_length_b   53.45454858
_cell_length_c   58.00246301
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.02442500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P432
_cell_volume   98746.7215811
_cell_formula_units_Z   432
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  0.693253  0.739273  0.351683  1
  P  P2  1  0.359920  0.405939  0.351683  1
  P  P3  1  0.463401  0.708850  0.418350  1
  P  P4  1  0.233549  0.678428  0.485017  1
  P  P5  1  0.026586  0.072606  0.351683  1
  P  P6  1  0.130068  0.375517  0.418350  1
  P  P7  1  0.900216  0.345094  0.485017  1
  P  P8  1  0.796734  0.042184  0.418350  1
  P  P9  1  0.566883  0.011761  0.485017  1
  P  P10  1  0.686330  0.631188  0.317193  1
  P  P11  1  0.352997  0.297855  0.317193  1
  P  P12  1  0.458246  0.602575  0.383382  1
  P  P13  1  0.228394  0.572153  0.450049  1
  P  P14  1  0.019663  0.964522  0.317193  1
  P  P15  1  0.124913  0.269242  0.383382  1
  P  P16  1  0.895061  0.238819  0.450049  1
  P  P17  1  0.791579  0.935908  0.383382  1
  P  P18  1  0.561728  0.905486  0.450049  1
  P  P19  1  0.743504  0.790129  0.334994  1
  P  P20  1  0.410170  0.456796  0.334994  1
  P  P21  1  0.513652  0.759707  0.401660  1
  P  P22  1  0.283800  0.729284  0.468327  1
  P  P23  1  0.076837  0.123463  0.334994  1
  P  P24  1  0.180319  0.426373  0.401660  1
  P  P25  1  0.950467  0.395951  0.468327  1
  P  P26  1  0.846985  0.093040  0.401660  1
  P  P27  1  0.617134  0.062618  0.468327  1
  P  P28  1  0.639575  0.583815  0.332865  1
  P  P29  1  0.306242  0.250482  0.332865  1
  P  P30  1  0.407995  0.551719  0.400072  1
  P  P31  1  0.178143  0.521296  0.466739  1
  P  P32  1  0.972908  0.917149  0.332865  1
  P  P33  1  0.074662  0.218385  0.400072  1
  P  P34  1  0.844810  0.187963  0.466739  1
  P  P35  1  0.741329  0.885052  0.400072  1
  P  P36  1  0.511477  0.854629  0.466739  1
  P  P37  1  0.764478  0.767082  0.382778  1
  P  P38  1  0.431144  0.433748  0.382778  1
  P  P39  1  0.534626  0.736659  0.449445  1
  P  P40  1  0.991414  0.798207  0.315881  1
  P  P41  1  0.097811  0.100415  0.382778  1
  P  P42  1  0.201293  0.403326  0.449445  1
  P  P43  1  0.658081  0.464874  0.315881  1
  P  P44  1  0.867959  0.069993  0.449445  1
  P  P45  1  0.324748  0.131540  0.315881  1
  P  P46  1  0.927318  0.513921  0.485621  1
  P  P47  1  0.593984  0.180588  0.485621  1
  P  P48  1  0.387021  0.574766  0.352287  1
  P  P49  1  0.157170  0.544344  0.418954  1
  P  P50  1  0.260651  0.847254  0.485621  1
  P  P51  1  0.053688  0.241433  0.352287  1
  P  P52  1  0.823836  0.211010  0.418954  1
  P  P53  1  0.720355  0.908099  0.352287  1
  P  P54  1  0.490503  0.877677  0.418954  1
  P  P55  1  0.679847  0.790092  0.376097  1
  P  P56  1  0.346514  0.456759  0.376097  1
  P  P57  1  0.449995  0.759669  0.442763  1
  P  P58  1  0.912574  0.819677  0.309598  1
  P  P59  1  0.013180  0.123425  0.376097  1
  P  P60  1  0.116662  0.426336  0.442763  1
  P  P61  1  0.579241  0.486343  0.309598  1
  P  P62  1  0.783329  0.093003  0.442763  1
  P  P63  1  0.245907  0.153010  0.309598  1
  P  P64  1  0.011948  0.490911  0.492302  1
  P  P65  1  0.678615  0.157578  0.492302  1
  P  P66  1  0.471652  0.551756  0.358969  1
  P  P67  1  0.241800  0.521333  0.425636  1
  P  P68  1  0.345282  0.824244  0.492302  1
