# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   31.99861397
_cell_length_b   42.40721377
_cell_length_c   52.22435801
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.45130327
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P756
_cell_volume   70097.4594829
_cell_formula_units_Z   756
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  0.398367  0.088590  0.278384  1
  P  P2  1  0.035273  0.108712  0.373057  1
  P  P3  1  0.715126  0.099475  0.325092  1
  P  P4  1  0.452890  0.106109  0.413073  1
  P  P5  1  0.134796  0.098301  0.365034  1
  P  P6  1  0.813706  0.087298  0.315447  1
  P  P7  1  0.541218  0.726827  0.401115  1
  P  P8  1  0.231754  0.716182  0.352994  1
  P  P9  1  0.920723  0.709867  0.307241  1
  P  P10  1  0.425783  0.542969  0.298726  1
  P  P11  1  0.045705  0.552459  0.395993  1
  P  P12  1  0.735604  0.545690  0.347885  1
  P  P13  1  0.547306  0.554156  0.395695  1
  P  P14  1  0.235569  0.544687  0.348060  1
  P  P15  1  0.922676  0.534876  0.300332  1
  P  P16  1  0.285029  0.108891  0.373694  1
  P  P17  1  0.967012  0.099940  0.323546  1
  P  P18  1  0.647406  0.088553  0.278248  1
  P  P19  1  0.377740  0.496955  0.413900  1
  P  P20  1  0.064686  0.486296  0.367788  1
  P  P21  1  0.753151  0.478843  0.318443  1
  P  P22  1  0.417796  0.689999  0.298447  1
  P  P23  1  0.042148  0.726768  0.401384  1
  P  P24  1  0.733541  0.721695  0.357573  1
  P  P25  1  0.431833  0.476203  0.331562  1
  P  P26  1  0.117116  0.460002  0.290101  1
  P  P27  1  0.740055  0.480183  0.381906  1
  P  P28  1  0.526145  0.469884  0.308990  1
  P  P29  1  0.145349  0.482226  0.406455  1
  P  P30  1  0.834091  0.475541  0.357893  1
  P  P31  1  0.315662  0.542243  0.386654  1
  P  P32  1  1.003311  0.532136  0.339516  1
  P  P33  1  0.695175  0.526822  0.291783  1
  P  P34  1  0.309567  0.974575  0.325212  1
  P  P35  1  0.994556  0.967665  0.276956  1
  P  P36  1  0.628874  0.986041  0.371396  1
  P  P37  1  0.472661  0.207943  0.319423  1
  P  P38  1  0.106806  0.227302  0.416450  1
  P  P39  1  0.787550  0.218049  0.368636  1
  P  P40  1  0.231136  0.914575  0.325868  1
  P  P41  1  0.919448  0.909714  0.275281  1
  P  P42  1  0.551410  0.926322  0.371399  1
  P  P43  1  0.292513  0.218290  0.367226  1
  P  P44  1  0.944642  0.214272  0.334328  1
  P  P45  1  0.609200  0.226963  0.415726  1
  P  P46  1  0.358839  0.415512  0.326616  1
  P  P47  1  0.068065  0.422199  0.403219  1
  P  P48  1  0.664643  0.419112  0.377176  1
  P  P49  1  0.506520  0.536223  0.338578  1
  P  P50  1  0.189837  0.522139  0.291926  1
  P  P51  1  0.815945  0.541930  0.386817  1
  P  P52  1  0.290722  0.672035  0.381319  1
  P  P53  1  0.979236  0.662869  0.334248  1
  P  P54  1  0.672548  0.655634  0.286326  1
  P  P55  1  0.203234  0.106473  0.413296  1
  P  P56  1  0.883723  0.096085  0.364556  1
  P  P57  1  0.565657  0.087347  0.315924  1
  P  P58  1  0.569875  0.026293  0.277809  1
  P  P59  1  0.206736  0.047604  0.372631  1
  P  P60  1  0.888572  0.039285  0.322860  1
  P  P61  1  0.462468  0.158247  0.365965  1
  P  P62  1  0.145737  0.148949  0.317677  1
  P  P63  1  0.780650  0.166874  0.414308  1
  P  P64  1  0.534650  0.108858  0.373207  1
  P  P65  1  0.217497  0.100060  0.325979  1
  P  P66  1  0.897828  0.092633  0.278131  1
  P  P67  1  0.467125  0.666092  0.396861  1
