# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   26.74312620
_cell_length_b   32.31896191
_cell_length_c   49.00541336
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.40384523
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P384
_cell_volume   41168.9246208
_cell_formula_units_Z   384
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  0.345825  0.448159  0.357024  1
  P  P2  1  0.806786  0.471743  0.361360  1
  P  P3  1  0.021134  0.464679  0.418603  1
  P  P4  1  0.345825  0.948159  0.357024  1
  P  P5  1  0.806786  0.971743  0.361360  1
  P  P6  1  0.021134  0.964679  0.418603  1
  P  P7  1  0.447696  0.366240  0.370034  1
  P  P8  1  0.665992  0.294920  0.428415  1
  P  P9  1  0.072478  0.293104  0.409701  1
  P  P10  1  0.447696  0.866240  0.370034  1
  P  P11  1  0.665992  0.794920  0.428415  1
  P  P12  1  0.072478  0.793104  0.409701  1
  P  P13  1  0.374838  0.424511  0.417700  1
  P  P14  1  0.781572  0.467256  0.424856  1
  P  P15  1  0.121196  0.496685  0.385857  1
  P  P16  1  0.374838  0.924511  0.417700  1
  P  P17  1  0.781572  0.967256  0.424856  1
  P  P18  1  0.121196  -0.003315  0.385857  1
  P  P19  1  0.418860  0.321295  0.425847  1
  P  P20  1  0.752405  0.323713  0.390308  1
  P  P21  1  0.076733  0.200771  0.434577  1
  P  P22  1  0.418860  0.821295  0.425847  1
  P  P23  1  0.752405  0.823713  0.390308  1
  P  P24  1  0.076733  0.700771  0.434577  1
  P  P25  1  0.630596  0.391829  0.398331  1
  P  P26  1  0.987464  0.547818  0.384518  1
  P  P27  1  0.336864  0.547739  0.351692  1
  P  P28  1  0.630596  0.891829  0.398331  1
  P  P29  1  0.987464  0.047818  0.384518  1
  P  P30  1  0.336864  0.047739  0.351692  1
  P  P31  1  0.632002  0.219657  0.396356  1
  P  P32  1  1.002949  0.226744  0.383406  1
  P  P33  1  0.325248  0.360591  0.383171  1
  P  P34  1  0.632002  0.719657  0.396356  1
  P  P35  1  1.002949  0.726744  0.383406  1
  P  P36  1  0.325248  0.860591  0.383171  1
  P  P37  1  0.419604  0.774010  0.370422  1
  P  P38  1  0.755004  0.725885  0.395344  1
  P  P39  1  0.135408  0.707168  0.378247  1
  P  P40  1  0.419604  0.274010  0.370422  1
  P  P41  1  0.755004  0.225885  0.395344  1
  P  P42  1  0.135408  0.207168  0.378247  1
  P  P43  1  0.434079  0.488089  0.386601  1
  P  P44  1  0.778765  0.557900  0.391106  1
  P  P45  1  0.064538  0.549053  0.436150  1
  P  P46  1  0.434079  0.988089  0.386601  1
  P  P47  1  0.778765  0.057900  0.391106  1
  P  P48  1  0.064538  0.049053  0.436150  1
  P  P49  1  0.537195  0.776567  0.351665  1
  P  P50  1  0.956250  0.663633  0.425716  1
  P  P51  1  0.257816  0.697796  0.381286  1
  P  P52  1  0.537195  0.276567  0.351665  1
  P  P53  1  0.956250  0.163633  0.425716  1
  P  P54  1  0.257816  0.197796  0.381286  1
  P  P55  1  0.557772  0.474411  0.438636  1
  P  P56  1  0.881194  0.595959  0.407655  1
  P  P57  1  0.229135  0.604800  0.372942  1
  P  P58  1  0.557772  0.974411  0.438636  1
  P  P59  1  0.881194  0.095959  0.407655  1