  P  P69  1  0.138319  0.218423  0.358969  1
  P  P70  1  0.908467  0.188000  0.425636  1
  P  P71  1  0.804985  0.885089  0.358969  1
  P  P72  1  0.575134  0.854667  0.425636  1
  P  P73  1  0.864529  0.676671  0.396637  1
  P  P74  1  0.531196  0.343338  0.396637  1
  P  P75  1  0.634677  0.646249  0.463304  1
  P  P76  1  0.096145  0.708648  0.329248  1
  P  P77  1  0.197862  0.010004  0.396637  1
  P  P78  1  0.301344  0.312915  0.463304  1
  P  P79  1  0.762811  0.375315  0.329248  1
  P  P80  1  0.968011  0.979582  0.463304  1
  P  P81  1  0.429478  0.041981  0.329248  1
  P  P82  1  0.827266  0.604332  0.471762  1
  P  P83  1  0.493933  0.270998  0.471762  1
  P  P84  1  0.286970  0.665177  0.338428  1
  P  P85  1  0.057118  0.634754  0.405095  1
  P  P86  1  0.160600  0.937665  0.471762  1
  P  P87  1  0.953637  0.331843  0.338428  1
  P  P88  1  0.723785  0.301421  0.405095  1
  P  P89  1  0.620303  0.998510  0.338428  1
  P  P90  1  0.390451  0.968087  0.405095  1
  P  P91  1  0.844254  0.692178  0.346039  1
  P  P92  1  0.510921  0.358844  0.346039  1
  P  P93  1  0.614403  0.661755  0.412706  1
  P  P94  1  0.384551  0.631333  0.479372  1
  P  P95  1  0.177588  0.025511  0.346039  1
  P  P96  1  0.281069  0.328422  0.412706  1
  P  P97  1  0.051218  0.297999  0.479372  1
  P  P98  1  0.947736  0.995088  0.412706  1
  P  P99  1  0.717884  0.964666  0.479372  1
  P  P100  1  0.534185  0.680734  0.322009  1
  P  P101  1  0.200852  0.347401  0.322009  1
  P  P102  1  0.307245  0.649670  0.389027  1
  P  P103  1  0.077393  0.619248  0.455693  1
  P  P104  1  0.867519  0.014067  0.322009  1
  P  P105  1  0.973911  0.316337  0.389027  1
  P  P106  1  0.744059  0.285914  0.455693  1
  P  P107  1  0.640578  0.983003  0.389027  1
  P  P108  1  0.410726  0.952581  0.455693  1
  P  P109  1  0.915329  0.724389  0.374101  1
  P  P110  1  0.581996  0.391056  0.374101  1
  P  P111  1  0.685478  0.693967  0.440767  1
  P  P112  1  0.143381  0.753070  0.308098  1
  P  P113  1  0.248663  0.057723  0.374101  1
  P  P114  1  0.352144  0.360634  0.440767  1
  P  P115  1  0.810048  0.419737  0.308098  1
  P  P116  1  0.018811  0.027300  0.440767  1
  P  P117  1  0.476714  0.086403  0.308098  1
  P  P118  1  0.776466  0.556613  0.494298  1
  P  P119  1  0.443133  0.223280  0.494298  1
  P  P120  1  0.236169  0.617458  0.360965  1
  P  P121  1  1.006318  0.587036  0.427632  1
  P  P122  1  0.109799  0.889947  0.494298  1
  P  P123  1  0.902836  0.284125  0.360965  1
  P  P124  1  0.672984  0.253703  0.427632  1
  P  P125  1  0.569503  0.950792  0.360965  1
  P  P126  1  0.339651  0.920369  0.427632  1
  P  P127  1  0.698728  0.639859  0.423454  1
  P  P128  1  0.365395  0.306526  0.423454  1
  P  P129  1  0.468876  0.609437  0.490120  1
  P  P130  1  0.928580  0.670282  0.356787  1
  P  P131  1  0.032062  0.973193  0.423454  1
  P  P132  1  0.135543  0.276103  0.490120  1
  P  P133  1  0.595247  0.336948  0.356787  1
  P  P134  1  0.802210  0.942770  0.490120  1
  P  P135  1  0.261913  1.003615  0.356787  1
  P  P136  1  0.993067  0.641143  0.444945  1
  P  P137  1  0.659734  0.307810  0.444945  1
  P  P138  1  0.455645  0.701160  0.311904  1
  P  P139  1  0.222919  0.671566  0.378279  1
  P  P140  1  0.326401  0.974477  0.444945  1
