# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.72542546
_cell_length_b   15.58506683
_cell_length_c   41.82811220
_cell_angle_alpha   90.00000000
_cell_angle_beta   96.34273726
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P335
_cell_volume   13428.0771146
_cell_formula_units_Z   335
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  0.277112  0.197260  0.967134  1
  P  P2  1  0.277338  0.699885  0.966634  1
  P  P3  1  0.777315  0.199255  0.967337  1
  P  P4  1  0.777387  0.698642  0.967494  1
  P  P5  1  0.129551  0.282743  0.975511  1
  P  P6  1  0.129427  0.783841  0.975083  1
  P  P7  1  0.629061  0.282674  0.975636  1
  P  P8  1  0.630039  0.782622  0.975904  1
  P  P9  1  0.017531  0.049880  0.355010  1
  P  P10  1  0.017531  0.549880  0.355010  1
  P  P11  1  0.517531  0.049880  0.355010  1
  P  P12  1  0.517531  0.549880  0.355010  1
  P  P13  1  0.270370  0.408151  0.528547  1
  P  P14  1  0.270370  0.908151  0.528547  1
  P  P15  1  0.770370  0.408151  0.528547  1
  P  P16  1  0.770370  0.908151  0.528547  1
  P  P17  1  0.020601  0.158330  0.529062  1
  P  P18  1  0.020601  0.658330  0.529062  1
  P  P19  1  0.520601  0.158330  0.529062  1
  P  P20  1  0.520601  0.658330  0.529062  1
  P  P21  1  0.402078  0.321921  0.966923  1
  P  P22  1  0.402710  0.822224  0.967778  1
  P  P23  1  0.902469  0.323503  0.967188  1
  P  P24  1  0.902328  0.823000  0.967155  1
  P  P25  1  0.263711  0.041856  0.589248  1
  P  P26  1  0.263711  0.541856  0.589248  1
  P  P27  1  0.763711  0.041856  0.589248  1
  P  P28  1  0.763711  0.541856  0.589248  1
  P  P29  1  0.268542  0.301123  0.354465  1
  P  P30  1  0.268542  0.801123  0.354465  1
  P  P31  1  0.768542  0.301123  0.354465  1
  P  P32  1  0.768542  0.801123  0.354465  1
  P  P33  1  0.241278  0.331285  0.598629  1
  P  P34  1  0.241278  0.831285  0.598629  1
  P  P35  1  0.741278  0.331285  0.598629  1
  P  P36  1  0.741278  0.831285  0.598629  1
  P  P37  1  0.115815  0.457245  0.598648  1
  P  P38  1  0.115815  0.957245  0.598648  1
  P  P39  1  0.615815  0.457245  0.598648  1
  P  P40  1  0.615815  0.957245  0.598648  1
  P  P41  1  0.373356  0.073615  0.537485  1
  P  P42  1  0.373356  0.573615  0.537485  1
  P  P43  1  0.873356  0.073615  0.537485  1
  P  P44  1  0.873356  0.573615  0.537485  1
  P  P45  1  0.387942  0.058559  0.090461  1
  P  P46  1  0.388011  0.558527  0.090436  1
  P  P47  1  0.888275  0.058651  0.090466  1
  P  P48  1  0.888169  0.558593  0.090302  1
  P  P49  1  0.144669  0.546048  0.854644  1
  P  P50  1  0.645079  0.044481  0.854617  1
  P  P51  1  0.646329  0.543350  0.854770  1
  P  P52  1  0.507220  0.049966  0.149879  1
  P  P53  1  0.507854  0.549232  0.149867  1
  P  P54  1  1.008054  0.049531  0.149715  1
  P  P55  1  1.007474  0.549948  0.149628  1
  P  P56  1  0.391108  0.300666  0.854192  1
  P  P57  1  0.392948  0.799898  0.854509  1
  P  P58  1  0.891428  0.301252  0.854412  1
  P  P59  1  0.891392  0.801571  0.854318  1
  P  P60  1  0.233610  0.465701  0.657762  1
  P  P61  1  0.233610  0.965701  0.657762  1
  P  P62  1  0.733610  0.465701  0.657762  1
