# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.50346046
_cell_length_b   17.48282933
_cell_length_c   48.95671873
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.16985331
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P252
_cell_volume   14761.2945045
_cell_formula_units_Z   252
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  0.969910  0.320983  0.312935  1
  P  P2  1  0.317142  0.974211  0.312980  1
  P  P3  1  0.333206  0.337947  0.293124  1
  P  P4  1  0.611290  0.286256  0.331259  1
  P  P5  1  0.953694  0.957415  0.336693  1
  P  P6  1  0.281493  0.615717  0.331178  1
  P  P7  1  0.641385  0.646100  0.312638  1
  P  P8  1  0.679399  1.002523  0.292314  1
  P  P9  1  0.998059  0.683304  0.292213  1
  P  P10  1  0.166210  0.517988  0.291969  1
  P  P11  1  0.514090  0.170800  0.292112  1
  P  P12  1  0.442898  0.447840  0.330300  1
  P  P13  1  0.805252  0.482018  0.312565  1
  P  P14  1  0.148560  0.151909  0.313572  1
  P  P15  1  0.477576  0.809978  0.312627  1
  P  P16  1  0.839653  0.843914  0.292165  1
  P  P17  1  0.791360  0.117122  0.336515  1
  P  P18  1  0.112924  0.794979  0.336445  1
  P  P19  1  0.985665  0.502036  0.303033  1
  P  P20  1  0.333681  0.154311  0.303406  1
  P  P21  1  0.262905  0.439344  0.343746  1
  P  P22  1  0.623400  0.466776  0.320792  1
  P  P23  1  0.966909  0.135800  0.321142  1
  P  P24  1  0.294512  0.795188  0.320634  1
  P  P25  1  0.659527  0.825324  0.303943  1
  P  P26  1  0.699759  0.177875  0.283467  1
  P  P27  1  0.019039  0.863477  0.283640  1
  P  P28  1  0.149930  0.337403  0.303358  1
  P  P29  1  0.498148  0.990228  0.303144  1
  P  P30  1  0.434863  0.267823  0.343763  1
  P  P31  1  0.790873  0.298966  0.320767  1
  P  P32  1  0.132136  0.970327  0.321066  1
  P  P33  1  0.461985  0.628227  0.320784  1
  P  P34  1  0.820745  0.663881  0.303904  1
  P  P35  1  0.859528  0.023292  0.283705  1
  P  P36  1  0.173280  0.703837  0.283300  1
  P  P37  1  0.895664  0.239263  0.373307  1
  P  P38  1  0.235475  0.899713  0.373310  1
  P  P39  1  0.255081  0.259359  0.353451  1
  P  P40  1  0.539239  0.208461  0.395491  1
  P  P41  1  0.877361  0.881074  0.398637  1
  P  P42  1  0.203709  0.543559  0.395493  1
  P  P43  1  0.562850  0.567681  0.373261  1
  P  P44  1  0.595900  0.926344  0.356175  1
  P  P45  1  0.921748  0.599735  0.356071  1
  P  P46  1  0.083038  0.436359  0.355502  1
  P  P47  1  0.432659  0.087802  0.355599  1
  P  P48  1  0.369498  0.374395  0.394490  1
  P  P49  1  0.726077  0.404189  0.372651  1
  P  P50  1  0.070064  0.073424  0.373897  1
  P  P51  1  0.399625  0.730995  0.372654  1
  P  P52  1  0.757744  0.762080  0.356827  1
  P  P53  1  0.712311  0.045437  0.397347  1
  P  P54  1  0.041191  0.715947  0.397271  1
  P  P55  1  0.904885  0.420714  0.365076  1
  P  P56  1  0.251699  0.078161  0.364287  1
  P  P57  1  0.190498  0.363684  0.406119  1
  P  P58  1  0.547549  0.388899  0.383264  1
