# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   41.21271024
_cell_length_b   21.98972929
_cell_length_c   51.44426863
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.02902240
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P504
_cell_volume   46368.7587049
_cell_formula_units_Z   504
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  0.031017  0.535194  0.313135  1
  P  P2  1  0.026770  0.098504  0.386817  1
  P  P3  1  0.018076  0.392171  0.311256  1
  P  P4  1  0.016465  0.950899  0.384266  1
  P  P5  1  0.639799  0.330481  0.392062  1
  P  P6  1  0.641734  0.756419  0.323697  1
  P  P7  1  0.463226  0.587351  0.401848  1
  P  P8  1  0.466259  0.016511  0.330400  1
  P  P9  1  0.463871  0.301912  0.366414  1
  P  P10  1  0.464100  0.728736  0.295179  1
  P  P11  1  0.027035  0.737770  0.404461  1
  P  P12  1  0.029323  0.181197  0.332256  1
  P  P13  1  0.403636  0.544142  0.365521  1
  P  P14  1  0.405102  0.975664  0.294777  1
  P  P15  1  0.649123  0.438733  0.348972  1
  P  P16  1  0.641727  0.043164  0.360327  1
  P  P17  1  0.409745  0.466584  0.278217  1
  P  P18  1  0.396126  0.013107  0.359925  1
  P  P19  1  0.392930  0.438366  0.410971  1
  P  P20  1  0.391648  0.875622  0.339266  1
  P  P21  1  0.456296  0.629580  0.340285  1
  P  P22  1  0.454117  0.198075  0.411571  1
  P  P23  1  0.911426  0.667162  0.337930  1
  P  P24  1  0.903175  0.226392  0.410622  1
  P  P25  1  0.138483  0.464613  0.378170  1
  P  P26  1  0.133522  0.904297  0.302315  1
  P  P27  1  0.855149  0.764857  0.317526  1
  P  P28  1  0.844454  0.330388  0.394804  1
  P  P29  1  0.136614  0.739955  0.412057  1
  P  P30  1  0.139176  0.179587  0.339434  1
  P  P31  1  0.333096  0.521335  0.387089  1
  P  P32  1  0.336379  1.004087  0.324731  1
  P  P33  1  0.453237  0.343159  0.303994  1
  P  P34  1  0.455355  0.912276  0.375625  1
  P  P35  1  0.588088  0.676164  0.349016  1
  P  P36  1  0.588877  0.104767  0.278909  1
  P  P37  1  0.014473  0.759539  0.292332  1
  P  P38  1  0.017017  0.310293  0.365839  1
  P  P39  1  0.969625  0.283020  0.315801  1
  P  P40  1  0.965611  0.842432  0.389999  1
  P  P41  1  0.080819  0.376362  0.273388  1
  P  P42  1  0.077133  0.928934  0.343725  1
  P  P43  1  0.034989  0.264528  0.278044  1
  P  P44  1  0.029281  0.818351  0.350087  1
  P  P45  1  0.578648  0.428471  0.375560  1
  P  P46  1  0.581505  0.855738  0.304931  1
  P  P47  1  0.402720  0.401757  0.348750  1
  P  P48  1  0.405435  0.832170  0.279151  1
  P  P49  1  0.639997  0.472772  0.410349  1
  P  P50  1  0.641423  0.902165  0.338968  1
  P  P51  1  0.579952  0.284653  0.357716  1
  P  P52  1  0.582765  0.712036  0.288576  1
  P  P53  1  0.846766  0.683800  0.373827  1
  P  P54  1  0.855478  0.127104  0.302387  1
  P  P55  1  0.642510  0.614561  0.306843  1
  P  P56  1  0.640795  0.186638  0.376531  1
  P  P57  1  0.957090  0.498699  0.296434  1
  P  P58  1  0.954438  0.056156  0.369093  1