  P  P60  1  0.229135  0.104800  0.372942  1
  P  P61  1  0.519170  0.701280  0.390793  1
  P  P62  1  0.872499  0.748443  0.407568  1
  P  P63  1  0.181565  0.791408  0.376590  1
  P  P64  1  0.519170  0.201280  0.390793  1
  P  P65  1  0.872499  0.248443  0.407568  1
  P  P66  1  0.181565  0.291408  0.376590  1
  P  P67  1  0.555879  0.474866  0.374910  1
  P  P68  1  0.875440  0.546207  0.349703  1
  P  P69  1  0.189957  0.543789  0.427458  1
  P  P70  1  0.555879  0.974866  0.374910  1
  P  P71  1  0.875440  0.046207  0.349703  1
  P  P72  1  0.189957  0.043789  0.427458  1
  P  P73  1  0.542415  0.302924  0.412701  1
  P  P74  1  0.780865  0.276750  0.450708  1
  P  P75  1  0.188761  0.248244  0.434776  1
  P  P76  1  0.542415  0.802924  0.412701  1
  P  P77  1  0.780865  0.776750  0.450708  1
  P  P78  1  0.188761  0.748244  0.434776  1
  P  P79  1  0.498926  0.405382  0.420092  1
  P  P80  1  0.896608  0.492658  0.402381  1
  P  P81  1  0.233031  0.507960  0.364665  1
  P  P82  1  0.498926  0.905382  0.420092  1
  P  P83  1  0.896608  0.992658  0.402381  1
  P  P84  1  0.233031  0.007960  0.364665  1
  P  P85  1  0.313279  0.523467  0.412205  1
  P  P86  1  0.674769  0.475931  0.394482  1
  P  P87  1  0.944874  0.535853  0.458362  1
  P  P88  1  0.313279  0.023467  0.412205  1
  P  P89  1  0.674769  0.975931  0.394482  1
  P  P90  1  0.944874  0.035853  0.458362  1
  P  P91  1  0.294887  0.778473  0.408275  1
  P  P92  1  0.645876  0.802390  0.364950  1
  P  P93  1  0.971162  0.771389  0.440013  1
  P  P94  1  0.294887  0.278473  0.408275  1
  P  P95  1  0.645876  0.302390  0.364950  1
  P  P96  1  0.971162  0.271389  0.440013  1
  P  P97  1  0.311731  0.366588  0.453353  1
  P  P98  1  0.717756  0.376056  0.445686  1
  P  P99  1  0.924040  0.348675  0.483639  1
  P  P100  1  0.311731  0.866588  0.453353  1
  P  P101  1  0.717756  0.876056  0.445686  1
  P  P102  1  0.924040  0.848675  0.483639  1
  P  P103  1  0.353643  0.265535  0.464706  1
  P  P104  1  0.591821  0.252123  0.468168  1
  P  P105  1  0.031723  0.264083  0.498872  1
  P  P106  1  0.353643  0.765535  0.464706  1
  P  P107  1  0.591821  0.752123  0.468168  1
  P  P108  1  0.031723  0.764083  0.498872  1
  P  P109  1  0.264561  0.323307  0.505688  1
  P  P110  1  0.651296  0.406412  0.508985  1
  P  P111  1  0.017884  0.387146  0.457920  1
  P  P112  1  0.264561  0.823307  0.505688  1
  P  P113  1  0.651296  0.906412  0.508985  1
  P  P114  1  0.017884  0.887146  0.457920  1
  P  P115  1  0.261535  0.225828  0.495681  1
  P  P116  1  0.708345  0.200217  0.453106  1
  P  P117  1  0.957121  0.220802  0.535111  1
  P  P118  1  0.261535  0.725828  0.495681  1
  P  P119  1  0.708345  0.700217  0.453106  1
  P  P120  1  0.957121  0.720802  0.535111  1
  P  P121  1  0.517475  0.432616  0.494116  1
  P  P122  1  0.892542  0.445635  0.458088  1
  P  P123  1  0.249283  0.445718  0.416233  1
  P  P124  1  0.517475  0.932616  0.494116  1
  P  P125  1  0.892542  0.945635  0.458088  1
