# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   48.59934241
_cell_length_b   49.44263274
_cell_length_c   50.27950389
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.82120623
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P648
_cell_volume   120192.568842
_cell_formula_units_Z   648
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  0.167860  0.234980  0.279834  1
  P  P2  1  0.166796  0.569175  0.391030  1
  P  P3  1  0.167153  0.901675  0.335475  1
  P  P4  1  0.500129  0.235841  0.391030  1
  P  P5  1  0.500487  0.568342  0.335475  1
  P  P6  1  0.501193  0.901647  0.279834  1
  P  P7  1  0.833820  0.235008  0.335475  1
  P  P8  1  0.834527  0.568314  0.279834  1
  P  P9  1  0.833462  0.902508  0.391030  1
  P  P10  1  0.166414  0.111535  0.276286  1
  P  P11  1  0.165699  0.446534  0.387397  1
  P  P12  1  0.166056  0.779034  0.331841  1
  P  P13  1  0.499032  0.113201  0.387397  1
  P  P14  1  0.499390  0.445701  0.331841  1
  P  P15  1  0.499748  0.778201  0.276286  1
  P  P16  1  0.832723  0.112368  0.331841  1
  P  P17  1  0.833081  0.444868  0.276286  1
  P  P18  1  0.832365  0.779867  0.387397  1
  P  P19  1  0.149814  0.278970  0.404457  1
  P  P20  1  0.150172  0.611470  0.348901  1
  P  P21  1  0.150530  0.943971  0.293345  1
  P  P22  1  0.483505  0.278137  0.348901  1
  P  P23  1  0.483863  0.610637  0.293345  1
  P  P24  1  0.483148  0.945637  0.404457  1
  P  P25  1  0.817197  0.277304  0.293345  1
  P  P26  1  0.816481  0.612303  0.404457  1
  P  P27  1  0.816839  0.944804  0.348901  1
  P  P28  1  0.183038  0.069239  0.318415  1
  P  P29  1  0.183304  0.401763  0.262841  1
  P  P30  1  0.182680  0.736739  0.373971  1
  P  P31  1  0.516637  0.068430  0.262841  1
  P  P32  1  0.516013  0.403405  0.373971  1
  P  P33  1  0.516371  0.735905  0.318415  1
  P  P34  1  0.849346  0.070072  0.373971  1
  P  P35  1  0.849704  0.402572  0.318415  1
  P  P36  1  0.849970  0.735096  0.262841  1
  P  P37  1  0.212358  0.275511  0.254748  1
  P  P38  1  0.212385  0.610657  0.365393  1
  P  P39  1  0.212743  0.943158  0.309837  1
  P  P40  1  0.545719  0.277324  0.365393  1
  P  P41  1  0.546076  0.609824  0.309837  1
  P  P42  1  0.545691  0.942178  0.254748  1
  P  P43  1  0.879410  0.276491  0.309837  1
  P  P44  1  0.879024  0.608844  0.254748  1
  P  P45  1  0.879052  0.943991  0.365393  1
  P  P46  1  0.120825  0.070052  0.301923  1
  P  P47  1  0.120109  0.405051  0.413034  1
  P  P48  1  0.120467  0.737552  0.357479  1
  P  P49  1  0.453442  0.071718  0.413034  1
  P  P50  1  0.453800  0.404218  0.357479  1
  P  P51  1  0.454158  0.736719  0.301923  1
  P  P52  1  0.787133  0.070885  0.357479  1
  P  P53  1  0.787491  0.403385  0.301923  1
  P  P54  1  0.786776  0.738385  0.413034  1
  P  P55  1  0.170840  0.295459  0.294309  1
  P  P56  1  0.169822  0.631093  0.405820  1
  P  P57  1  0.170180  0.963593  0.350264  1
  P  P58  1  0.503155  0.297760  0.405820  1
  P  P59  1  0.503513  0.630260  0.350264  1
  P  P60  1  0.504173  0.962126  0.294309  1
  P  P61  1  0.836846  0.296927  0.350264  1
  P  P62  1  0.837507  0.628793  0.294309  1
  P  P63  1  0.836488  0.964426  0.405820  1
  P  P64  1  0.163388  0.049616  0.261496  1
  P  P65  1  0.162672  0.384616  0.372607  1
  P  P66  1  0.163030  0.717116  0.317052  1