  P  P59  1  0.896364  0.521899  0.336745  1
  P  P60  1  0.891107  0.079466  0.408332  1
  P  P61  1  0.466726  0.582564  0.278460  1
  P  P62  1  0.464506  0.158054  0.349716  1
  P  P63  1  0.526159  0.344180  0.402152  1
  P  P64  1  0.526848  0.774681  0.329577  1
  P  P65  1  0.848276  0.412742  0.340495  1
  P  P66  1  0.869744  0.862546  0.266123  1
  P  P67  1  0.079684  0.289127  0.327126  1
  P  P68  1  0.077355  0.844713  0.398252  1
  P  P69  1  0.401572  0.687278  0.383696  1
  P  P70  1  0.402242  0.114319  0.315728  1
  P  P71  1  0.396212  0.596993  0.304590  1
  P  P72  1  0.391984  0.155797  0.377168  1
  P  P73  1  0.589788  0.388851  0.313859  1
  P  P74  1  0.589113  0.959434  0.384357  1
  P  P75  1  0.454700  0.772264  0.357154  1
  P  P76  1  0.455561  0.198315  0.289003  1
  P  P77  1  0.956575  0.778371  0.333449  1
  P  P78  1  0.954126  0.333323  0.405455  1
  P  P79  1  0.089768  0.354015  0.383589  1
  P  P80  1  0.088480  0.793584  0.309477  1
  P  P81  1  0.528797  0.487553  0.296014  1
  P  P82  1  0.527259  0.059556  0.366559  1
  P  P83  1  0.015286  0.589143  0.402316  1
  P  P84  1  0.016416  0.035577  0.329553  1
  P  P85  1  0.649497  0.580820  0.367414  1
  P  P86  1  0.650107  0.017951  0.299972  1
  P  P87  1  0.587659  0.246757  0.296003  1
  P  P88  1  0.589133  0.817901  0.366151  1
  P  P89  1  0.969143  0.561580  0.353090  1
  P  P90  1  0.974624  1.009249  0.279414  1
  P  P91  1  0.898769  0.606869  0.283300  1
  P  P92  1  0.893728  0.159687  0.354029  1
  P  P93  1  0.028766  0.456630  0.368402  1
  P  P94  1  0.030590  0.901009  0.294953  1
  P  P95  1  0.517663  0.383391  0.340305  1
  P  P96  1  0.517028  0.954809  0.411229  1
  P  P97  1  0.854928  0.494365  0.287242  1
  P  P98  1  0.848756  0.044620  0.355842  1
  P  P99  1  0.973605  0.641306  0.297848  1
  P  P100  1  0.965986  0.202775  0.370887  1
  P  P101  1  0.076573  0.566768  0.362407  1
  P  P102  1  0.076127  0.012624  0.289078  1
  P  P103  1  0.578613  0.570583  0.393519  1
  P  P104  1  0.580137  0.999369  0.322908  1
  P  P105  1  0.135208  0.264627  0.285556  1
  P  P106  1  0.135907  0.822708  0.356939  1
  P  P107  1  0.350044  0.498712  0.323518  1
  P  P108  1  0.338674  0.071706  0.400257  1
  P  P109  1  0.517145  0.812230  0.392998  1
  P  P110  1  0.517255  0.241272  0.322791  1
  P  P111  1  0.148736  0.607721  0.383084  1
  P  P112  1  0.147803  0.045028  0.309708  1
  P  P113  1  0.074484  0.649530  0.306079  1
  P  P114  1  0.078890  0.205622  0.380699  1
  P  P115  1  0.905363  0.586198  0.392933  1
  P  P116  1  0.911990  0.023885  0.318164  1
  P  P117  1  0.092577  0.435427  0.329560  1
  P  P118  1  0.088776  0.992490  0.401229  1
  P  P119  1  0.918571  0.747611  0.281564  1
  P  P120  1  0.906782  0.307887  0.356342  1
  P  P121  1  0.893573  0.437488  0.390778  1
  P  P122  1  0.895837  0.881059  0.321757  1
  P  P123  1  0.400182  0.831489  0.400708  1