  P  P126  1  0.249283  0.945718  0.416233  1
  P  P127  1  0.528457  0.170363  0.495204  1
  P  P128  1  0.893194  0.242092  0.479119  1
  P  P129  1  0.302596  0.182427  0.440908  1
  P  P130  1  0.528457  0.670363  0.495204  1
  P  P131  1  0.893194  0.742092  0.479119  1
  P  P132  1  0.302596  0.682427  0.440908  1
  P  P133  1  0.399463  0.703054  0.411523  1
  P  P134  1  0.651148  0.660570  0.502629  1
  P  P135  1  1.006415  0.676484  0.481183  1
  P  P136  1  0.399463  0.203054  0.411523  1
  P  P137  1  0.651148  0.160570  0.502629  1
  P  P138  1  1.006415  0.176484  0.481183  1
  P  P139  1  0.312362  0.469137  0.470442  1
  P  P140  1  0.672209  0.470177  0.460370  1
  P  P141  1  0.955511  0.444659  0.509805  1
  P  P142  1  0.312362  0.969137  0.470442  1
  P  P143  1  0.672209  0.970177  0.460370  1
  P  P144  1  0.955511  0.944659  0.509805  1
  P  P145  1  0.495505  0.631854  0.436349  1
  P  P146  1  0.776459  0.622298  0.488505  1
  P  P147  1  0.123667  0.614551  0.472080  1
  P  P148  1  0.495505  0.131854  0.436349  1
  P  P149  1  0.776459  0.122298  0.488505  1
  P  P150  1  0.123667  0.114551  0.472080  1
  P  P151  1  0.401536  0.469813  0.516430  1
  P  P152  1  0.832366  0.507946  0.510884  1
  P  P153  1  0.147775  0.516913  0.489500  1
  P  P154  1  0.401536  0.969813  0.516430  1
  P  P155  1  0.832366  0.007946  0.510884  1
  P  P156  1  0.147775  0.016913  0.489500  1
  P  P157  1  0.404823  0.670392  0.478498  1
  P  P158  1  0.834419  0.675979  0.443804  1
  P  P159  1  0.195958  0.648615  0.427778  1
  P  P160  1  0.404823  0.170392  0.478498  1
  P  P161  1  0.834419  0.175979  0.443804  1
  P  P162  1  0.195958  0.148615  0.427778  1
  P  P163  1  0.426997  0.488049  0.452952  1
  P  P164  1  0.824750  0.545146  0.450885  1
  P  P165  1  0.046173  0.478800  0.484061  1
  P  P166  1  0.426997  0.988049  0.452952  1
  P  P167  1  0.824750  0.045146  0.450885  1
  P  P168  1  0.046173  0.978800  0.484061  1
  P  P169  1  0.482035  0.234140  0.449219  1
  P  P170  1  0.793997  0.213851  0.503029  1
  P  P171  1  0.146654  0.204224  0.486906  1
  P  P172  1  0.482035  0.734140  0.449219  1
  P  P173  1  0.793997  0.713851  0.503029  1
  P  P174  1  0.146654  0.704224  0.486906  1
  P  P175  1  0.424385  0.389730  0.474583  1
  P  P176  1  0.791973  0.417877  0.482100  1
  P  P177  1  0.138077  0.447356  0.441861  1
  P  P178  1  0.424385  0.889730  0.474583  1
  P  P179  1  0.791973  0.917877  0.482100  1
  P  P180  1  0.138077  0.947356  0.441861  1
  P  P181  1  0.223332  0.424474  0.489919  1
  P  P182  1  0.596712  0.372316  0.457300  1
  P  P183  1  0.862369  0.411787  0.534323  1
  P  P184  1  0.223332  0.924474  0.489919  1
  P  P185  1  0.596712  0.872316  0.457300  1
  P  P186  1  0.862369  0.911787  0.534323  1
  P  P187  1  0.251494  0.625886  0.483353  1
  P  P188  1  0.601038  0.660677  0.441589  1
  P  P189  1  0.903633  0.635230  0.495347  1