  P  P67  1  0.496006  0.051282  0.372607  1
  P  P68  1  0.496364  0.383783  0.317052  1
  P  P69  1  0.496721  0.716283  0.261496  1
  P  P70  1  0.829697  0.050449  0.317052  1
  P  P71  1  0.830055  0.382949  0.261496  1
  P  P72  1  0.829339  0.717949  0.372607  1
  P  P73  1  0.289741  0.193561  0.382402  1
  P  P74  1  0.290099  0.526061  0.326846  1
  P  P75  1  0.288356  0.858308  0.270704  1
  P  P76  1  0.623432  0.192728  0.326846  1
  P  P77  1  0.621689  0.524974  0.270704  1
  P  P78  1  0.623075  0.860228  0.382402  1
  P  P79  1  0.955022  0.191641  0.270704  1
  P  P80  1  0.956408  0.526894  0.382402  1
  P  P81  1  0.956766  0.859395  0.326846  1
  P  P82  1  0.043111  0.154648  0.340470  1
  P  P83  1  0.043468  0.487148  0.284914  1
  P  P84  1  0.042753  0.822148  0.396025  1
  P  P85  1  0.376802  0.153815  0.284914  1
  P  P86  1  0.376086  0.488814  0.396025  1
  P  P87  1  0.376444  0.821314  0.340470  1
  P  P88  1  0.709419  0.155481  0.396025  1
  P  P89  1  0.709777  0.487981  0.340470  1
  P  P90  1  0.710135  0.820481  0.284914  1
  P  P91  1  0.227453  0.185573  0.364856  1
  P  P92  1  0.227811  0.518074  0.309300  1
  P  P93  1  0.230317  0.850866  0.254304  1
  P  P94  1  0.561144  0.184740  0.309300  1
  P  P95  1  0.563650  0.517533  0.254304  1
  P  P96  1  0.560786  0.852240  0.364856  1
  P  P97  1  0.896984  0.184199  0.254304  1
  P  P98  1  0.894120  0.518907  0.364856  1
  P  P99  1  0.894478  0.851407  0.309300  1
  P  P100  1  0.105399  0.162636  0.358016  1
  P  P101  1  0.105757  0.495136  0.302460  1
  P  P102  1  0.105041  0.830135  0.413571  1
  P  P103  1  0.439090  0.161803  0.302460  1
  P  P104  1  0.438374  0.496802  0.413571  1
  P  P105  1  0.438732  0.829302  0.358016  1
  P  P106  1  0.771708  0.163469  0.413571  1
  P  P107  1  0.772066  0.495969  0.358016  1
  P  P108  1  0.772423  0.828469  0.302460  1
  P  P109  1  0.268517  0.230016  0.337198  1
  P  P110  1  0.268875  0.562516  0.281643  1
  P  P111  1  0.268159  0.897516  0.392754  1
  P  P112  1  0.602208  0.229183  0.281643  1
  P  P113  1  0.601493  0.564182  0.392754  1
  P  P114  1  0.601851  0.896683  0.337198  1
  P  P115  1  0.934826  0.230849  0.392754  1
  P  P116  1  0.935184  0.563349  0.337198  1
  P  P117  1  0.935542  0.895850  0.281643  1
  P  P118  1  0.064335  0.118193  0.385673  1
  P  P119  1  0.064693  0.450693  0.330118  1
  P  P120  1  0.064902  0.785319  0.274892  1
  P  P121  1  0.398026  0.117360  0.330118  1
  P  P122  1  0.398235  0.451986  0.274892  1
  P  P123  1  0.397668  0.784860  0.385673  1
  P  P124  1  0.731569  0.118653  0.274892  1
  P  P125  1  0.731001  0.451526  0.385673  1
  P  P126  1  0.731359  0.784027  0.330118  1
  P  P127  1  0.273595  0.168139  0.326642  1
  P  P128  1  0.273953  0.500639  0.271087  1
  P  P129  1  0.273237  0.835639  0.382198  1
  P  P130  1  0.607286  0.167306  0.271087  1
  P  P131  1  0.606571  0.502305  0.382198  1
  P  P132  1  0.606929  0.834806  0.326642  1
  P  P133  1  0.939904  0.168972  0.382198  1
  P  P134  1  0.940262  0.501472  0.326642  1
  P  P135  1  0.940620  0.833973  0.271087  1
  P  P136  1  0.059257  0.180070  0.396229  1
  P  P137  1  0.059615  0.512570  0.340674  1
  P  P138  1  0.060168  0.842983  0.284762  1
  P  P139  1  0.392948  0.179237  0.340674  1