  P  P124  1  0.402863  0.257086  0.332390  1
  P  P125  1  0.369316  0.360829  0.294959  1
  P  P126  1  0.339258  0.931322  0.381823  1
  P  P127  1  0.516810  0.671233  0.375433  1
  P  P128  1  0.518618  0.100118  0.305018  1
  P  P129  1  0.954995  0.694602  0.387943  1
  P  P130  1  0.955110  0.138776  0.313690  1
  P  P131  1  0.834346  0.538972  0.375912  1
  P  P132  1  0.842309  0.984767  0.298194  1
  P  P133  1  0.137402  0.554491  0.325500  1
  P  P134  1  0.138297  0.100347  0.394687  1
  P  P135  1  0.094889  0.518288  0.277174  1
  P  P136  1  0.088368  0.074685  0.347497  1
  P  P137  1  0.016615  0.672470  0.347513  1
  P  P138  1  0.018407  0.122762  0.275611  1
  P  P139  1  0.527119  0.345675  0.279825  1
  P  P140  1  0.527353  0.916309  0.348772  1
  P  P141  1  0.090104  0.710980  0.363404  1
  P  P142  1  0.091218  0.154588  0.292633  1
  P  P143  1  0.392442  0.733758  0.323732  1
  P  P144  1  0.391533  0.296865  0.393881  1
  P  P145  1  0.956466  0.415195  0.350992  1
  P  P146  1  0.953872  0.870743  0.279266  1
  P  P147  1  0.910739  0.389060  0.301878  1
  P  P148  1  0.906168  0.947240  0.375735  1
  P  P149  1  0.579274  0.712979  0.411239  1
  P  P150  1  0.581638  0.141233  0.340108  1
  P  P151  1  0.464758  0.443830  0.384664  1
  P  P152  1  0.465444  0.873974  0.312653  1
  P  P153  1  0.527296  0.631596  0.312269  1
  P  P154  1  0.526648  0.202122  0.384317  1
  P  P155  1  0.892885  0.796440  0.372869  1
  P  P156  1  0.895888  0.245403  0.301379  1
  P  P157  1  0.517650  0.528342  0.357852  1
  P  P158  1  0.520271  0.955945  0.288264  1
  P  P159  1  0.965056  0.481538  0.407946  1
  P  P160  1  0.970061  0.923942  0.335583  1
  P  P161  1  0.589039  0.534062  0.330652  1
  P  P162  1  0.588139  0.102780  0.402459  1
  P  P163  1  0.342178  0.639928  0.349791  1
  P  P164  1  0.350314  0.084386  0.274155  1
  P  P165  1  0.340577  0.785955  0.367426  1
  P  P166  1  0.378319  0.219771  0.274700  1
  P  P167  1  0.457190  0.484991  0.323788  1
  P  P168  1  0.455390  0.054686  0.394154  1
  P  P169  1  0.023892  0.656661  0.458701  1
  P  P170  1  0.021413  0.214955  0.530061  1
  P  P171  1  0.014189  0.507599  0.456238  1
  P  P172  1  0.011120  0.066173  0.527870  1
  P  P173  1  0.635286  0.469478  0.536375  1
  P  P174  1  0.638121  0.898002  0.466122  1
  P  P175  1  0.457497  0.729704  0.542568  1
  P  P176  1  0.461075  0.158088  0.472956  1
  P  P177  1  0.458753  0.443705  0.507574  1
  P  P178  1  0.461633  0.873645  0.436915  1
  P  P179  1  0.020131  0.853670  0.548280  1
  P  P180  1  0.023583  0.296231  0.476585  1
  P  P181  1  0.396749  0.686296  0.506825  1
  P  P182  1  0.400186  0.114247  0.437166  1
  P  P183  1  0.639437  0.614918  0.429030  1
  P  P184  1  0.637306  0.185817  0.499192  1
  P  P185  1  0.388582  0.583043  0.426933  1
  P  P186  1  0.387117  0.153440  0.498753  1