  P  P68  1  0.154342  0.656588  0.348474  1
  P  P69  1  0.845123  0.649983  0.301504  1
  P  P70  1  0.471050  0.492226  0.389760  1
  P  P71  1  0.160299  0.483509  0.344383  1
  P  P72  1  0.847904  0.474280  0.297077  1
  P  P73  1  0.502613  0.669379  0.273194  1
  P  P74  1  0.135600  0.721655  0.376136  1
  P  P75  1  0.825446  0.715432  0.329984  1
  P  P76  1  0.564009  0.663063  0.373379  1
  P  P77  1  0.247333  0.650688  0.324227  1
  P  P78  1  0.938488  0.644625  0.278465  1
  P  P79  1  0.298776  0.924768  0.372601  1
  P  P80  1  0.980513  0.916973  0.323459  1
  P  P81  1  0.669385  0.908967  0.275390  1
  P  P82  1  0.325969  0.708521  0.327877  1
  P  P83  1  0.012583  0.704203  0.283623  1
  P  P84  1  0.637227  0.724517  0.378675  1
  P  P85  1  0.374518  0.044460  0.412254  1
  P  P86  1  0.056251  0.036072  0.363254  1
  P  P87  1  0.737287  0.026749  0.314431  1
  P  P88  1  0.410162  0.969924  0.313334  1
  P  P89  1  0.046579  0.984559  0.410785  1
  P  P90  1  0.728520  0.975801  0.362094  1
  P  P91  1  0.331642  0.545076  0.322640  1
  P  P92  1  0.016512  0.529197  0.278254  1
  P  P93  1  0.641220  0.549900  0.371849  1
  P  P94  1  0.595486  0.596551  0.281639  1
  P  P95  1  0.215392  0.610447  0.376747  1
  P  P96  1  0.903460  0.601691  0.328291  1
  P  P97  1  0.482786  0.914933  0.325479  1
  P  P98  1  0.155443  0.903767  0.288539  1
  P  P99  1  0.800311  0.927287  0.369919  1
  P  P100  1  0.531135  0.167052  0.414363  1
  P  P101  1  0.213636  0.158566  0.366204  1
  P  P102  1  0.887675  0.147013  0.318912  1
  P  P103  1  0.351129  0.480130  0.294983  1
  P  P104  1  0.970086  0.489858  0.390992  1
  P  P105  1  0.660302  0.484130  0.343066  1
  P  P106  1  0.336859  0.478854  0.356914  1
  P  P107  1  0.022927  0.464716  0.312057  1
  P  P108  1  0.645256  0.484053  0.405762  1
  P  P109  1  0.486079  0.667482  0.334912  1
  P  P110  1  0.166005  0.651356  0.286784  1
  P  P111  1  0.793153  0.674260  0.382348  1
  P  P112  1  0.220865  0.544626  0.410870  1
  P  P113  1  0.909152  0.536724  0.362599  1
  P  P114  1  0.600735  0.531094  0.314682  1
  P  P115  1  0.240016  0.027083  0.315468  1
  P  P116  1  0.874575  0.044570  0.412078  1
  P  P117  1  0.555659  0.034806  0.363704  1
  P  P118  1  0.543993  0.160523  0.326093  1
  P  P119  1  0.227184  0.149710  0.280027  1
  P  P120  1  0.863312  0.172277  0.373788  1
  P  P121  1  0.408371  0.607018  0.330338  1
  P  P122  1  0.091342  0.591131  0.281741  1
  P  P123  1  0.717058  0.612098  0.377083  1
  P  P124  1  0.384206  0.096737  0.365117  1
  P  P125  1  0.067254  0.088332  0.315838  1
  P  P126  1  0.702754  0.105777  0.413062  1
  P  P127  1  0.361354  0.733259  0.386208  1
  P  P128  1  0.052901  0.723612  0.339323  1
  P  P129  1  0.738693  0.718441  0.297178  1
  P  P130  1  0.580445  0.663080  0.310583  1
  P  P131  1  0.196779  0.677218  0.405116  1
  P  P132  1  0.885925  0.669130  0.357813  1
  P  P133  1  0.387479  0.039199  0.325264  1
  P  P134  1  0.074067  0.026549  0.279066  1
  P  P135  1  0.706634  0.048193  0.371875  1
  P  P136  1  0.296307  0.982995  0.411326  1
  P  P137  1  0.977597  0.975078  0.362728  1
  P  P138  1  0.659922  0.965791  0.314094  1
  P  P139  1  0.466297  0.099326  0.325687  1
  P  P140  1  0.149898  0.089576  0.278570  1
