# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.92582055
_cell_length_b   42.21829297
_cell_length_c   54.92413328
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.85730420
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P336
_cell_volume   29969.0782786
_cell_formula_units_Z   336
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  0.603960  0.868370  0.372810  1
  P  P2  1  0.853318  0.882632  0.358852  1
  P  P3  1  0.953600  0.264825  0.330416  1
  P  P4  1  0.586306  0.429101  0.371782  1
  P  P5  1  0.086485  0.429406  0.371971  1
  P  P6  1  0.173139  0.884471  0.315424  1
  P  P7  1  0.340349  0.511235  0.296719  1
  P  P8  1  0.453425  0.263966  0.331421  1
  P  P9  1  0.589677  0.503743  0.355386  1
  P  P10  1  0.840031  0.503742  0.355475  1
  P  P11  1  0.212280  0.450788  0.321276  1
  P  P12  1  0.402824  0.988458  0.379141  1
  P  P13  1  0.614807  0.782089  0.295859  1
  P  P14  1  0.890953  0.066132  0.296306  1
  P  P15  1  0.129685  0.780454  0.296821  1
  P  P16  1  0.468603  0.563017  0.329825  1
  P  P17  1  0.712514  0.450749  0.321207  1
  P  P18  1  0.081143  0.323354  0.304574  1
  P  P19  1  0.923454  0.898665  0.301935  1
  P  P20  1  0.036976  0.936784  0.347111  1
  P  P21  1  0.558583  0.848455  0.271735  1
  P  P22  1  0.102663  0.868854  0.372450  1
  P  P23  1  0.830401  0.315528  0.364471  1
  P  P24  1  0.590413  0.510888  0.296512  1
  P  P25  1  0.703131  0.263960  0.331406  1
  P  P26  1  0.080767  0.315734  0.364222  1
  P  P27  1  0.343547  0.054132  0.353084  1
  P  P28  1  0.202962  0.264810  0.330402  1
  P  P29  1  0.355750  0.966325  0.278253  1
  P  P30  1  0.651194  1.002155  0.366162  1
  P  P31  1  0.336010  0.429215  0.371860  1
  P  P32  1  0.958823  0.375807  0.338367  1
  P  P33  1  0.830837  0.054616  0.352624  1
  P  P34  1  0.987768  0.830796  0.327256  1
  P  P35  1  0.090609  0.511496  0.297142  1
  P  P36  1  0.339615  0.503537  0.355328  1
  P  P37  1  0.581153  0.322802  0.304878  1
  P  P38  1  0.962515  0.450833  0.321353  1
  P  P39  1  0.857675  0.966392  0.278759  1
  P  P40  1  0.806737  0.832547  0.284836  1
  P  P41  1  0.458364  0.375947  0.338246  1
  P  P42  1  0.421509  0.899467  0.302167  1
  P  P43  1  0.577217  0.242941  0.380971  1
  P  P44  1  0.830614  0.323032  0.304960  1
  P  P45  1  0.538927  0.935395  0.347255  1
  P  P46  1  0.223158  0.017678  0.308978  1
  P  P47  1  0.675587  0.884215  0.315645  1
  P  P48  1  0.584844  0.396888  0.288684  1
  P  P49  1  0.418131  0.064443  0.296580  1
  P  P50  1  0.106817  0.952216  0.290694  1
  P  P51  1  0.488472  0.832385  0.327752  1
  P  P52  1  0.580968  0.316662  0.364258  1
  P  P53  1  0.054830  0.764725  0.352641  1
  P  P54  1  0.463792  0.555875  0.388850  1
  P  P55  1  0.835045  0.397086  0.288690  1
  P  P56  1  0.373164  0.766828  0.310982  1
  P  P57  1  0.058685  0.845862  0.272111  1
  P  P58  1  0.473521  1.000968  0.322283  1
  P  P59  1  0.738582  0.816255  0.340746  1
  P  P60  1  0.972785  1.004208  0.322055  1
  P  P61  1  0.714881  0.016462  0.308386  1
  P  P62  1  0.840724  0.511134  0.296748  1
