# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.93293585
_cell_length_b   125.67509251
_cell_length_c   55.46012056
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.78446332
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P1008
_cell_volume   90035.5645865
_cell_formula_units_Z   1008
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  0.144359  0.640081  0.338959  1
  P  P2  1  0.596861  0.971703  0.377636  1
  P  P3  1  0.691119  0.308303  0.302645  1
  P  P4  1  0.390293  0.645070  0.325019  1
  P  P5  1  0.847509  0.975903  0.362857  1
  P  P6  1  0.943789  0.312604  0.287803  1
  P  P7  1  0.437389  0.435545  0.345913  1
  P  P8  1  0.889021  0.767064  0.379948  1
  P  P9  1  0.993966  0.118152  0.286008  1
  P  P10  1  0.088294  0.492897  0.372828  1
  P  P11  1  0.167386  0.830033  0.298017  1
  P  P12  1  0.634389  0.160346  0.335838  1
  P  P13  1  0.586373  0.492787  0.372964  1
  P  P14  1  0.665528  0.829303  0.298963  1
  P  P15  1  0.138196  0.160553  0.336642  1
  P  P16  1  0.721049  0.641318  0.281207  1
  P  P17  1  0.166681  0.974743  0.319910  1
  P  P18  1  0.619555  0.305266  0.359374  1
  P  P19  1  0.845806  0.517097  0.292964  1
  P  P20  1  0.306021  0.847751  0.329046  1
  P  P21  1  0.759953  0.179453  0.366330  1
  P  P22  1  0.930996  0.436151  0.340304  1
  P  P23  1  0.387264  0.766777  0.378455  1
  P  P24  1  0.493234  0.112815  0.293805  1
  P  P25  1  0.098677  0.517402  0.352257  1
  P  P26  1  0.185014  0.855795  0.282346  1
  P  P27  1  0.627136  0.184563  0.315976  1
  P  P28  1  0.348407  0.516541  0.351058  1
  P  P29  1  0.430598  0.851691  0.275999  1
  P  P30  1  0.890231  0.186216  0.319548  1
  P  P31  1  0.711877  0.498041  0.321506  1
  P  P32  1  0.168584  0.829150  0.357872  1
  P  P33  1  0.262120  0.163357  0.284935  1
  P  P34  1  0.503334  0.348338  0.298989  1
  P  P35  1  0.955166  0.679246  0.334939  1
  P  P36  1  0.408880  0.012161  0.375310  1
  P  P37  1  0.504733  0.601982  0.382254  1
  P  P38  1  0.596847  0.939677  0.307917  1
  P  P39  1  0.050511  0.269733  0.348170  1
  P  P40  1  0.372074  0.366653  0.326351  1
  P  P41  1  0.831128  0.698454  0.361584  1
  P  P42  1  0.903741  0.034746  0.288061  1
  P  P43  1  0.663300  0.614906  0.266564  1
  P  P44  1  0.111712  0.939162  0.308992  1
  P  P45  1  0.564392  0.269492  0.348880  1
  P  P46  1  0.249400  0.535429  0.381288  1
  P  P47  1  0.362130  0.871089  0.308671  1
  P  P48  1  0.748979  0.204088  0.342935  1
  P  P49  1  0.213184  0.497906  0.321275  1
  P  P50  1  0.668505  0.829274  0.357397  1
  P  P51  1  0.769369  0.169115  0.285721  1
  P  P52  1  0.585123  0.452838  0.316570  1
  P  P53  1  0.024794  0.785409  0.349244  1
  P  P54  1  0.484920  0.118199  0.389178  1
  P  P55  1  0.822433  0.641697  0.381749  1
  P  P56  1  0.918312  0.978940  0.305610  1
  P  P57  1  0.372055  0.309323  0.344804  1
  P  P58  1  0.133541  0.329590  0.273345  1
  P  P59  1  0.586024  0.660376  0.306906  1
  P  P60  1  0.036802  0.993553  0.347424  1
  P  P61  1  0.448407  0.623238  0.353534  1
  P  P62  1  0.547370  0.960906  0.279409  1
  P  P63  1  0.998966  0.290828  0.317960  1
  P  P64  1  0.644087  0.639622  0.338077  1
  P  P65  1  0.095604  0.971850  0.377241  1
  P  P66  1  0.192183  0.308291  0.302609  1
  P  P67  1  0.317166  0.454429  0.373204  1
  P  P68  1  0.398090  0.790284  0.300690  1
  P  P69  1  0.866957  0.123104  0.335561  1