  P  P190  1  0.251494  0.125886  0.483353  1
  P  P191  1  0.601038  0.160677  0.441589  1
  P  P192  1  0.903633  0.135230  0.495347  1
  P  P193  1  0.151912  0.292168  0.519100  1
  P  P194  1  0.582742  0.330301  0.513553  1
  P  P195  1  0.836503  0.283201  0.540483  1
  P  P196  1  0.151912  0.792168  0.519100  1
  P  P197  1  0.582742  0.830301  0.513553  1
  P  P198  1  0.836503  0.783201  0.540483  1
  P  P199  1  0.207819  0.177816  0.541478  1
  P  P200  1  0.488773  0.168260  0.593634  1
  P  P201  1  0.860610  0.185563  0.557904  1
  P  P202  1  0.207819  0.677816  0.541478  1
  P  P203  1  0.488773  0.668260  0.593634  1
  P  P204  1  0.860610  0.685563  0.557904  1
  P  P205  1  0.159528  0.254968  0.579098  1
  P  P206  1  0.557281  0.312065  0.577032  1
  P  P207  1  0.938105  0.321314  0.545923  1
  P  P208  1  0.159528  0.754968  0.579098  1
  P  P209  1  0.557281  0.812065  0.577032  1
  P  P210  1  0.938105  0.821314  0.545923  1
  P  P211  1  0.149859  0.124135  0.586180  1
  P  P212  1  0.579454  0.129722  0.551485  1
  P  P213  1  0.788319  0.151499  0.602205  1
  P  P214  1  0.149859  0.624135  0.586180  1
  P  P215  1  0.579454  0.629722  0.551485  1
  P  P216  1  0.788319  0.651499  0.602205  1
  P  P217  1  0.387566  0.427798  0.572683  1
  P  P218  1  0.760945  0.375640  0.540065  1
  P  P219  1  0.121909  0.388327  0.495660  1
  P  P220  1  0.387566  0.927798  0.572683  1
  P  P221  1  0.760945  0.875640  0.540065  1
  P  P222  1  0.121909  0.888327  0.495660  1
  P  P223  1  0.383240  0.139437  0.588395  1
  P  P224  1  0.732783  0.174228  0.546630  1
  P  P225  1  0.080644  0.164884  0.534637  1
  P  P226  1  0.383240  0.639437  0.588395  1
  P  P227  1  0.732783  0.674228  0.546630  1
  P  P228  1  0.080644  0.664884  0.534637  1
  P  P229  1  0.190280  0.586263  0.526955  1
  P  P230  1  0.502243  0.565974  0.580765  1
  P  P231  1  0.837624  0.595890  0.543078  1
  P  P232  1  0.190280  0.086263  0.526955  1
  P  P233  1  0.502243  0.065974  0.580765  1
  P  P234  1  0.837624  0.095890  0.543078  1
  P  P235  1  0.192304  0.382236  0.547884  1
  P  P236  1  0.559893  0.410384  0.555400  1
  P  P237  1  0.846201  0.352758  0.588122  1
  P  P238  1  0.192304  0.882236  0.547884  1
  P  P239  1  0.559893  0.910384  0.555400  1
  P  P240  1  0.846201  0.852758  0.588122  1
  P  P241  1  0.392457  0.547991  0.561816  1
  P  P242  1  0.630635  0.534578  0.565278  1
  P  P243  1  0.952555  0.536031  0.531112  1
  P  P244  1  0.392457  0.047991  0.561816  1
  P  P245  1  0.630635  0.034578  0.565278  1
  P  P246  1  0.952555  0.036031  0.531112  1
  P  P247  1  0.266521  0.424058  0.584297  1
  P  P248  1  0.672546  0.433526  0.576630  1
  P  P249  1  0.060237  0.451439  0.546344  1
  P  P250  1  0.266521  0.924058  0.584297  1
  P  P251  1  0.672546  0.933526  0.576630  1
  P  P252  1  0.060237  0.951439  0.546344  1
  P  P253  1  0.275932  0.599897  0.576878  1
  P  P254  1  0.722743  0.574286  0.534302  1