  P  P63  1  0.733610  0.965701  0.657762  1
  P  P64  1  0.122730  0.323026  0.537616  1
  P  P65  1  0.122730  0.823026  0.537616  1
  P  P66  1  0.622730  0.323026  0.537616  1
  P  P67  1  0.622730  0.823026  0.537616  1
  P  P68  1  0.409432  0.016831  0.406125  1
  P  P69  1  0.409432  0.516831  0.406125  1
  P  P70  1  0.909432  0.016831  0.406125  1
  P  P71  1  0.909432  0.516831  0.406125  1
  P  P72  1  0.503977  0.157673  0.975698  1
  P  P73  1  0.504960  0.658028  0.975944  1
  P  P74  1  1.004376  0.158602  0.975914  1
  P  P75  1  1.004527  0.658598  0.975612  1
  P  P76  1  0.020591  0.315987  0.028994  1
  P  P77  1  0.020541  0.815808  0.028932  1
  P  P78  1  0.520238  0.315338  0.028981  1
  P  P79  1  0.520765  0.815166  0.029553  1
  P  P80  1  0.136909  0.414751  0.914037  1
  P  P81  1  0.136238  0.917761  0.913641  1
  P  P82  1  0.636805  0.415183  0.914612  1
  P  P83  1  0.636231  0.915226  0.914214  1
  P  P84  1  0.027630  0.448512  0.967018  1
  P  P85  1  0.026963  0.948240  0.966996  1
  P  P86  1  0.526492  0.447822  0.967012  1
  P  P87  1  0.528790  0.947512  0.968182  1
  P  P88  1  0.137008  0.058763  0.414396  1
  P  P89  1  0.137008  0.558763  0.414396  1
  P  P90  1  0.637008  0.058763  0.414396  1
  P  P91  1  0.637008  0.558763  0.414396  1
  P  P92  1  0.138622  0.165439  0.590893  1
  P  P93  1  0.138622  0.665439  0.590893  1
  P  P94  1  0.638622  0.165439  0.590893  1
  P  P95  1  0.638622  0.665439  0.590893  1
  P  P96  1  0.145994  0.429901  0.354630  1
  P  P97  1  0.145994  0.929901  0.354630  1
  P  P98  1  0.645994  0.429901  0.354630  1
  P  P99  1  0.645994  0.929901  0.354630  1
  P  P100  1  1.011424  0.183348  0.414170  1
  P  P101  1  1.011424  0.683348  0.414170  1
  P  P102  1  0.511424  0.183348  0.414170  1
  P  P103  1  0.511424  0.683348  0.414170  1
  P  P104  1  0.379478  0.429357  0.150137  1
  P  P105  1  0.378721  0.929747  0.150200  1
  P  P106  1  0.879033  0.429844  0.150074  1
  P  P107  1  0.879579  0.929637  0.150274  1
  P  P108  1  0.391626  0.172848  0.354331  1
  P  P109  1  0.391626  0.672848  0.354331  1
  P  P110  1  0.891626  0.172848  0.354331  1
  P  P111  1  0.891626  0.672848  0.354331  1
  P  P112  1  0.247726  0.274655  0.037346  1
  P  P113  1  0.247731  0.775637  0.036785  1
  P  P114  1  0.747504  0.274936  0.037440  1
  P  P115  1  0.747976  0.774810  0.037709  1
  P  P116  1  0.241190  0.142520  0.098744  1
  P  P117  1  0.240946  0.643286  0.098004  1
  P  P118  1  0.741051  0.142574  0.098602  1
  P  P119  1  0.741429  0.642432  0.098917  1
  P  P120  1  0.395617  0.283047  0.529133  1
  P  P121  1  0.395617  0.783047  0.529133  1
  P  P122  1  0.895617  0.283047  0.529133  1
  P  P123  1  0.895617  0.783047  0.529133  1
  P  P124  1  0.027295  0.025899  0.467127  1
  P  P125  1  0.027295  0.525899  0.467127  1
  P  P126  1  0.527295  0.025899  0.467127  1
  P  P127  1  0.527295  0.525899  0.467127  1
  P  P128  1  0.133610  0.172805  0.150304  1
  P  P129  1  0.133416  0.672818  0.150265  1
  P  P130  1  0.633458  0.172655  0.150541  1
  P  P131  1  0.633731  0.672371  0.150648  1