  P  P63  1  0.717512  0.563007  0.329625  1
  P  P64  1  0.084737  0.397354  0.288674  1
  P  P65  1  0.285489  0.950531  0.334262  1
  P  P66  1  0.586557  0.067835  0.340097  1
  P  P67  1  0.553051  0.764354  0.352454  1
  P  P68  1  0.309999  0.832847  0.284693  1
  P  P69  1  0.352867  0.883092  0.359343  1
  P  P70  1  0.709143  0.375997  0.338275  1
  P  P71  1  0.238159  0.817329  0.341495  1
  P  P72  1  0.089811  0.503814  0.355653  1
  P  P73  1  0.787343  0.950798  0.334105  1
  P  P74  1  0.902760  0.989214  0.378979  1
  P  P75  1  0.331129  0.315515  0.364440  1
  P  P76  1  0.836806  0.429293  0.371925  1
  P  P77  1  0.208643  0.375775  0.338330  1
  P  P78  1  0.152667  1.003187  0.365240  1
  P  P79  1  0.334524  0.396996  0.288648  1
  P  P80  1  0.607933  0.950010  0.289710  1
  P  P81  1  0.331669  0.322973  0.304925  1
  P  P82  1  0.218798  0.562554  0.330657  1
  P  P83  1  0.967276  0.562564  0.330533  1
  P  P84  1  0.462333  0.450683  0.321120  1
  P  P85  1  0.963771  0.837382  0.485861  1
  P  P86  1  0.214134  0.850919  0.472149  1
  P  P87  1  0.327543  0.235351  0.440062  1
  P  P88  1  0.960138  0.400767  0.481815  1
  P  P89  1  0.459861  0.400954  0.481921  1
  P  P90  1  0.532936  0.852916  0.429164  1
  P  P91  1  0.713424  0.482216  0.405834  1
  P  P92  1  0.826549  0.234646  0.440549  1
  P  P93  1  0.963718  0.476297  0.465558  1
  P  P94  1  0.214797  0.475585  0.465107  1
  P  P95  1  0.586351  0.422405  0.431868  1
  P  P96  1  0.763229  0.958067  0.492367  1
  P  P97  1  0.978027  0.748274  0.408935  1
  P  P98  1  0.266701  0.039350  0.410008  1
  P  P99  1  0.490163  0.747749  0.409573  1
  P  P100  1  0.717798  0.556112  0.388646  1
  P  P101  1  0.086108  0.422699  0.431551  1
  P  P102  1  0.454327  0.294041  0.414416  1
  P  P103  1  0.284027  0.866716  0.415677  1
  P  P104  1  0.397649  0.905845  0.460810  1
  P  P105  1  0.918613  0.814919  0.384062  1
  P  P106  1  0.463163  0.837337  0.485654  1
  P  P107  1  0.204555  0.286701  0.474137  1
  P  P108  1  0.963670  0.483035  0.405821  1
  P  P109  1  0.076593  0.234527  0.441962  1
  P  P110  1  0.454795  0.286673  0.474055  1
  P  P111  1  0.702903  0.024492  0.467345  1
  P  P112  1  0.576593  0.234783  0.440216  1
  P  P113  1  0.718007  0.934854  0.390778  1
  P  P114  1  0.012405  0.971615  0.478928  1
  P  P115  1  0.709948  0.401116  0.481922  1
  P  P116  1  0.332394  0.346956  0.448194  1
  P  P117  1  0.191866  0.024973  0.466592  1
  P  P118  1  0.349541  0.798536  0.440573  1
  P  P119  1  0.464161  0.482163  0.405906  1
  P  P120  1  0.713711  0.476466  0.465348  1
  P  P121  1  0.955222  0.293491  0.414434  1
  P  P122  1  0.336033  0.422394  0.431650  1
  P  P123  1  0.217683  0.935253  0.390905  1
  P  P124  1  0.167361  0.800580  0.397881  1
  P  P125  1  0.832122  0.347332  0.448161  1
  P  P126  1  0.784024  0.867109  0.415813  1
  P  P127  1  0.944288  0.214092  0.490822  1
  P  P128  1  0.203724  0.293500  0.414507  1
  P  P129  1  0.898016  0.905364  0.460745  1
  P  P130  1  0.582905  0.987672  0.422628  1
  P  P131  1  0.034006  0.853118  0.429147  1