  P  P255  1  0.027157  0.579312  0.494873  1
  P  P256  1  0.275932  0.099897  0.576878  1
  P  P257  1  0.722743  0.074286  0.534302  1
  P  P258  1  0.027157  0.079312  0.494873  1
  P  P259  1  0.332982  0.393702  0.520998  1
  P  P260  1  0.719717  0.476807  0.524296  1
  P  P261  1  0.966393  0.412968  0.572063  1
  P  P262  1  0.332982  0.893702  0.520998  1
  P  P263  1  0.719717  0.976807  0.524296  1
  P  P264  1  0.966393  0.912968  0.572063  1
  P  P265  1  0.333130  0.139544  0.527354  1
  P  P266  1  0.584814  0.097060  0.618461  1
  P  P267  1  0.977862  0.123630  0.548800  1
  P  P268  1  0.333130  0.639544  0.527354  1
  P  P269  1  0.584814  0.597060  0.618461  1
  P  P270  1  0.977862  0.623630  0.548800  1
  P  P271  1  0.312069  0.329937  0.569614  1
  P  P272  1  0.671916  0.330977  0.559541  1
  P  P273  1  0.028766  0.355455  0.520178  1
  P  P274  1  0.312069  0.829937  0.569614  1
  P  P275  1  0.671916  0.830977  0.559541  1
  P  P276  1  0.028766  0.855455  0.520178  1
  P  P277  1  0.091736  0.354479  0.571895  1
  P  P278  1  0.466802  0.367498  0.535867  1
  P  P279  1  0.734995  0.354396  0.613750  1
  P  P280  1  0.091736  0.854479  0.571895  1
  P  P281  1  0.466802  0.867498  0.535867  1
  P  P282  1  0.734995  0.854396  0.613750  1
  P  P283  1  0.091083  0.558022  0.550865  1
  P  P284  1  0.455821  0.629751  0.534779  1
  P  P285  1  0.681681  0.617687  0.589075  1
  P  P286  1  0.091083  0.058022  0.550865  1
  P  P287  1  0.455821  0.129751  0.534779  1
  P  P288  1  0.681681  0.117687  0.589075  1
  P  P289  1  0.103083  0.204155  0.622328  1
  P  P290  1  0.426506  0.325703  0.591347  1
  P  P291  1  0.755143  0.195314  0.657041  1
  P  P292  1  0.103083  0.704155  0.622328  1
  P  P293  1  0.426506  0.825703  0.591347  1
  P  P294  1  0.755143  0.695314  0.657041  1
  P  P295  1  0.028028  0.136481  0.604268  1
  P  P296  1  0.447083  0.023547  0.678319  1
  P  P297  1  0.726462  0.102318  0.648697  1
  P  P298  1  0.028028  0.636481  0.604268  1
  P  P299  1  0.447083  0.523547  0.678319  1
  P  P300  1  0.726462  0.602318  0.648697  1
  P  P301  1  0.108838  0.253907  0.680281  1
  P  P302  1  0.428399  0.325248  0.655073  1
  P  P303  1  0.794321  0.256325  0.602526  1
  P  P304  1  0.108838  0.753907  0.680281  1
  P  P305  1  0.428399  0.825248  0.655073  1
  P  P306  1  0.794321  0.756325  0.602526  1
  P  P307  1  0.111779  0.051671  0.622415  1
  P  P308  1  0.465107  0.098834  0.639191  1
  P  P309  1  0.802713  0.008705  0.653393  1
  P  P310  1  0.111779  0.551671  0.622415  1
  P  P311  1  0.465107  0.598834  0.639191  1
  P  P312  1  0.802713  0.508705  0.653393  1
  P  P313  1  0.309509  0.324183  0.635501  1
  P  P314  1  0.670999  0.276647  0.617779  1
  P  P315  1  0.039403  0.264261  0.571621  1
  P  P316  1  0.309509  0.824183  0.635501  1
  P  P317  1  0.670999  0.776647  0.617779  1
  P  P318  1  0.039403  0.764261  0.571621  1
  P  P319  1  0.338401  -0.002276  0.665033  1