  P  P141  1  0.785448  0.109814  0.372569  1
  P  P142  1  0.487826  0.601367  0.368187  1
  P  P143  1  0.171648  0.588774  0.320538  1
  P  P144  1  0.797541  0.608590  0.415910  1
  P  P145  1  0.406414  0.902990  0.288721  1
  P  P146  1  0.046444  0.925100  0.372837  1
  P  P147  1  0.731300  0.917976  0.323180  1
  P  P148  1  0.321824  0.025209  0.278945  1
  P  P149  1  0.956492  0.048360  0.371380  1
  P  P150  1  0.637320  0.037650  0.324385  1
  P  P151  1  0.394676  0.148281  0.317632  1
  P  P152  1  0.030673  0.166396  0.414205  1
  P  P153  1  0.711202  0.157103  0.366260  1
  P  P154  1  0.420558  0.617482  0.271483  1
  P  P155  1  0.060714  0.660561  0.373066  1
  P  P156  1  0.752089  0.654502  0.326059  1
  P  P157  1  0.540838  0.217322  0.367539  1
  P  P158  1  0.224970  0.207356  0.319350  1
  P  P159  1  0.857688  0.226521  0.416527  1
  P  P160  1  0.395771  0.431562  0.383358  1
  P  P161  1  0.086362  0.421253  0.341868  1
  P  P162  1  0.758210  0.415405  0.353365  1
  P  P163  1  0.262300  0.583255  0.295626  1
  P  P164  1  0.891672  0.604040  0.391709  1
  P  P165  1  0.582478  0.597742  0.343904  1
  P  P166  1  0.377066  0.220527  0.331975  1
  P  P167  1  0.032400  0.229308  0.306529  1
  P  P168  1  0.689627  0.229935  0.376320  1
  P  P169  1  0.281308  0.167862  0.414642  1
  P  P170  1  0.962136  0.155115  0.365301  1
  P  P171  1  0.642893  0.148017  0.317524  1
  P  P172  1  0.377763  0.986577  0.371713  1
  P  P173  1  0.060366  0.974907  0.325000  1
  P  P174  1  0.742460  0.968330  0.275852  1
  P  P175  1  0.475235  0.149450  0.279808  1
  P  P176  1  0.113382  0.171575  0.374602  1
  P  P177  1  0.791498  0.161734  0.326284  1
  P  P178  1  0.241351  0.963836  0.278990  1
  P  P179  1  0.878226  0.987541  0.370315  1
  P  P180  1  0.559330  0.975846  0.324070  1
  P  P181  1  0.476443  0.973311  0.363173  1
  P  P182  1  0.160641  0.970839  0.313041  1
  P  P183  1  0.796923  0.983872  0.411016  1
  P  P184  1  0.256580  0.481012  0.318320  1
  P  P185  1  0.875749  0.494454  0.414549  1
  P  P186  1  0.565320  0.487995  0.366109  1
  P  P187  1  0.488482  0.428307  0.358302  1
  P  P188  1  0.182323  0.419983  0.319350  1
  P  P189  1  0.800222  0.433595  0.409128  1
  P  P190  1  0.295938  0.607518  0.416103  1
  P  P191  1  0.984658  0.598710  0.367863  1
  P  P192  1  0.675974  0.592665  0.320377  1
  P  P193  1  0.305496  0.035211  0.363883  1
  P  P194  1  0.989650  0.026794  0.315099  1
  P  P195  1  0.624507  0.044532  0.411978  1
  P  P196  1  0.392565  0.914921  0.354470  1
  P  P197  1  0.140269  0.915648  0.353921  1
  P  P198  1  0.718478  0.924708  0.408359  1
  P  P199  1  0.360072  0.227653  0.415298  1
  P  P200  1  0.035243  0.217951  0.368341  1
  P  P201  1  0.719216  0.208137  0.320469  1
  P  P202  1  0.363224  0.169033  0.375676  1
  P  P203  1  0.046633  0.161156  0.327743  1
  P  P204  1  0.723092  0.150579  0.279837  1
  P  P205  1  0.316430  0.087947  0.316011  1
  P  P206  1  0.952525  0.105447  0.413389  1
  P  P207  1  0.633273  0.096330  0.364595  1
  P  P208  1  0.502544  0.602447  0.304745  1
  P  P209  1  0.121526  0.614775  0.400693  1
  P  P210  1  0.810994  0.607296  0.353057  1
  P  P211  1  0.296600  0.161230  0.326503  1
  P  P212  1  0.971250  0.164860  0.288874  1
  P  P213  1  0.612615  0.170252  0.373992  1