  P  P70  1  0.097467  0.517218  0.293274  1
  P  P71  1  0.550656  0.849089  0.327498  1
  P  P72  1  0.018004  0.179564  0.367196  1
  P  P73  1  0.184532  0.435856  0.344397  1
  P  P74  1  0.638150  0.766788  0.381685  1
  P  P75  1  0.739054  0.119424  0.285702  1
  P  P76  1  0.567180  0.454893  0.374044  1
  P  P77  1  0.649998  0.791001  0.299851  1
  P  P78  1  0.114591  0.121883  0.336878  1
  P  P79  1  0.437564  0.369100  0.271339  1
  P  P80  1  0.905780  0.700122  0.305399  1
  P  P81  1  0.356200  0.033075  0.344936  1
  P  P82  1  0.684638  0.434693  0.354534  1
  P  P83  1  0.138556  0.766839  0.379536  1
  P  P84  1  0.245945  0.116421  0.288019  1
  P  P85  1  0.813616  0.331208  0.314931  1
  P  P86  1  0.261778  0.663343  0.350827  1
  P  P87  1  0.357377  1.000614  0.277427  1
  P  P88  1  0.753632  0.352366  0.286545  1
  P  P89  1  0.199715  0.684151  0.320216  1
  P  P90  1  0.658453  0.016209  0.361539  1
  P  P91  1  0.836670  0.492986  0.372877  1
  P  P92  1  0.915344  0.829019  0.298962  1
  P  P93  1  0.385602  0.160122  0.335726  1
  P  P94  1  0.456288  0.473333  0.343466  1
  P  P95  1  0.907661  0.804662  0.378894  1
  P  P96  1  1.002547  0.141768  0.306761  1
  P  P97  1  0.297702  0.364346  0.383019  1
  P  P98  1  0.394120  0.698689  0.302631  1
  P  P99  1  0.843411  0.033218  0.344426  1
  P  P100  1  0.508737  0.627866  0.295675  1
  P  P101  1  0.975720  0.957255  0.335403  1
  P  P102  1  0.428570  0.287677  0.374710  1
  P  P103  1  0.595223  0.517266  0.293359  1
  P  P104  1  0.051097  0.848010  0.328747  1
  P  P105  1  0.510758  0.179257  0.366436  1
  P  P106  1  0.847133  0.517299  0.351746  1
  P  P107  1  0.933963  0.852740  0.278468  1
  P  P108  1  0.379586  0.183550  0.311067  1
  P  P109  1  0.081784  0.454788  0.313143  1
  P  P110  1  0.525704  0.785375  0.349975  1
  P  P111  1  0.984294  0.116932  0.387379  1
  P  P112  1  0.463589  0.497515  0.320841  1
  P  P113  1  0.918138  0.829234  0.358093  1
  P  P114  1  0.014901  0.165866  0.285409  1
  P  P115  1  0.314972  0.331199  0.315085  1
  P  P116  1  0.761628  0.663038  0.351025  1
  P  P117  1  0.859371  1.000663  0.277933  1
  P  P118  1  0.698466  0.618787  0.369502  1
  P  P119  1  0.794042  0.956114  0.293458  1
  P  P120  1  0.245759  0.286412  0.331792  1
  P  P121  1  0.957058  0.474117  0.342935  1
  P  P122  1  0.407188  0.804900  0.379453  1
  P  P123  1  0.497934  0.139930  0.305456  1
  P  P124  1  0.322161  0.641748  0.381820  1
  P  P125  1  0.416427  0.979222  0.305781  1
  P  P126  1  0.871137  0.309549  0.344758  1
  P  P127  1  0.733454  0.433001  0.300002  1
  P  P128  1  0.169382  0.767591  0.321834  1
  P  P129  1  0.519912  0.100703  0.351945  1
  P  P130  1  0.332544  0.454137  0.314610  1
  P  P131  1  0.773735  0.785410  0.349836  1
  P  P132  1  0.232688  0.116844  0.388234  1
  P  P133  1  0.632682  0.329755  0.273558  1
  P  P134  1  0.085337  0.660623  0.306739  1
  P  P135  1  0.538616  0.993091  0.347662  1
  P  P136  1  0.683445  0.350099  0.342162  1
  P  P137  1  0.134401  0.681819  0.378498  1
  P  P138  1  0.231027  0.019066  0.304055  1
  P  P139  1  0.227549  0.642807  0.281848  1
  P  P140  1  0.669134  0.974668  0.320149  1
  P  P141  1  0.120811  0.305267  0.359399  1
  P  P142  1  0.078445  0.478995  0.292617  1
  P  P143  1  0.533099  0.809723  0.328062  1
  P  P144  1  1.000374  0.141560  0.366013  1
  P  P145  1  0.880915  0.366369  0.326893  1