  P  P132  1  0.958525  0.368876  0.398006  1
  P  P133  1  0.769523  0.039977  0.410415  1
  P  P134  1  0.468066  0.921308  0.404329  1
  P  P135  1  0.850453  0.799606  0.441037  1
  P  P136  1  0.954244  0.287713  0.473947  1
  P  P137  1  0.416387  0.732681  0.465903  1
  P  P138  1  0.841718  0.535174  0.438603  1
  P  P139  1  0.208465  0.368813  0.397971  1
  P  P140  1  0.734377  0.734593  0.423888  1
  P  P141  1  0.418761  0.814221  0.384051  1
  P  P142  1  0.831631  0.972800  0.435439  1
  P  P143  1  0.098699  0.784693  0.454031  1
  P  P144  1  0.332189  0.973849  0.435883  1
  P  P145  1  0.082076  0.987348  0.421858  1
  P  P146  1  0.214710  0.483145  0.405693  1
  P  P147  1  0.091617  0.534980  0.439494  1
  P  P148  1  0.458370  0.369241  0.398084  1
  P  P149  1  0.648015  0.919330  0.447462  1
  P  P150  1  0.946731  0.037737  0.453138  1
  P  P151  1  0.914007  0.732054  0.465829  1
  P  P152  1  0.670147  0.800740  0.397610  1
  P  P153  1  0.714289  0.851303  0.472537  1
  P  P154  1  0.082666  0.347237  0.448068  1
  P  P155  1  0.599336  0.785307  0.454610  1
  P  P156  1  0.464729  0.476236  0.465349  1
  P  P157  1  0.148911  0.919538  0.447392  1
  P  P158  1  0.262722  0.958634  0.492381  1
  P  P159  1  0.705176  0.286358  0.474193  1
  P  P160  1  0.210454  0.400544  0.481841  1
  P  P161  1  0.582463  0.347077  0.448337  1
  P  P162  1  0.514241  0.972002  0.478679  1
  P  P163  1  0.708789  0.369276  0.398103  1
  P  P164  1  0.967841  0.921034  0.403932  1
  P  P165  1  0.705311  0.293952  0.414576  1
  P  P166  1  0.591301  0.535629  0.438215  1
  P  P167  1  0.340943  0.535051  0.439240  1
  P  P168  1  0.836601  0.422725  0.431777  1
  P  P169  1  0.324424  0.806305  0.598821  1
  P  P170  1  0.574365  0.819850  0.585270  1
  P  P171  1  0.701488  0.206108  0.550360  1
  P  P172  1  0.333642  0.371882  0.591497  1
  P  P173  1  0.833966  0.372345  0.591628  1
  P  P174  1  0.893520  0.821621  0.542207  1
  P  P175  1  0.088187  0.453445  0.515652  1
  P  P176  1  0.200713  0.205984  0.550996  1
  P  P177  1  0.337120  0.447206  0.575023  1
  P  P178  1  0.588104  0.447118  0.575183  1
  P  P179  1  0.959765  0.393921  0.541532  1
  P  P180  1  0.123818  0.926240  0.605537  1
  P  P181  1  0.339527  0.716666  0.522254  1
  P  P182  1  0.626044  0.008477  0.523696  1
  P  P183  1  0.850565  0.716185  0.523007  1
  P  P184  1  0.098142  0.527066  0.498777  1
  P  P185  1  0.459968  0.394081  0.541262  1
  P  P186  1  0.827634  0.265574  0.524492  1
  P  P187  1  0.644782  0.835314  0.528790  1
  P  P188  1  0.758404  0.874443  0.573922  1
  P  P189  1  0.279202  0.783091  0.497232  1
  P  P190  1  0.824748  0.805905  0.598694  1
  P  P191  1  0.578270  0.258995  0.583694  1
  P  P192  1  0.337254  0.454801  0.515406  1
  P  P193  1  0.451129  0.205530  0.551385  1
  P  P194  1  0.827720  0.258013  0.583906  1
  P  P195  1  0.064404  0.992884  0.580665  1
  P  P196  1  0.950814  0.206178  0.550105  1
  P  P197  1  0.078660  0.903776  0.503738  1
  P  P198  1  0.372284  0.940418  0.591989  1
  P  P199  1  0.083906  0.372283  0.591593  1
  P  P200  1  0.706398  0.318764  0.557949  1