  P  P59  1  0.892815  0.059874  0.388805  1
  P  P60  1  0.222234  0.720300  0.384811  1
  P  P61  1  0.578782  0.747207  0.364998  1
  P  P62  1  0.610973  0.104735  0.344000  1
  P  P63  1  0.934802  0.778677  0.345394  1
  P  P64  1  0.074076  0.255189  0.364171  1
  P  P65  1  0.416833  0.909706  0.365214  1
  P  P66  1  0.359390  0.195248  0.406158  1
  P  P67  1  0.716069  0.226591  0.384788  1
  P  P68  1  0.056242  0.896310  0.388801  1
  P  P69  1  0.384027  0.552499  0.383277  1
  P  P70  1  0.742473  0.583228  0.364946  1
  P  P71  1  0.774882  0.939034  0.345455  1
  P  P72  1  0.100165  0.614644  0.343893  1
  P  P73  1  0.818932  0.166691  0.438286  1
  P  P74  1  0.162888  0.823039  0.438396  1
  P  P75  1  0.179512  0.183637  0.415548  1
  P  P76  1  0.461133  0.135871  0.459535  1
  P  P77  1  0.803115  0.806849  0.462333  1
  P  P78  1  0.131202  0.465448  0.459513  1
  P  P79  1  0.487628  0.492467  0.436142  1
  P  P80  1  0.520373  0.850037  0.418214  1
  P  P81  1  0.845346  0.524284  0.418074  1
  P  P82  1  0.009785  0.357538  0.417045  1
  P  P83  1  0.353890  0.014443  0.417246  1
  P  P84  1  0.294318  0.299074  0.458670  1
  P  P85  1  0.651206  0.329277  0.436714  1
  P  P86  1  0.993790  0.997258  0.440981  1
  P  P87  1  0.324784  0.655979  0.436819  1
  P  P88  1  0.682827  0.687260  0.418054  1
  P  P89  1  0.635940  0.970428  0.462017  1
  P  P90  1  0.966142  0.639637  0.461951  1
  P  P91  1  0.829814  0.344595  0.425785  1
  P  P92  1  0.173466  0.003043  0.426548  1
  P  P93  1  0.114449  0.286446  0.468091  1
  P  P94  1  0.472575  0.313679  0.446581  1
  P  P95  1  0.813799  0.985979  0.450568  1
  P  P96  1  0.145151  0.645031  0.448409  1
  P  P97  1  0.502938  0.671183  0.426071  1
  P  P98  1  0.533934  0.029264  0.408870  1
  P  P99  1  0.862674  0.702804  0.409419  1
  P  P100  1  0.999082  0.176987  0.426467  1
  P  P101  1  0.340648  0.834504  0.425919  1
  P  P102  1  0.282178  0.119143  0.468191  1
  P  P103  1  0.640784  0.149567  0.448380  1
  P  P104  1  0.982266  0.817358  0.450552  1
  P  P105  1  0.308907  0.477359  0.446626  1
  P  P106  1  0.666370  0.507493  0.426039  1
  P  P107  1  0.698987  0.866956  0.409487  1
  P  P108  1  0.024635  0.537658  0.408772  1
  P  P109  1  0.742423  0.090583  0.501532  1
  P  P110  1  0.086711  0.746624  0.501616  1
  P  P111  1  0.102906  0.107034  0.478610  1
  P  P112  1  0.384867  0.059202  0.521270  1
  P  P113  1  0.727719  0.731464  0.524368  1
  P  P114  1  0.054562  0.389190  0.521165  1
  P  P115  1  0.412035  0.416694  0.498723  1
  P  P116  1  0.444112  0.774642  0.479200  1
  P  P117  1  0.770012  0.448049  0.479042  1
  P  P118  1  0.933128  0.281868  0.478679  1
  P  P119  1  0.278183  0.937723  0.478885  1
  P  P120  1  0.217003  0.221828  0.520405  1
  P  P121  1  0.574431  0.254873  0.499324  1
  P  P122  1  0.918298  0.921825  0.502737  1
  P  P123  1  0.250433  0.579166  0.499416  1