  P  P140  1  0.393501  0.509650  0.284762  1
  P  P141  1  0.392590  0.846737  0.396229  1
  P  P142  1  0.726834  0.176316  0.284762  1
  P  P143  1  0.725923  0.513403  0.396229  1
  P  P144  1  0.726281  0.845904  0.340674  1
  P  P145  1  0.061503  0.328848  0.319760  1
  P  P146  1  0.061401  0.660583  0.264194  1
  P  P147  1  0.061145  0.996348  0.375315  1
  P  P148  1  0.394735  0.327250  0.264194  1
  P  P149  1  0.394479  0.663015  0.375315  1
  P  P150  1  0.394837  0.995515  0.319760  1
  P  P151  1  0.727812  0.329681  0.375315  1
  P  P152  1  0.728170  0.662182  0.319760  1
  P  P153  1  0.728068  0.993916  0.264194  1
  P  P154  1  0.271349  0.019361  0.403112  1
  P  P155  1  0.271707  0.351861  0.347556  1
  P  P156  1  0.272064  0.684361  0.292000  1
  P  P157  1  0.605040  0.018527  0.347556  1
  P  P158  1  0.605398  0.351028  0.292000  1
  P  P159  1  0.604682  0.686027  0.403112  1
  P  P160  1  0.938731  0.017694  0.292000  1
  P  P161  1  0.938015  0.352694  0.403112  1
  P  P162  1  0.938373  0.685194  0.347556  1
  P  P163  1  0.042768  0.295326  0.268721  1
  P  P164  1  0.042052  0.630325  0.379832  1
  P  P165  1  0.042410  0.962826  0.324277  1
  P  P166  1  0.375385  0.296992  0.379832  1
  P  P167  1  0.375743  0.629492  0.324277  1
  P  P168  1  0.376101  0.961992  0.268721  1
  P  P169  1  0.709077  0.296159  0.324277  1
  P  P170  1  0.709434  0.628659  0.268721  1
  P  P171  1  0.708719  0.963659  0.379832  1
  P  P172  1  0.291161  0.050382  0.287459  1
  P  P173  1  0.290442  0.385383  0.398595  1
  P  P174  1  0.290800  0.717884  0.343039  1
  P  P175  1  0.623775  0.052050  0.398595  1
  P  P176  1  0.624133  0.384550  0.343039  1
  P  P177  1  0.624494  0.717049  0.287459  1
  P  P178  1  0.957467  0.051217  0.343039  1
  P  P179  1  0.957828  0.383716  0.287459  1
  P  P180  1  0.957109  0.718717  0.398595  1
  P  P181  1  0.004144  0.293387  0.318876  1
  P  P182  1  0.005370  0.625943  0.263328  1
  P  P183  1  0.003786  0.960887  0.374431  1
  P  P184  1  0.338703  0.292610  0.263328  1
  P  P185  1  0.337119  0.627554  0.374431  1
  P  P186  1  0.337477  0.960054  0.318876  1
  P  P187  1  0.670452  0.294220  0.374431  1
  P  P188  1  0.670810  0.626721  0.318876  1
  P  P189  1  0.672037  0.959276  0.263328  1
  P  P190  1  0.328708  0.054821  0.403996  1
  P  P191  1  0.329066  0.387322  0.348440  1
  P  P192  1  0.329424  0.719822  0.292885  1
  P  P193  1  0.662399  0.053988  0.348440  1
  P  P194  1  0.662757  0.386489  0.292885  1
  P  P195  1  0.662042  0.721488  0.403996  1
  P  P196  1  0.996091  0.053155  0.292885  1
  P  P197  1  0.995375  0.388155  0.403996  1
  P  P198  1  0.995733  0.720655  0.348440  1
  P  P199  1  0.059147  0.265164  0.320421  1
  P  P200  1  0.059099  0.598373  0.264843  1
  P  P201  1  0.058789  0.932664  0.375977  1
  P  P202  1  0.392433  0.265040  0.264843  1
  P  P203  1  0.392122  0.599331  0.375977  1
  P  P204  1  0.392480  0.931831  0.320421  1
  P  P205  1  0.725456  0.265997  0.375977  1
  P  P206  1  0.725813  0.598498  0.320421  1
  P  P207  1  0.725766  0.931707  0.264843  1
  P  P208  1  0.273705  0.083045  0.402450  1
  P  P209  1  0.274063  0.415545  0.346895  1
  P  P210  1  0.274421  0.748045  0.291339  1
  P  P211  1  0.607396  0.082212  0.346895  1