  P  P132  1  1.011158  0.290866  0.914168  1
  P  P133  1  1.011540  0.791467  0.913969  1
  P  P134  1  0.510601  0.290715  0.914191  1
  P  P135  1  0.512482  0.789728  0.914297  1
  P  P136  1  0.388238  0.415313  0.590378  1
  P  P137  1  0.388238  0.915313  0.590378  1
  P  P138  1  0.888238  0.415313  0.590378  1
  P  P139  1  0.888238  0.915313  0.590378  1
  P  P140  1  0.366152  0.205974  0.599239  1
  P  P141  1  0.366152  0.705974  0.599239  1
  P  P142  1  0.866152  0.205974  0.599239  1
  P  P143  1  0.866152  0.705974  0.599239  1
  P  P144  1  0.159094  0.268102  0.405535  1
  P  P145  1  0.159094  0.768102  0.405535  1
  P  P146  1  0.659094  0.268102  0.405535  1
  P  P147  1  0.659094  0.768102  0.405535  1
  P  P148  1  0.497952  0.448177  0.537646  1
  P  P149  1  0.497952  0.948177  0.537646  1
  P  P150  1  0.997952  0.448177  0.537646  1
  P  P151  1  0.997952  0.948177  0.537646  1
  P  P152  1  0.497752  0.025681  0.037981  1
  P  P153  1  0.497872  0.525737  0.037677  1
  P  P154  1  0.997720  0.025720  0.037595  1
  P  P155  1  0.997944  0.525821  0.037575  1
  P  P156  1  0.033373  0.081947  0.906391  1
  P  P157  1  0.035694  0.582556  0.905811  1
  P  P158  1  0.536107  0.082393  0.906295  1
  P  P159  1  0.534695  0.580573  0.905759  1
  P  P160  1  0.277394  0.275129  0.467322  1
  P  P161  1  0.277394  0.775129  0.467322  1
  P  P162  1  0.777394  0.275129  0.467322  1
  P  P163  1  0.777394  0.775129  0.467322  1
  P  P164  1  0.254616  0.407615  0.976277  1
  P  P165  1  0.254775  0.908639  0.975074  1
  P  P166  1  0.754684  0.408011  0.976268  1
  P  P167  1  0.754606  0.908005  0.976311  1
  P  P168  1  0.291636  0.008375  0.347011  1
  P  P169  1  0.291636  0.508375  0.347011  1
  P  P170  1  0.791636  0.008375  0.347011  1
  P  P171  1  0.791636  0.508375  0.347011  1
  P  P172  1  0.035177  0.392673  0.405766  1
  P  P173  1  0.035177  0.892673  0.405766  1
  P  P174  1  0.535177  0.392673  0.405766  1
  P  P175  1  0.535177  0.892673  0.405766  1
  P  P176  1  0.270039  0.065211  0.028649  1
  P  P177  1  0.270281  0.566224  0.028129  1
  P  P178  1  0.770482  0.065877  0.028658  1
  P  P179  1  0.770175  0.565689  0.028640  1
  P  P180  1  0.365798  0.268108  0.099214  1
  P  P181  1  0.365980  0.768016  0.099078  1
  P  P182  1  0.866002  0.267956  0.099221  1
  P  P183  1  0.866241  0.767797  0.099398  1
  P  P184  1  0.151858  0.073056  0.967255  1
  P  P185  1  0.152069  0.574227  0.966913  1
  P  P186  1  0.652256  0.073647  0.967527  1
  P  P187  1  0.651611  0.573196  0.967401  1
  P  P188  1  0.129630  0.191029  0.475641  1
  P  P189  1  0.129630  0.691029  0.475641  1
  P  P190  1  0.629630  0.191029  0.475641  1
  P  P191  1  0.629630  0.691029  0.475641  1
  P  P192  1  0.256016  0.302338  0.150108  1
  P  P193  1  0.256858  0.799865  0.150318  1
  P  P194  1  0.756696  0.300535  0.150320  1
  P  P195  1  0.756795  0.801163  0.150522  1
  P  P196  1  0.395266  0.190914  0.029271  1
  P  P197  1  0.395454  0.690441  0.029158  1
  P  P198  1  0.895491  0.191140  0.029149  1
  P  P199  1  0.895602  0.690992  0.029171  1