  P  P141  1  0.122312  0.367826  0.311904  1
  P  P142  1  0.889586  0.338233  0.378279  1
  P  P143  1  0.788979  0.034493  0.311904  1
  P  P144  1  0.556252  1.004899  0.378279  1
  P  P145  1  0.571677  0.845256  0.321535  1
  P  P146  1  0.238344  0.511923  0.321535  1
  P  P147  1  0.342037  0.816681  0.388792  1
  P  P148  1  0.112186  0.786259  0.455459  1
  P  P149  1  0.905010  0.178590  0.321535  1
  P  P150  1  0.008704  0.483348  0.388792  1
  P  P151  1  0.778852  0.452925  0.455459  1
  P  P152  1  0.675371  0.150015  0.388792  1
  P  P153  1  0.445519  0.119592  0.455459  1
  P  P154  1  0.809462  0.525167  0.346274  1
  P  P155  1  0.476128  0.191833  0.346274  1
  P  P156  1  0.579610  0.494744  0.412940  1
  P  P157  1  0.349758  0.464322  0.479607  1
  P  P158  1  0.142795  0.858500  0.346274  1
  P  P159  1  0.246277  0.161411  0.412940  1
  P  P160  1  0.016425  0.130988  0.479607  1
  P  P161  1  0.912943  0.828077  0.412940  1
  P  P162  1  0.683092  0.797655  0.479607  1
  P  P163  1  0.937335  0.742141  0.480289  1
  P  P164  1  0.604002  0.408808  0.480289  1
  P  P165  1  0.397038  0.802986  0.346956  1
  P  P166  1  0.167187  0.772564  0.413622  1
  P  P167  1  0.270668  0.075474  0.480289  1
  P  P168  1  0.063705  0.469653  0.346956  1
  P  P169  1  0.833853  0.439230  0.413622  1
  P  P170  1  0.730372  0.136319  0.346956  1
  P  P171  1  0.500520  0.105897  0.413622  1
  P  P172  1  0.754461  0.538862  0.388110  1
  P  P173  1  0.421127  0.205528  0.388110  1
  P  P174  1  0.524609  0.508439  0.454777  1
  P  P175  1  0.987678  0.569352  0.321594  1
  P  P176  1  0.087794  0.872195  0.388110  1
  P  P177  1  0.191275  0.175106  0.454777  1
  P  P178  1  0.654345  0.236019  0.321594  1
  P  P179  1  0.857942  0.841772  0.454777  1
  P  P180  1  0.321012  0.902686  0.321594  1
  P  P181  1  0.840151  0.742240  0.474174  1
  P  P182  1  0.506818  0.408907  0.474174  1
  P  P183  1  0.299854  0.803085  0.340841  1
  P  P184  1  0.070003  0.772663  0.407507  1
  P  P185  1  0.173484  0.075573  0.474174  1
  P  P186  1  0.966521  0.469752  0.340841  1
  P  P187  1  0.736669  0.439329  0.407507  1
  P  P188  1  0.633188  0.136418  0.340841  1
  P  P189  1  0.403336  0.105996  0.407507  1
  P  P190  1  0.851645  0.538763  0.394225  1
  P  P191  1  0.518311  0.205429  0.394225  1
  P  P192  1  0.621793  0.508340  0.460892  1
  P  P193  1  0.078242  0.569255  0.327346  1
  P  P194  1  0.184978  0.872096  0.394225  1
  P  P195  1  0.288459  0.175007  0.460892  1
  P  P196  1  0.744909  0.235922  0.327346  1
  P  P197  1  0.955126  0.841674  0.460892  1
  P  P198  1  0.411575  0.902589  0.327346  1
  P  P199  1  0.564467  0.793422  0.304409  1
  P  P200  1  0.231134  0.460088  0.304409  1
  P  P201  1  0.334292  0.761014  0.370547  1
  P  P202  1  0.104440  0.730591  0.437213  1
  P  P203  1  0.897801  0.126755  0.304409  1
  P  P204  1  1.000959  0.427680  0.370547  1
  P  P205  1  0.771107  0.397258  0.437213  1
  P  P206  1  0.667625  0.094347  0.370547  1
  P  P207  1  0.437774  0.063925  0.437213  1
  P  P208  1  0.817207  0.580834  0.364519  1
  P  P209  1  0.483874  0.247501  0.364519  1
  P  P210  1  0.587355  0.550412  0.431186  1
  P  P211  1  0.357503  0.519989  0.497852  1
  P  P212  1  0.150540  0.914167  0.364519  1