  P  P212  1  0.607754  0.414712  0.291339  1
  P  P213  1  0.607039  0.749711  0.402450  1
  P  P214  1  0.941088  0.081379  0.291339  1
  P  P215  1  0.940372  0.416378  0.402450  1
  P  P216  1  0.940730  0.748878  0.346895  1
  P  P217  1  0.166438  0.236674  0.446586  1
  P  P218  1  0.165722  0.571674  0.557697  1
  P  P219  1  0.166080  0.904174  0.502141  1
  P  P220  1  0.499055  0.238341  0.557697  1
  P  P221  1  0.499413  0.570841  0.502141  1
  P  P222  1  0.499771  0.903341  0.446586  1
  P  P223  1  0.832747  0.237507  0.502141  1
  P  P224  1  0.833104  0.570008  0.446586  1
  P  P225  1  0.832389  0.905007  0.557697  1
  P  P226  1  0.165341  0.114034  0.442952  1
  P  P227  1  0.164625  0.449033  0.554064  1
  P  P228  1  0.164983  0.781533  0.498508  1
  P  P229  1  0.497958  0.115700  0.554064  1
  P  P230  1  0.498316  0.448200  0.498508  1
  P  P231  1  0.498674  0.780700  0.442952  1
  P  P232  1  0.831650  0.114867  0.498508  1
  P  P233  1  0.832007  0.447367  0.442952  1
  P  P234  1  0.831292  0.782366  0.554064  1
  P  P235  1  0.148741  0.281469  0.571123  1
  P  P236  1  0.149099  0.613970  0.515568  1
  P  P237  1  0.149456  0.946470  0.460012  1
  P  P238  1  0.482432  0.280636  0.515568  1
  P  P239  1  0.482790  0.613137  0.460012  1
  P  P240  1  0.482074  0.948136  0.571123  1
  P  P241  1  0.816123  0.279803  0.460012  1
  P  P242  1  0.815407  0.614803  0.571123  1
  P  P243  1  0.815765  0.947303  0.515568  1
  P  P244  1  0.181964  0.071738  0.485082  1
  P  P245  1  0.182322  0.404238  0.429526  1
  P  P246  1  0.181606  0.739238  0.540637  1
  P  P247  1  0.515655  0.070905  0.429526  1
  P  P248  1  0.514940  0.405904  0.540637  1
  P  P249  1  0.515297  0.738405  0.485082  1
  P  P250  1  0.848273  0.072571  0.540637  1
  P  P251  1  0.848631  0.405071  0.485082  1
  P  P252  1  0.848989  0.737572  0.429526  1
  P  P253  1  0.212027  0.278157  0.420948  1
  P  P254  1  0.211312  0.613157  0.532059  1
  P  P255  1  0.211670  0.945657  0.476504  1
  P  P256  1  0.544645  0.279823  0.532059  1
  P  P257  1  0.545003  0.612323  0.476504  1
  P  P258  1  0.545361  0.944824  0.420948  1
  P  P259  1  0.878336  0.278990  0.476504  1
  P  P260  1  0.878694  0.611490  0.420948  1
  P  P261  1  0.877978  0.946490  0.532059  1
  P  P262  1  0.119751  0.072551  0.468590  1
  P  P263  1  0.119035  0.407550  0.579701  1
  P  P264  1  0.119393  0.740051  0.524145  1
  P  P265  1  0.452369  0.074217  0.579701  1
  P  P266  1  0.452727  0.406717  0.524145  1
  P  P267  1  0.453084  0.739218  0.468590  1
  P  P268  1  0.786060  0.073384  0.524145  1
  P  P269  1  0.786418  0.405884  0.468590  1
  P  P270  1  0.785702  0.740884  0.579701  1
  P  P271  1  0.169464  0.298593  0.461375  1
  P  P272  1  0.168748  0.633592  0.572486  1
  P  P273  1  0.169106  0.966092  0.516931  1
  P  P274  1  0.502082  0.300259  0.572486  1
  P  P275  1  0.502439  0.632759  0.516931  1
  P  P276  1  0.502797  0.965259  0.461375  1
  P  P277  1  0.835773  0.299426  0.516931  1
  P  P278  1  0.836131  0.631926  0.461375  1
  P  P279  1  0.835415  0.966926  0.572486  1
  P  P280  1  0.162314  0.052115  0.428163  1
  P  P281  1  0.161599  0.387115  0.539274  1
  P  P282  1  0.161957  0.719615  0.483718  1
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