  P  P124  1  0.607077  0.611553  0.479037  1
  P  P125  1  0.560091  0.895823  0.523454  1
  P  P126  1  0.891583  0.563735  0.523305  1
  P  P127  1  0.753881  0.270058  0.490098  1
  P  P128  1  0.099916  0.925601  0.491276  1
  P  P129  1  0.036826  0.211372  0.530586  1
  P  P130  1  0.396250  0.239718  0.512225  1
  P  P131  1  0.739392  0.910823  0.514835  1
  P  P132  1  0.073192  0.567219  0.512776  1
  P  P133  1  0.428909  0.595618  0.489257  1
  P  P134  1  0.456931  0.954614  0.470319  1
  P  P135  1  0.786374  0.627849  0.471170  1
  P  P136  1  0.921488  0.103526  0.491157  1
  P  P137  1  0.266133  0.758546  0.490299  1
  P  P138  1  0.207051  0.041574  0.530697  1
  P  P139  1  0.562900  0.077533  0.512761  1
  P  P140  1  0.907107  0.742990  0.514834  1
  P  P141  1  0.235054  0.401020  0.512246  1
  P  P142  1  0.590940  0.433356  0.489177  1
  P  P143  1  0.623987  0.790719  0.471264  1
  P  P144  1  0.950028  0.460620  0.470123  1
  P  P145  1  0.665376  0.018953  0.565442  1
  P  P146  1  0.015188  0.669622  0.565514  1
  P  P147  1  0.027531  0.031797  0.542276  1
  P  P148  1  0.309635  0.981653  0.583630  1
  P  P149  1  0.652678  0.656321  0.585138  1
  P  P150  1  0.976934  0.314030  0.583496  1
  P  P151  1  0.337309  0.341967  0.566188  1
  P  P152  1  0.370813  0.697920  0.542537  1
  P  P153  1  0.693368  0.374671  0.542362  1
  P  P154  1  0.856361  0.207233  0.543027  1
  P  P155  1  0.203497  0.861053  0.543250  1
  P  P156  1  0.140658  0.145591  0.582716  1
  P  P157  1  0.497978  0.181668  0.565734  1
  P  P158  1  0.843426  0.847001  0.567284  1
  P  P159  1  0.177360  0.502764  0.565795  1
  P  P160  1  0.532367  0.536642  0.542158  1
  P  P161  1  0.485877  0.818781  0.584915  1
  P  P162  1  0.814623  0.489417  0.584717  1
  P  P163  1  0.676014  0.196462  0.552333  1
  P  P164  1  0.023419  0.850647  0.554086  1
  P  P165  1  0.961543  0.135510  0.594396  1
  P  P166  1  0.319302  0.162096  0.573379  1
  P  P167  1  0.663720  0.837131  0.576528  1
  P  P168  1  0.996389  0.491868  0.574467  1
  P  P169  1  0.353583  0.518613  0.551387  1
  P  P170  1  0.381358  0.877836  0.532026  1
  P  P171  1  0.711104  0.552283  0.532067  1
  P  P172  1  0.846461  0.027084  0.553973  1
  P  P173  1  0.192556  0.680738  0.552487  1
  P  P174  1  0.131045  0.966421  0.594506  1
  P  P175  1  0.487551  1.000670  0.574531  1
  P  P176  1  0.833507  0.667228  0.576464  1
  P  P177  1  0.157331  0.324198  0.573377  1
  P  P178  1  0.514026  0.357876  0.551334  1
  P  P179  1  0.548441  0.715382  0.532183  1
  P  P180  1  0.873292  0.385039  0.531793  1
  P  P181  1  0.590890  0.942066  0.627892  1
  P  P182  1  0.938379  0.595143  0.627902  1
  P  P183  1  0.951533  0.955915  0.605642  1
  P  P184  1  0.237126  0.904905  0.646491  1
  P  P185  1  0.577617  0.581119  0.648477  1
  P  P186  1  0.900163  0.241542  0.646401  1
  P  P187  1  0.259434  0.264253  0.626505  1
  P  P188  1  0.295455  0.620051  0.604378  1