  P  P146  1  0.326259  0.698270  0.360689  1
  P  P147  1  0.430789  0.034212  0.288497  1
  P  P148  1  0.562491  0.327124  0.329783  1
  P  P149  1  0.014356  0.658700  0.365939  1
  P  P150  1  0.107189  0.996408  0.290703  1
  P  P151  1  0.025929  0.627650  0.296023  1
  P  P152  1  0.476613  0.957817  0.335781  1
  P  P153  1  0.929482  0.288184  0.375166  1
  P  P154  1  0.067297  0.454789  0.371924  1
  P  P155  1  0.150426  0.791060  0.299397  1
  P  P156  1  0.620833  0.123443  0.336883  1
  P  P157  1  0.586183  0.606744  0.323888  1
  P  P158  1  0.036143  0.936182  0.365143  1
  P  P159  1  0.073657  0.293575  0.263366  1
  P  P160  1  0.980356  0.535642  0.321902  1
  P  P161  1  0.440959  0.867384  0.362029  1
  P  P162  1  0.494656  0.202378  0.344949  1
  P  P163  1  0.328588  0.478266  0.292880  1
  P  P164  1  0.783459  0.810027  0.328085  1
  P  P165  1  0.249215  0.141073  0.366563  1
  P  P166  1  0.823838  0.600395  0.345455  1
  P  P167  1  0.353912  0.935186  0.323918  1
  P  P168  1  0.806719  0.265633  0.363771  1
  P  P169  1  0.953714  0.623468  0.355300  1
  P  P170  1  0.047200  0.960041  0.279972  1
  P  P171  1  0.499702  0.290481  0.318194  1
  P  P172  1  0.932036  0.345459  0.356324  1
  P  P173  1  0.023468  0.681870  0.278428  1
  P  P174  1  0.479792  0.014014  0.318358  1
  P  P175  1  0.266509  0.621336  0.311764  1
  P  P176  1  0.725215  0.952947  0.349738  1
  P  P177  1  0.821350  0.290263  0.275727  1
  P  P178  1  0.431938  0.345970  0.356450  1
  P  P179  1  0.535809  0.681662  0.278120  1
  P  P180  1  0.979445  0.015096  0.317913  1
  P  P181  1  0.180836  0.349934  0.341583  1
  P  P182  1  0.635962  0.681981  0.377667  1
  P  P183  1  0.722514  0.018630  0.303559  1
  P  P184  1  0.347154  0.517180  0.292967  1
  P  P185  1  0.801412  0.848348  0.328238  1
  P  P186  1  0.267778  0.180403  0.364872  1
  P  P187  1  0.231080  0.535844  0.322417  1
  P  P188  1  0.689218  0.867225  0.357768  1
  P  P189  1  0.763800  0.199970  0.282881  1
  P  P190  1  0.579710  0.477294  0.293674  1
  P  P191  1  0.034779  0.810253  0.327836  1
  P  P192  1  0.498782  0.141766  0.365788  1
  P  P193  1  0.742307  0.328345  0.372190  1
  P  P194  1  0.830668  0.665495  0.292997  1
  P  P195  1  0.286541  0.997626  0.333776  1
  P  P196  1  0.053329  0.368065  0.370085  1
  P  P197  1  0.076561  0.702379  0.348139  1
  P  P198  1  0.600363  0.037126  0.331169  1
  P  P199  1  0.061177  0.605898  0.325605  1
  P  P200  1  0.534293  0.936054  0.364977  1
  P  P201  1  0.573255  0.293341  0.263609  1
  P  P202  1  0.201302  0.618456  0.368472  1
  P  P203  1  0.297366  0.956209  0.293295  1
  P  P204  1  0.748803  0.286483  0.331784  1
  P  P205  1  0.892690  0.644908  0.324369  1
  P  P206  1  0.347105  0.976080  0.363313  1
  P  P207  1  0.444847  0.312453  0.288182  1
  P  P208  1  0.206951  0.473609  0.343086  1
  P  P209  1  0.657663  0.804780  0.379006  1
  P  P210  1  0.752363  0.143210  0.305005  1
  P  P211  1  0.787181  0.621293  0.312830  1
  P  P212  1  0.224944  0.953338  0.350404  1
  P  P213  1  0.321281  0.290122  0.276164  1
  P  P214  1  0.597771  0.516951  0.351645  1
  P  P215  1  0.683402  0.852917  0.277779  1
  P  P216  1  0.134190  0.184623  0.314879  1
  P  P217  1  0.243645  0.328371  0.372012  1
  P  P218  1  0.335340  0.666389  0.293341  1
  P  P219  1  0.788456  0.997709  0.333603  1
  P  P220  1  1.002501  0.348067  0.298607  1