  P  P200  1  0.261508  0.041847  0.914003  1
  P  P201  1  0.261229  0.541001  0.915534  1
  P  P202  1  0.760843  0.041672  0.915562  1
  P  P203  1  0.761644  0.541854  0.915609  1
  P  P204  1  0.261536  0.432220  0.415526  1
  P  P205  1  0.261536  0.932220  0.415526  1
  P  P206  1  0.761536  0.432220  0.415526  1
  P  P207  1  0.761536  0.932220  0.415526  1
  P  P208  1  0.016793  0.425090  0.855015  1
  P  P209  1  0.015982  0.925971  0.855629  1
  P  P210  1  0.517837  0.423194  0.855090  1
  P  P211  1  0.513812  0.928406  0.854911  1
  P  P212  1  0.256704  0.172953  0.650309  1
  P  P213  1  0.256704  0.672953  0.650309  1
  P  P214  1  0.756704  0.172953  0.650309  1
  P  P215  1  0.756704  0.672953  0.650309  1
  P  P216  1  0.504645  0.315746  0.475712  1
  P  P217  1  0.504645  0.815746  0.475712  1
  P  P218  1  1.004645  0.315746  0.475712  1
  P  P219  1  1.004645  0.815746  0.475712  1
  P  P220  1  0.286396  0.459103  0.846892  1
  P  P221  1  0.317450  0.983570  0.847341  1
  P  P222  1  0.792922  0.467201  0.847020  1
  P  P223  1  0.790035  0.964437  0.847012  1
  P  P224  1  0.386026  0.163256  0.912842  1
  P  P225  1  0.386849  0.666155  0.914382  1
  P  P226  1  0.885985  0.165833  0.914081  1
  P  P227  1  0.886593  0.665708  0.913825  1
  P  P228  1  0.263611  0.432415  0.088973  1
  P  P229  1  0.263501  0.931651  0.089275  1
  P  P230  1  0.763478  0.431955  0.089262  1
  P  P231  1  0.763906  0.932023  0.089488  1
  P  P232  1  0.158156  0.204573  0.905767  1
  P  P233  1  0.160275  0.708273  0.905166  1
  P  P234  1  0.659355  0.206608  0.905550  1
  P  P235  1  0.659034  0.705097  0.905734  1
  P  P236  1  0.513600  0.183230  0.090724  1
  P  P237  1  0.513723  0.682906  0.090832  1
  P  P238  1  0.013723  0.183322  0.090520  1
  P  P239  1  0.013877  0.683190  0.090441  1
  P  P240  1  0.115595  0.016727  0.098388  1
  P  P241  1  0.115930  0.516766  0.098550  1
  P  P242  1  0.615726  0.016545  0.098952  1
  P  P243  1  0.615764  0.516540  0.098708  1
  P  P244  1  0.513822  0.290728  0.590604  1
  P  P245  1  0.513822  0.790728  0.590604  1
  P  P246  1  0.013822  0.290728  0.590604  1
  P  P247  1  0.013822  0.790728  0.590604  1
  P  P248  1  0.133620  0.301228  0.650443  1
  P  P249  1  0.133620  0.801228  0.650443  1
  P  P250  1  0.633620  0.301228  0.650443  1
  P  P251  1  0.633620  0.801228  0.650443  1
  P  P252  1  0.380162  0.440467  0.476133  1
  P  P253  1  0.380162  0.940467  0.476133  1
  P  P254  1  0.880162  0.440467  0.476133  1
  P  P255  1  0.880162  0.940467  0.476133  1
  P  P256  1  0.373222  0.400439  0.037331  1
  P  P257  1  0.373104  0.900388  0.037500  1
  P  P258  1  0.873174  0.400344  0.037520  1
  P  P259  1  0.873201  0.900282  0.037535  1
  P  P260  1  0.232359  0.006807  0.157674  1
  P  P261  1  0.234995  0.510441  0.157468  1
  P  P262  1  0.734151  0.008779  0.157913  1
  P  P263  1  0.733158  0.507412  0.157888  1
  P  P264  1  0.265453  0.177688  0.854208  1
  P  P265  1  0.270679  0.668635  0.854765  1
  P  P266  1  0.768522  0.172202  0.854543  1
  P  P267  1  0.768131  0.673583  0.854469  1