  P  P320  1  0.689391  0.021641  0.621708  1
  P  P321  1  0.013115  0.028725  0.589971  1
  P  P322  1  0.338401  0.497724  0.665033  1
  P  P323  1  0.689391  0.521641  0.621708  1
  P  P324  1  0.013115  0.528725  0.589971  1
  P  P325  1  0.203413  0.523364  0.579275  1
  P  P326  1  0.441863  0.497190  0.617282  1
  P  P327  1  0.795517  0.551870  0.595207  1
  P  P328  1  0.203413  0.023364  0.579275  1
  P  P329  1  0.441863  -0.002810  0.617282  1
  P  P330  1  0.795517  0.051870  0.595207  1
  P  P331  1  0.087669  0.307456  0.627603  1
  P  P332  1  0.485351  0.394732  0.609891  1
  P  P333  1  0.751247  0.292154  0.665319  1
  P  P334  1  0.087669  0.807456  0.627603  1
  P  P335  1  0.485351  0.894732  0.609891  1
  P  P336  1  0.751247  0.792154  0.665319  1
  P  P337  1  0.318285  0.505194  0.601568  1
  P  P338  1  0.536582  0.433874  0.659950  1
  P  P339  1  0.911799  0.507010  0.620283  1
  P  P340  1  0.318285  0.005194  0.601568  1
  P  P341  1  0.536582  0.933874  0.659950  1
  P  P342  1  0.911799  0.007010  0.620283  1
  P  P343  1  0.177492  0.328371  0.668624  1
  P  P344  1  0.638453  0.351954  0.672959  1
  P  P345  1  0.963144  0.335435  0.611380  1
  P  P346  1  0.177492  0.828371  0.668624  1
  P  P347  1  0.638453  0.851954  0.672959  1
  P  P348  1  0.963144  0.835435  0.611380  1
  P  P349  1  0.231873  0.476401  0.639675  1
  P  P350  1  0.565418  0.478819  0.604136  1
  P  P351  1  0.907545  0.599343  0.595406  1
  P  P352  1  0.231873  0.976401  0.639675  1
  P  P353  1  0.565418  0.978819  0.604136  1
  P  P354  1  0.907545  0.099343  0.595406  1
  P  P355  1  0.202705  0.332858  0.605128  1
  P  P356  1  0.609439  0.375603  0.612284  1
  P  P357  1  0.863082  0.303429  0.644127  1
  P  P358  1  0.202705  0.832858  0.605128  1
  P  P359  1  0.609439  0.875603  0.612284  1
  P  P360  1  0.863082  0.803429  0.644127  1
  P  P361  1  0.229274  0.074228  0.634640  1
  P  P362  1  0.564674  0.026104  0.659562  1
  P  P363  1  0.848870  0.092945  0.651736  1
  P  P364  1  0.229274  0.574228  0.634640  1
  P  P365  1  0.564674  0.526104  0.659562  1
  P  P366  1  0.848870  0.592945  0.651736  1
  P  P367  1  0.205512  0.242213  0.638878  1
  P  P368  1  0.550199  0.312025  0.643382  1
  P  P369  1  0.919740  0.251061  0.593834  1
  P  P370  1  0.205512  0.742213  0.638878  1
  P  P371  1  0.550199  0.812025  0.643382  1
  P  P372  1  0.919740  0.751061  0.593834  1
  P  P373  1  0.996814  0.252296  0.645465  1
  P  P374  1  0.353682  0.408285  0.631652  1
  P  P375  1  0.647414  0.252375  0.678291  1
  P  P376  1  0.996814  0.752296  0.645465  1
  P  P377  1  0.353682  0.908285  0.631652  1
  P  P378  1  0.647414  0.752375  0.678291  1
  P  P379  1  0.981329  0.573370  0.646577  1
  P  P380  1  0.352275  0.580457  0.633628  1
  P  P381  1  0.659030  0.439522  0.646813  1
  P  P382  1  0.981329  0.073370  0.646577  1
  P  P383  1  0.352275  0.080457  0.633628  1
  P  P384  1  0.659030  0.939522  0.646813  1