  P  P221  1  0.459331  0.679522  0.334880  1
  P  P222  1  0.908882  0.012412  0.375096  1
  P  P223  1  0.820440  0.454829  0.372325  1
  P  P224  1  0.900205  0.791269  0.299869  1
  P  P225  1  0.367158  0.121418  0.338379  1
  P  P226  1  0.338068  0.492582  0.372839  1
  P  P227  1  0.418041  0.828689  0.298999  1
  P  P228  1  0.887388  0.161087  0.336132  1
  P  P229  1  0.706129  0.473776  0.343350  1
  P  P230  1  0.156674  0.804850  0.379476  1
  P  P231  1  0.249923  0.140235  0.308082  1
  P  P232  1  0.253961  0.352251  0.285429  1
  P  P233  1  0.707524  0.684165  0.320316  1
  P  P234  1  0.160049  0.016519  0.360554  1
  P  P235  1  0.829889  0.479852  0.292223  1
  P  P236  1  0.282944  0.810234  0.327663  1
  P  P237  1  0.751477  0.141982  0.365901  1
  P  P238  1  0.062920  0.326906  0.329475  1
  P  P239  1  0.515608  0.658708  0.365672  1
  P  P240  1  0.608056  0.995624  0.289882  1
  P  P241  1  0.831292  0.455757  0.312753  1
  P  P242  1  0.275831  0.786244  0.350982  1
  P  P243  1  0.735472  0.117063  0.386301  1
  P  P244  1  0.729867  0.535673  0.321856  1
  P  P245  1  0.191312  0.867032  0.353417  1
  P  P246  1  0.205775  0.184820  0.261111  1
  P  P247  1  0.479112  0.535683  0.323690  1
  P  P248  1  0.938973  0.866994  0.357303  1
  P  P249  1  0.962676  0.188281  0.264923  1
  P  P250  1  0.963702  0.498446  0.321910  1
  P  P251  1  0.419897  0.829066  0.357826  1
  P  P252  1  0.516609  0.164403  0.285528  1
  P  P253  1  0.501584  0.634661  0.452863  1
  P  P254  1  0.955454  0.965958  0.491294  1
  P  P255  1  0.049556  0.302546  0.416580  1
  P  P256  1  0.753069  0.638582  0.438273  1
  P  P257  1  0.207033  0.969926  0.476807  1
  P  P258  1  0.301131  0.306582  0.401904  1
  P  P259  1  0.808351  0.430167  0.451111  1
  P  P260  1  0.262105  0.761618  0.488667  1
  P  P261  1  0.353562  0.098325  0.414435  1
  P  P262  1  0.458033  0.487019  0.483077  1
  P  P263  1  0.541225  0.823866  0.409041  1
  P  P264  1  1.003616  0.155471  0.446732  1
  P  P265  1  0.958551  0.487233  0.483169  1
  P  P266  1  0.041445  0.824106  0.408999  1
  P  P267  1  0.502913  0.155509  0.447071  1
  P  P268  1  0.072792  0.637448  0.396568  1
  P  P269  1  0.525220  0.968836  0.434291  1
  P  P270  1  0.978402  0.299857  0.473261  1
  P  P271  1  0.221590  0.511616  0.403092  1
  P  P272  1  0.675013  0.842950  0.438444  1
  P  P273  1  0.137417  0.174393  0.476538  1
  P  P274  1  0.306690  0.429889  0.453971  1
  P  P275  1  0.761013  0.761376  0.488884  1
  P  P276  1  0.850852  0.098196  0.417024  1
  P  P277  1  0.469598  0.511684  0.462112  1
  P  P278  1  0.553142  0.847973  0.386966  1
  P  P279  1  0.012729  0.180462  0.426125  1
  P  P280  1  0.721252  0.511835  0.462367  1
  P  P281  1  0.804342  0.848627  0.387730  1
  P  P282  1  0.263070  0.179424  0.424523  1
  P  P283  1  0.086112  0.492750  0.432487  1
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  P  P866  1  0.653761  0.771322  0.684405  1
  P  P867  1  0.099383  0.102132  0.717004  1
  P  P868  1  0.577059  0.481539  0.652006  1
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  P  P885  1  0.671217  0.083783  0.686801  1
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  P  P889  1  0.711186  0.313124  0.613652  1
  P  P890  1  0.162210  0.645323  0.650715  1
  P  P891  1  0.616920  0.975650  0.689691  1
  P  P892  1  0.766837  0.333536  0.683709  1
  P  P893  1  0.211997  0.664608  0.719746  1