  P  P214  1  0.240797  0.478466  0.381443  1
  P  P215  1  0.928818  0.470200  0.334166  1
  P  P216  1  0.620937  0.465122  0.287596  1
  P  P217  1  0.488890  0.026666  0.315406  1
  P  P218  1  0.124810  0.045391  0.411987  1
  P  P219  1  0.806205  0.035859  0.362911  1
  P  P220  1  0.490314  0.963963  0.278347  1
  P  P221  1  0.127556  0.986794  0.371698  1
  P  P222  1  0.810289  0.977616  0.322317  1
  P  P223  1  0.337719  0.640264  0.299331  1
  P  P224  1  0.967139  0.666359  0.396762  1
  P  P225  1  0.659315  0.660556  0.348793  1
  P  P226  1  0.519857  0.535486  0.277375  1
  P  P227  1  0.140021  0.548343  0.372439  1
  P  P228  1  0.828089  0.540351  0.323142  1
  P  P229  1  0.310495  0.607460  0.353111  1
  P  P230  1  0.997855  0.596677  0.304534  1
  P  P231  1  0.623126  0.616517  0.400794  1
  P  P232  1  0.226037  0.973646  0.362982  1
  P  P233  1  0.911225  0.966756  0.314030  1
  P  P234  1  0.546936  0.983286  0.411254  1
  P  P235  1  0.391159  0.604409  0.392261  1
  P  P236  1  0.078549  0.594307  0.343905  1
  P  P237  1  0.769531  0.588719  0.296838  1
  P  P238  1  0.456635  0.047150  0.372522  1
  P  P239  1  0.138793  0.040080  0.325579  1
  P  P240  1  0.820778  0.029337  0.276491  1
  P  P241  1  0.387891  0.670367  0.357772  1
  P  P242  1  0.073211  0.658494  0.309656  1
  P  P243  1  0.698219  0.678105  0.406286  1
  P  P244  1  0.303674  0.434825  0.409269  1
  P  P245  1  0.989842  0.424860  0.363578  1
  P  P246  1  0.678478  0.418255  0.315575  1
  P  P247  1  0.267425  0.416223  0.351737  1
  P  P248  1  0.894187  0.429829  0.385229  1
  P  P249  1  0.584742  0.423395  0.337994  1
  P  P250  1  0.411420  0.540064  0.362020  1
  P  P251  1  0.096942  0.526972  0.315705  1
  P  P252  1  0.721651  0.546359  0.410797  1
  P  P253  1  0.353168  0.117683  0.422258  1
  P  P254  1  0.989411  0.135740  0.518281  1
  P  P255  1  0.671586  0.127317  0.469754  1
  P  P256  1  0.408027  0.133284  0.557757  1
  P  P257  1  0.089431  0.124083  0.509823  1
  P  P258  1  0.771503  0.115235  0.461467  1
  P  P259  1  0.474636  0.751227  0.545353  1
  P  P260  1  0.165394  0.742790  0.498785  1
  P  P261  1  0.854319  0.735154  0.449915  1
  P  P262  1  0.358350  0.561780  0.443603  1
  P  P263  1  0.979669  0.577146  0.538600  1
  P  P264  1  0.669169  0.569724  0.491259  1
  P  P265  1  0.480846  0.577968  0.538952  1
  P  P266  1  0.168855  0.568635  0.491196  1
  P  P267  1  0.857388  0.560968  0.443397  1
  P  P268  1  0.239785  0.136096  0.518246  1
  P  P269  1  0.921123  0.127262  0.469669  1
  P  P270  1  0.603232  0.118355  0.421559  1
  P  P271  1  0.311421  0.519976  0.557960  1
  P  P272  1  0.998726  0.510896  0.509584  1
  P  P273  1  0.687647  0.503769  0.462012  1
  P  P274  1  0.351680  0.735226  0.448613  1
  P  P275  1  0.976181  0.752001  0.545125  1
  P  P276  1  0.664019  0.744168  0.496460  1
  P  P277  1  0.362884  0.495488  0.477288  1
  P  P278  1  0.050484  0.487066  0.430607  1
  P  P279  1  0.673475  0.504165  0.525297  1
  P  P280  1  0.458155  0.493417  0.453067  1
  P  P281  1  0.079277  0.506343  0.548538  1
  P  P282  1  0.768078  0.500003  0.501165  1
  P  P283  1  0.249031  0.565132  0.529907  1
  P  P284  1  0.937730  0.557457  0.482161  1
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  P  P756  1  0.591555  0.598620  0.696843  1