  P  P187  1  0.385463  0.581345  0.551751  1
  P  P188  1  0.389601  1.009437  0.481915  1
  P  P189  1  0.450349  0.768624  0.480928  1
  P  P190  1  0.448320  0.339687  0.551971  1
  P  P191  1  0.898937  0.784886  0.482915  1
  P  P192  1  0.896446  0.342645  0.554961  1
  P  P193  1  0.132800  0.582245  0.523053  1
  P  P194  1  0.136261  0.021726  0.450060  1
  P  P195  1  0.840101  0.890991  0.467947  1
  P  P196  1  0.836991  0.447730  0.539909  1
  P  P197  1  0.131093  0.854470  0.558104  1
  P  P198  1  0.135193  0.295537  0.485335  1
  P  P199  1  0.325895  0.682175  0.534163  1
  P  P200  1  0.328896  0.100158  0.462343  1
  P  P201  1  0.451948  0.483739  0.446542  1
  P  P202  1  0.449821  0.053685  0.517415  1
  P  P203  1  0.584013  0.818036  0.489933  1
  P  P204  1  0.588151  0.246128  0.420097  1
  P  P205  1  0.014877  0.868100  0.438122  1
  P  P206  1  0.011849  0.426278  0.509984  1
  P  P207  1  0.961765  0.401194  0.461864  1
  P  P208  1  0.958738  0.959373  0.533725  1
  P  P209  1  0.077168  0.484828  0.416887  1
  P  P210  1  0.074677  0.042587  0.488933  1
  P  P211  1  0.026077  0.377245  0.422770  1
  P  P212  1  0.022812  0.935903  0.494588  1
  P  P213  1  0.574841  0.569700  0.516943  1
  P  P214  1  0.578548  0.998223  0.446893  1
  P  P215  1  0.396282  0.543104  0.489264  1
  P  P216  1  0.398937  0.972921  0.420083  1
  P  P217  1  0.635035  0.615231  0.550127  1
  P  P218  1  0.638069  0.042631  0.481992  1
  P  P219  1  0.576273  0.427141  0.499478  1
  P  P220  1  0.578718  0.855749  0.428683  1
  P  P221  1  0.837353  0.805746  0.521788  1
  P  P222  1  0.840814  0.245227  0.448795  1
  P  P223  1  0.639093  0.757210  0.447319  1
  P  P224  1  0.636718  0.327334  0.520258  1
  P  P225  1  0.952201  0.612517  0.441787  1
  P  P226  1  0.949722  0.170811  0.513147  1
  P  P227  1  0.888476  0.637067  0.480384  1
  P  P228  1  0.887078  0.194470  0.552196  1
  P  P229  1  0.461957  0.731277  0.418917  1
  P  P230  1  0.460082  0.300629  0.490335  1
  P  P231  1  0.520099  0.487600  0.542632  1
  P  P232  1  0.523487  0.916923  0.472577  1
  P  P233  1  0.838422  0.531935  0.486512  1
  P  P234  1  0.842521  0.973003  0.413744  1
  P  P235  1  0.075459  0.402709  0.470991  1
  P  P236  1  0.071960  0.961762  0.542919  1
  P  P237  1  0.395066  0.829249  0.524954  1
  P  P238  1  0.398773  0.257773  0.454905  1
  P  P239  1  0.388335  0.725789  0.445166  1
  P  P240  1  0.386910  0.296141  0.516896  1
  P  P241  1  0.586703  0.531332  0.454952  1
  P  P242  1  0.585278  0.101684  0.526682  1
  P  P243  1  0.450126  0.910550  0.499271  1
  P  P244  1  0.453515  0.339873  0.429216  1
  P  P245  1  0.950802  0.891570  0.477260  1
  P  P246  1  0.947537  0.450228  0.549078  1
  P  P247  1  0.083628  0.471459  0.527365  1
  P  P248  1  0.086689  0.912363  0.455056  1
  P  P249  1  0.524518  0.631361  0.437125  1
  P  P250  1  0.523038  0.201175  0.508697  1