  P  P894  1  0.308132  1.001925  0.645734  1
  P  P895  1  0.291039  0.626527  0.623283  1
  P  P896  1  0.746806  0.957246  0.661696  1
  P  P897  1  0.202679  0.289376  0.702476  1
  P  P898  1  0.196677  0.461886  0.622596  1
  P  P899  1  0.647745  0.794750  0.659747  1
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  P  P901  1  0.972170  0.348973  0.669868  1
  P  P902  1  0.460092  0.661531  0.731864  1
  P  P903  1  0.499054  0.018818  0.630496  1
  P  P904  1  0.643054  0.309802  0.670453  1
  P  P905  1  0.089558  0.642267  0.707669  1
  P  P906  1  0.185837  0.978969  0.632615  1
  P  P907  1  0.101311  0.609413  0.639148  1
  P  P908  1  0.553554  0.940858  0.677115  1
  P  P909  1  0.009879  0.273002  0.717045  1
  P  P910  1  0.187541  0.437775  0.702509  1
  P  P911  1  0.273394  0.775419  0.629142  1
  P  P912  1  0.727326  0.107120  0.666427  1
  P  P913  1  0.661272  0.588219  0.669122  1
  P  P914  1  0.129605  0.920126  0.707412  1
  P  P915  1  0.202218  0.256417  0.633889  1
  P  P916  1  0.102351  0.518720  0.655168  1
  P  P917  1  0.540113  0.842056  0.701668  1
  P  P918  1  0.646083  0.188095  0.617017  1
  P  P919  1  0.446974  0.462085  0.622509  1
  P  P920  1  0.895151  0.794319  0.658830  1
  P  P921  1  0.367818  0.125569  0.696510  1
  P  P922  1  0.980017  0.586807  0.625388  1
  P  P923  1  0.432984  0.917746  0.664304  1
  P  P924  1  0.956786  0.252493  0.647333  1
  P  P925  1  0.030846  0.606804  0.696866  1
  P  P926  1  0.124465  0.942460  0.620376  1
  P  P927  1  0.574015  0.275349  0.660592  1
  P  P928  1  0.007418  0.327222  0.699450  1
  P  P929  1  0.103865  0.666688  0.620307  1
  P  P930  1  0.556734  0.997055  0.659692  1
  P  P931  1  0.349901  0.604772  0.653311  1
  P  P932  1  0.802319  0.935806  0.691418  1
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  P  P939  1  0.808402  1.001534  0.645068  1
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  P  P941  1  0.918755  0.832989  0.658595  1
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  P  P945  1  0.894791  0.188032  0.615936  1
  P  P946  1  0.695279  0.462290  0.622633  1
  P  P947  1  0.145959  0.793785  0.659340  1
  P  P948  1  0.615306  0.126182  0.696474  1
  P  P949  1  0.805798  0.312064  0.713624  1
  P  P950  1  0.912536  0.649605  0.636073  1
  P  P951  1  0.364213  0.980204  0.675324  1
  P  P952  1  0.209509  0.354477  0.650017  1
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  P  P956  1  0.602558  0.920659  0.706975  1
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  P  P960  1  0.833632  0.270721  0.675256  1
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  P  P965  1  0.771227  0.791515  0.710538  1
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  P  P968  1  0.310833  0.936241  0.691914  1
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  P  P973  1  0.312298  0.313554  0.714266  1
  P  P974  1  0.413792  0.649605  0.636098  1
  P  P975  1  0.866666  0.980129  0.675563  1
  P  P976  1  0.079633  0.331404  0.640173  1
  P  P977  1  0.533644  0.664391  0.677278  1
  P  P978  1  0.986146  0.994831  0.715500  1
  P  P979  1  0.935880  0.437654  0.702199  1
  P  P980  1  0.015343  0.775308  0.628277  1
  P  P981  1  0.482690  0.105783  0.667975  1
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  P  P1007  1  0.535413  0.814941  0.690017  1
  P  P1008  1  0.626159  0.149972  0.616020  1