  P  P268  1  0.283665  0.329605  0.906778  1
  P  P269  1  0.284961  0.834197  0.904424  1
  P  P270  1  0.783961  0.331933  0.906005  1
  P  P271  1  0.783383  0.830922  0.906331  1
  P  P272  1  0.379581  0.033994  0.976444  1
  P  P273  1  0.379998  0.533243  0.975949  1
  P  P274  1  0.879858  0.033607  0.976159  1
  P  P275  1  0.880136  0.533677  0.976213  1
  P  P276  1  0.151891  0.400461  0.467289  1
  P  P277  1  0.151891  0.900461  0.467289  1
  P  P278  1  0.651891  0.400461  0.467289  1
  P  P279  1  0.651891  0.900461  0.467289  1
  P  P280  1  0.408064  0.457392  0.905531  1
  P  P281  1  0.413306  0.955108  0.908895  1
  P  P282  1  0.909764  0.457770  0.906269  1
  P  P283  1  0.908284  0.957296  0.906144  1
  P  P284  1  0.490069  0.081403  0.599007  1
  P  P285  1  0.490069  0.581403  0.599007  1
  P  P286  1  0.990069  0.081403  0.599007  1
  P  P287  1  0.990069  0.581403  0.599007  1
  P  P288  1  0.122621  0.150808  0.037531  1
  P  P289  1  0.122589  0.651320  0.037243  1
  P  P290  1  0.622370  0.150658  0.037675  1
  P  P291  1  0.622889  0.650754  0.037876  1
  P  P292  1  0.138517  0.308528  0.090636  1
  P  P293  1  0.138576  0.808602  0.090744  1
  P  P294  1  0.638405  0.308363  0.090913  1
  P  P295  1  0.638699  0.808271  0.091232  1
  P  P296  1  0.386625  0.308637  0.413881  1
  P  P297  1  0.386625  0.808637  0.413881  1
  P  P298  1  0.886625  0.308637  0.413881  1
  P  P299  1  0.886625  0.808637  0.413881  1
  P  P300  1  0.145084  0.033609  0.528641  1
  P  P301  1  0.145084  0.533609  0.528641  1
  P  P302  1  0.645084  0.033609  0.528641  1
  P  P303  1  0.645084  0.533609  0.528641  1
  P  P304  1  0.402516  0.151050  0.467158  1
  P  P305  1  0.402516  0.651050  0.467158  1
  P  P306  1  0.902516  0.151050  0.467158  1
  P  P307  1  0.902516  0.651050  0.467158  1
  P  P308  1  0.489884  0.392482  0.098899  1
  P  P309  1  0.489897  0.892470  0.099275  1
  P  P310  1  0.990032  0.392600  0.098970  1
  P  P311  1  0.990007  0.892388  0.098955  1
  P  P312  1  0.254876  0.065925  0.476227  1
  P  P313  1  0.254876  0.565925  0.476227  1
  P  P314  1  0.754876  0.065925  0.476227  1
  P  P315  1  0.754876  0.565925  0.476227  1
  P  P316  1  0.145106  0.440731  0.028454  1
  P  P317  1  0.145052  0.940103  0.028406  1
  P  P318  1  0.644693  0.440110  0.028607  1
  P  P319  1  0.645535  0.940169  0.029140  1
  P  P320  1  0.283969  0.142791  0.406145  1
  P  P321  1  0.283969  0.642791  0.406145  1
  P  P322  1  0.783969  0.142791  0.406145  1
  P  P323  1  0.783969  0.642791  0.406145  1
  P  P324  1  0.379253  0.044175  0.650144  1
  P  P325  1  0.379253  0.544175  0.650144  1
  P  P326  1  0.879253  0.044175  0.650144  1
  P  P327  1  0.879253  0.544175  0.650144  1
  P  P328  1  0.507715  0.424196  0.649764  1
  P  P329  1  0.507715  0.924196  0.649764  1
  P  P330  1  1.007715  0.424196  0.649764  1
  P  P331  1  1.007715  0.924196  0.649764  1
  P  P332  1  0.247852  0.198947  0.537452  1
  P  P333  1  0.247852  0.698947  0.537452  1
  P  P334  1  0.747852  0.198947  0.537452  1
  P  P335  1  0.747852  0.698947  0.537452  1