  P  P251  1  0.010025  0.705586  0.546043  1
  P  P252  1  0.013258  0.147389  0.473743  1
  P  P253  1  0.644718  0.727314  0.509505  1
  P  P254  1  0.647719  0.145298  0.437685  1
  P  P255  1  0.587662  0.388627  0.437279  1
  P  P256  1  0.585046  0.960386  0.508538  1
  P  P257  1  0.960356  0.680084  0.498105  1
  P  P258  1  0.963589  0.121887  0.425805  1
  P  P259  1  0.890426  0.716880  0.426111  1
  P  P260  1  0.887636  0.275999  0.498162  1
  P  P261  1  0.021941  0.575069  0.512551  1
  P  P262  1  0.025376  0.016747  0.440823  1
  P  P263  1  0.513532  0.526844  0.481513  1
  P  P264  1  0.511657  0.096196  0.552931  1
  P  P265  1  0.841633  0.609198  0.430748  1
  P  P266  1  0.837832  0.169085  0.504966  1
  P  P267  1  0.962494  0.761299  0.443978  1
  P  P268  1  0.959425  0.319874  0.515610  1
  P  P269  1  0.072992  0.682115  0.506518  1
  P  P270  1  0.076187  0.123427  0.434336  1
  P  P271  1  0.573428  0.713225  0.534682  1
  P  P272  1  0.576864  0.141177  0.465023  1
  P  P273  1  0.136623  0.379743  0.431939  1
  P  P274  1  0.133513  0.936482  0.503901  1
  P  P275  1  0.336308  0.641655  0.472656  1
  P  P276  1  0.334177  0.212554  0.542818  1
  P  P277  1  0.511980  0.953827  0.534933  1
  P  P278  1  0.514860  0.383768  0.464274  1
  P  P279  1  0.143013  0.729128  0.521907  1
  P  P280  1  0.146110  0.168100  0.450751  1
  P  P281  1  0.076273  0.763718  0.452978  1
  P  P282  1  0.073127  0.321753  0.524872  1
  P  P283  1  0.897427  0.704045  0.537512  1
  P  P284  1  0.900622  0.145357  0.465330  1
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  P  P361  1  0.118137  0.700369  0.669461  1
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  P  P363  1  0.837708  1.004765  0.614909  1
  P  P364  1  0.838406  0.562846  0.686292  1
  P  P365  1  0.103870  0.964927  0.705725  1
  P  P366  1  0.125338  0.414731  0.631353  1
  P  P367  1  0.323507  0.809522  0.671876  1
  P  P368  1  0.324117  0.246653  0.604434  1
  P  P369  1  0.446966  0.625351  0.587530  1
  P  P370  1  0.446318  0.195877  0.659579  1
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  P  P373  1  1.008004  0.985041  0.581849  1
  P  P374  1  1.003989  0.544453  0.656047  1
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  P  P377  1  0.070440  0.601080  0.561226  1
  P  P378  1  0.062188  0.160311  0.633918  1
  P  P379  1  0.019488  0.494150  0.566393  1
  P  P380  1  0.017039  0.049101  0.638399  1
  P  P381  1  0.571372  0.713154  0.656120  1
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  P  P387  1  0.570751  0.570387  0.639458  1
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  P  P463  1  0.508170  0.953499  0.659195  1
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  P  P465  1  0.943025  0.926463  0.676895  1
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  P  P503  1  0.446355  0.767917  0.605289  1
  P  P504  1  0.444817  0.339919  0.675834  1