  P  P201  1  0.552268  0.993409  0.580026  1
  P  P202  1  0.710242  0.767310  0.553717  1
  P  P203  1  0.837876  0.454457  0.515463  1
  P  P204  1  0.087209  0.447667  0.575165  1
  P  P205  1  0.328720  0.264692  0.524251  1
  P  P206  1  0.710037  0.394202  0.541406  1
  P  P207  1  0.579268  0.903821  0.503945  1
  P  P208  1  0.528190  0.769157  0.510921  1
  P  P209  1  0.205830  0.318434  0.557823  1
  P  P210  1  0.144415  0.835794  0.528854  1
  P  P211  1  0.324633  0.185046  0.600953  1
  P  P212  1  0.577702  0.264922  0.524250  1
  P  P213  1  0.258407  0.874050  0.573787  1
  P  P214  1  0.943732  0.956465  0.535569  1
  P  P215  1  0.394416  0.821829  0.542137  1
  P  P216  1  0.332483  0.340042  0.507677  1
  P  P217  1  0.128424  0.009105  0.523771  1
  P  P218  1  0.828297  0.890239  0.517450  1
  P  P219  1  0.210800  0.768358  0.554160  1
  P  P220  1  0.329007  0.258942  0.583765  1
  P  P221  1  0.775730  0.701808  0.579592  1
  P  P222  1  0.215882  0.506513  0.549051  1
  P  P223  1  0.582570  0.340204  0.507678  1
  P  P224  1  0.095699  0.703421  0.536461  1
  P  P225  1  0.779709  0.782524  0.497219  1
  P  P226  1  0.191978  0.941552  0.548562  1
  P  P227  1  0.459526  0.753486  0.566972  1
  P  P228  1  0.692889  0.942622  0.549026  1
  P  P229  1  0.443095  0.955851  0.534989  1
  P  P230  1  0.587636  0.454485  0.515544  1
  P  P231  1  0.465838  0.506375  0.549383  1
  P  P232  1  0.831977  0.340614  0.507758  1
  P  P233  1  0.008425  0.888040  0.560453  1
  P  P234  1  0.308054  0.006565  0.565711  1
  P  P235  1  0.272908  0.701181  0.579184  1
  P  P236  1  0.030025  0.769543  0.510672  1
  P  P237  1  0.074590  0.820124  0.585668  1
  P  P238  1  0.456080  0.318753  0.557731  1
  P  P239  1  0.960355  0.753810  0.567741  1
  P  P240  1  0.838706  0.447659  0.575092  1
  P  P241  1  0.509495  0.888242  0.560435  1
  P  P242  1  0.623670  0.926937  0.605548  1
  P  P243  1  0.078761  0.258123  0.583778  1
  P  P244  1  0.584060  0.371917  0.591515  1
  P  P245  1  0.956323  0.318459  0.558049  1
  P  P246  1  0.875070  0.940578  0.591718  1
  P  P247  1  0.082293  0.340391  0.507784  1
  P  P248  1  0.328142  0.889855  0.517063  1
  P  P249  1  0.078713  0.264861  0.524041  1
  P  P250  1  0.965838  0.506631  0.547637  1
  P  P251  1  0.714888  0.505808  0.549537  1
  P  P252  1  0.210309  0.393827  0.541438  1
  P  P253  1  0.686680  0.774834  0.711347  1
  P  P254  1  0.935614  0.788942  0.698905  1
  P  P255  1  0.075155  0.178594  0.659067  1
  P  P256  1  0.707907  0.344162  0.700952  1
  P  P257  1  0.207385  0.344072  0.700909  1
  P  P258  1  0.255088  0.790361  0.655494  1
  P  P259  1  0.461463  0.424496  0.625341  1
  P  P260  1  0.578639  0.185283  0.600750  1
  P  P261  1  0.710762  0.418185  0.684674  1
  P  P262  1  0.961288  0.417805  0.685026  1
  P  P263  1  0.333288  0.365161  0.651325  1
  P  P264  1  0.483848  0.892703  0.717864  1
  P  P265  1  0.698884  0.687027  0.636515  1
  P  P266  1  0.987601  0.976433  0.636959  1
  P  P267  1  0.211594  0.686542  0.636975  1
  P  P268  1  0.465213  0.498217  0.608628  1