  P  P213  1  0.254022  0.217078  0.431186  1
  P  P214  1  0.024170  0.186656  0.497852  1
  P  P215  1  0.920689  0.883745  0.431186  1
  P  P216  1  0.690837  0.853322  0.497852  1
  P  P217  1  1.003698  0.648005  0.551683  1
  P  P218  1  0.670364  0.314672  0.551683  1
  P  P219  1  0.773846  0.617583  0.618350  1
  P  P220  1  0.545762  0.588969  0.684539  1
  P  P221  1  0.337031  0.981339  0.551683  1
  P  P222  1  0.440513  0.284249  0.618350  1
  P  P223  1  0.212429  0.255636  0.684539  1
  P  P224  1  0.107179  0.950916  0.618350  1
  P  P225  1  0.879095  0.922303  0.684539  1
  P  P226  1  0.998543  0.541730  0.516716  1
  P  P227  1  0.665209  0.208397  0.516716  1
  P  P228  1  0.768691  0.511308  0.583382  1
  P  P229  1  0.538839  0.480885  0.650049  1
  P  P230  1  0.331876  0.875063  0.516716  1
  P  P231  1  0.435358  0.177974  0.583382  1
  P  P232  1  0.205506  0.147552  0.650049  1
  P  P233  1  0.102024  0.844641  0.583382  1
  P  P234  1  0.872172  0.814218  0.650049  1
  P  P235  1  0.053949  0.698862  0.534994  1
  P  P236  1  0.720615  0.365528  0.534994  1
  P  P237  1  0.824097  0.668439  0.601660  1
  P  P238  1  0.592517  0.636343  0.668867  1
  P  P239  1  0.387282  0.032195  0.534994  1
  P  P240  1  0.490763  0.335106  0.601660  1
  P  P241  1  0.259184  0.303009  0.668867  1
  P  P242  1  0.157430  1.001773  0.601660  1
  P  P243  1  0.925850  0.969676  0.668867  1
  P  P244  1  0.948292  0.490874  0.533405  1
  P  P245  1  0.614958  0.157540  0.533405  1
  P  P246  1  0.718440  0.460451  0.600072  1
  P  P247  1  0.488588  0.430029  0.666739  1
  P  P248  1  0.281625  0.824207  0.533405  1
  P  P249  1  0.385107  0.127118  0.600072  1
  P  P250  1  0.155255  0.096695  0.666739  1
  P  P251  1  0.051773  0.793784  0.600072  1
  P  P252  1  0.821922  0.763362  0.666739  1
  P  P253  1  0.074922  0.675814  0.582778  1
  P  P254  1  0.741589  0.342481  0.582778  1
  P  P255  1  0.845071  0.645392  0.649445  1
  P  P256  1  0.304774  0.706237  0.516112  1
  P  P257  1  0.408256  0.009148  0.582778  1
  P  P258  1  0.511737  0.312058  0.649445  1
  P  P259  1  0.971441  0.372903  0.516112  1
  P  P260  1  0.178404  0.978725  0.649445  1
  P  P261  1  0.638108  0.039570  0.516112  1
  P  P262  1  0.240678  0.421951  0.685851  1
  P  P263  1  0.907344  0.088617  0.685851  1
  P  P264  1  0.697466  0.483499  0.552287  1
  P  P265  1  0.467614  0.453076  0.618954  1
  P  P266  1  0.574011  0.755284  0.685851  1
  P  P267  1  0.364133  0.150165  0.552287  1
  P  P268  1  0.134281  0.119743  0.618954  1
  P  P269  1  0.030799  0.816832  0.552287  1
  P  P270  1  0.800948  0.786409  0.618954  1
  P  P271  1  0.990292  0.698824  0.576097  1
  P  P272  1  0.656958  0.365491  0.576097  1
  P  P273  1  0.760440  0.668402  0.642763  1
  P  P274  1  0.220143  0.729247  0.509430  1
  P  P275  1  0.323625  0.032158  0.576097  1
  P  P276  1  0.427107  0.335069  0.642763  1
  P  P277  1  0.886810  0.395914  0.509430  1
  P  P278  1  0.093773  1.001735  0.642763  1
  P  P279  1  0.553477  0.062580  0.509430  1
  P  P280  1  0.319518  0.400481  0.692134  1
  P  P281  1  0.986185  0.067148  0.692134  1
  P  P282  1  0.782097  0.460488  0.558969  1
  P  P283  1  0.552245  0.430066  0.625636  1
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