  P  P189  1  0.615485  0.299213  0.604268  1
  P  P190  1  0.779203  0.134288  0.604795  1
  P  P191  1  0.130648  0.783939  0.604987  1
  P  P192  1  0.064503  0.069615  0.647025  1
  P  P193  1  0.421259  0.103864  0.626670  1
  P  P194  1  0.769831  0.773122  0.628644  1
  P  P195  1  0.099457  0.426201  0.626716  1
  P  P196  1  0.455411  0.459586  0.603841  1
  P  P197  1  0.413173  0.741931  0.648293  1
  P  P198  1  0.737857  0.416583  0.648168  1
  P  P199  1  0.600089  0.123040  0.618719  1
  P  P200  1  0.953439  0.772044  0.617489  1
  P  P201  1  0.882529  0.064277  0.656792  1
  P  P202  1  0.242910  0.085257  0.635766  1
  P  P203  1  0.590473  0.760134  0.637793  1
  P  P204  1  0.918568  0.418352  0.636345  1
  P  P205  1  0.279705  0.443892  0.620350  1
  P  P206  1  0.309049  0.800107  0.595337  1
  P  P207  1  0.634917  0.477965  0.595293  1
  P  P208  1  0.767774  0.956980  0.617431  1
  P  P209  1  0.119291  0.604838  0.618832  1
  P  P210  1  0.059885  0.887489  0.656870  1
  P  P211  1  0.414000  0.922894  0.636441  1
  P  P212  1  0.756637  0.593749  0.637691  1
  P  P213  1  0.080366  0.247958  0.635742  1
  P  P214  1  0.439229  0.283988  0.620304  1
  P  P215  1  0.474289  0.639034  0.595386  1
  P  P216  1  0.795539  0.312658  0.595134  1
  P  P217  1  0.515940  0.861012  0.688685  1
  P  P218  1  0.857168  0.519947  0.688722  1
  P  P219  1  0.878479  0.882621  0.665308  1
  P  P220  1  0.157602  0.820166  0.708797  1
  P  P221  1  0.494127  0.497742  0.709437  1
  P  P222  1  0.815332  0.161672  0.708780  1
  P  P223  1  0.180382  0.185417  0.688150  1
  P  P224  1  0.221693  0.547801  0.673191  1
  P  P225  1  0.543173  0.225505  0.673076  1
  P  P226  1  0.702486  0.061484  0.670626  1
  P  P227  1  0.057910  0.707247  0.670712  1
  P  P228  1  0.988865  0.993908  0.707314  1
  P  P229  1  0.345366  0.023917  0.688014  1
  P  P230  1  0.691572  0.694541  0.689570  1
  P  P231  1  0.019304  0.350377  0.688043  1
  P  P232  1  0.382782  0.387060  0.674144  1
  P  P233  1  0.332335  0.657827  0.709065  1
  P  P234  1  0.653745  0.335393  0.709012  1
  P  P235  1  0.522831  0.044477  0.679230  1
  P  P236  1  0.875421  0.700912  0.679844  1
  P  P237  1  0.813504  0.974817  0.717798  1
  P  P238  1  0.168973  1.002730  0.698464  1
  P  P239  1  0.511267  0.677985  0.700968  1
  P  P240  1  0.836688  0.340419  0.699143  1
  P  P241  1  0.201215  0.365996  0.679224  1
  P  P242  1  0.235199  0.724070  0.656728  1
  P  P243  1  0.558261  0.402409  0.656432  1
  P  P244  1  0.696965  0.878724  0.679748  1
  P  P245  1  0.040500  0.527737  0.679360  1
  P  P246  1  0.970885  0.818132  0.717835  1
  P  P247  1  0.336333  0.841102  0.699122  1
  P  P248  1  0.674402  0.514320  0.700960  1
  P  P249  1  0.997683  0.174048  0.698493  1
  P  P250  1  0.361140  0.205709  0.679179  1
  P  P251  1  0.398757  0.562345  0.656472  1
  P  P252  1  0.719554  0.238678  0.656574  1