  P  P269  1  0.833788  0.365383  0.651269  1
  P  P270  1  0.202400  0.237416  0.634124  1
  P  P271  1  0.005455  0.804374  0.642488  1
  P  P272  1  0.118977  0.842493  0.687664  1
  P  P273  1  0.639607  0.752701  0.610458  1
  P  P274  1  0.184756  0.774767  0.710841  1
  P  P275  1  0.951822  0.229663  0.692458  1
  P  P276  1  0.711301  0.425643  0.625159  1
  P  P277  1  0.823633  0.178604  0.658942  1
  P  P278  1  0.201707  0.230024  0.692851  1
  P  P279  1  0.427624  0.959069  0.693740  1
  P  P280  1  0.324919  0.178151  0.659974  1
  P  P281  1  0.438470  0.872788  0.616789  1
  P  P282  1  0.732432  0.908312  0.704906  1
  P  P283  1  0.457586  0.344270  0.700915  1
  P  P284  1  0.079915  0.290325  0.668246  1
  P  P285  1  0.912746  0.960704  0.692778  1
  P  P286  1  0.069646  0.736950  0.667544  1
  P  P287  1  0.212030  0.425630  0.625128  1
  P  P288  1  0.461278  0.418356  0.684722  1
  P  P289  1  0.702816  0.237621  0.634271  1
  P  P290  1  0.083608  0.365351  0.651232  1
  P  P291  1  0.939768  0.872305  0.617150  1
  P  P292  1  0.889764  0.737971  0.624359  1
  P  P293  1  0.580098  0.290475  0.668480  1
  P  P294  1  0.503504  0.805764  0.642345  1
  P  P295  1  0.573828  0.178141  0.659774  1
  P  P296  1  0.952620  0.237344  0.633946  1
  P  P297  1  0.620922  0.841691  0.687432  1
  P  P298  1  0.303849  0.924903  0.648854  1
  P  P299  1  0.756942  0.790627  0.655337  1
  P  P300  1  0.706421  0.311943  0.617739  1
  P  P301  1  0.489380  0.976804  0.637145  1
  P  P302  1  0.189113  0.858526  0.630748  1
  P  P303  1  0.568910  0.740190  0.667316  1
  P  P304  1  0.702082  0.229923  0.692880  1
  P  P305  1  0.151478  0.675026  0.693294  1
  P  P306  1  0.589006  0.477192  0.658178  1
  P  P307  1  0.955946  0.311752  0.617628  1
  P  P308  1  0.455874  0.673324  0.649502  1
  P  P309  1  0.139671  0.751944  0.610621  1
  P  P310  1  0.553959  0.908774  0.661848  1
  P  P311  1  0.819273  0.723481  0.680621  1
  P  P312  1  0.054663  0.910362  0.662344  1
  P  P313  1  0.804272  0.923829  0.648104  1
  P  P314  1  0.961663  0.425425  0.625378  1
  P  P315  1  0.839468  0.476348  0.659197  1
  P  P316  1  0.205625  0.311866  0.617674  1
  P  P317  1  0.366844  0.856944  0.673955  1
  P  P318  1  0.669267  0.974331  0.678617  1
  P  P319  1  0.624300  0.676716  0.693020  1
  P  P320  1  0.391237  0.739003  0.623437  1
  P  P321  1  0.434498  0.791148  0.699889  1
  P  P322  1  0.830151  0.290371  0.668323  1
  P  P323  1  0.327550  0.724696  0.681213  1
  P  P324  1  0.211817  0.418126  0.684640  1
  P  P325  1  0.869292  0.856687  0.674175  1
  P  P326  1  0.983746  0.895296  0.717488  1
  P  P327  1  0.452018  0.230270  0.693088  1
  P  P328  1  0.957694  0.343805  0.700925  1
  P  P329  1  0.329917  0.290410  0.668392  1
  P  P330  1  0.235694  0.908612  0.704763  1
  P  P331  1  0.456125  0.312058  0.617818  1
  P  P332  1  0.689564  0.858066  0.630256  1
  P  P333  1  0.452754  0.237416  0.634213  1
  P  P334  1  0.339300  0.477198  0.658193  1
  P  P335  1  0.088831  0.476334  0.659183  1
  P  P336  1  0.584066  0.365211  0.651354  1
