# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   51.50546058
_cell_length_b   51.91362146
_cell_length_c   52.34346052
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.37936160
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P648
_cell_volume   139949.564931
_cell_formula_units_Z   648
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  0.344397  0.752125  0.424964  1
  P  P2  1  0.677730  0.418792  0.424964  1
  P  P3  1  0.713240  0.784646  0.329726  1
  P  P4  1  0.011063  0.085458  0.424964  1
  P  P5  1  0.046573  0.451313  0.329726  1
  P  P6  1  0.028818  0.768386  0.377345  1
  P  P7  1  0.379906  0.117980  0.329726  1
  P  P8  1  0.362151  0.435052  0.377345  1
  P  P9  1  0.695485  0.101719  0.377345  1
  P  P10  1  0.357645  0.642741  0.386423  1
  P  P11  1  0.690978  0.309408  0.386423  1
  P  P12  1  0.726224  0.674507  0.291348  1
  P  P13  1  0.024312  0.976074  0.386423  1
  P  P14  1  0.059557  0.341174  0.291348  1
  P  P15  1  0.042066  0.659002  0.338804  1
  P  P16  1  0.392890  0.007840  0.291348  1
  P  P17  1  0.375400  0.325668  0.338804  1
  P  P18  1  0.708733  0.992335  0.338804  1
  P  P19  1  0.338233  0.804918  0.396230  1
  P  P20  1  0.671566  0.471585  0.396230  1
  P  P21  1  0.707076  0.837440  0.300992  1
  P  P22  1  0.004900  0.138252  0.396230  1
  P  P23  1  0.040409  0.504106  0.300992  1
  P  P24  1  0.022654  0.821179  0.348611  1
  P  P25  1  0.373742  0.170773  0.300992  1
  P  P26  1  0.355988  0.487846  0.348611  1
  P  P27  1  0.689321  0.154512  0.348611  1
  P  P28  1  0.363809  0.589948  0.415158  1
  P  P29  1  0.697142  0.256614  0.415158  1
  P  P30  1  0.732218  0.622961  0.319466  1
  P  P31  1  0.030475  0.923281  0.415158  1
  P  P32  1  0.065551  0.289628  0.319466  1
  P  P33  1  0.048230  0.606208  0.367538  1
  P  P34  1  0.398885  0.956294  0.319466  1
  P  P35  1  0.381563  0.272875  0.367538  1
  P  P36  1  0.714897  0.939542  0.367538  1
  P  P37  1  0.388748  0.793029  0.427853  1
  P  P38  1  0.722082  0.459696  0.427853  1
  P  P39  1  0.757591  0.825551  0.332614  1
  P  P40  1  0.055415  0.126363  0.427853  1
  P  P41  1  0.090925  0.492217  0.332614  1
  P  P42  1  0.073170  0.809290  0.380234  1
  P  P43  1  0.424258  0.158884  0.332614  1
  P  P44  1  0.406503  0.475957  0.380234  1
  P  P45  1  0.739837  0.142623  0.380234  1
  P  P46  1  0.313293  0.601836  0.383535  1
  P  P47  1  0.646627  0.268503  0.383535  1
  P  P48  1  0.682896  0.634552  0.288531  1
  P  P49  1  0.979960  0.935170  0.383535  1
  P  P50  1  0.016229  0.301219  0.288531  1
  P  P51  1  0.997715  0.618097  0.335916  1
  P  P52  1  0.349563  0.967886  0.288531  1
  P  P53  1  0.331048  0.284764  0.335916  1
  P  P54  1  0.664381  0.951430  0.335916  1
  P  P55  1  0.389198  0.851896  0.313223  1
  P  P56  1  0.722532  0.518563  0.313223  1
  P  P57  1  0.704715  0.835704  0.360897  1
  P  P58  1  0.055865  0.185230  0.313223  1
  P  P59  1  0.038048  0.502371  0.360897  1
  P  P60  1  0.020293  0.819444  0.408516  1
  P  P61  1  0.371381  0.169038  0.360897  1
  P  P62  1  0.353627  0.486110  0.408516  1
  P  P63  1  0.686960  0.152777  0.408516  1
  P  P64  1  0.366170  0.591683  0.355252  1
  P  P65  1  0.699503  0.258349  0.355252  1
  P  P66  1  0.681748  0.575422  0.402871  1
  P  P67  1  0.032837  0.925016  0.355252  1
  P  P68  1  0.015082  0.242089  0.402871  1
  P  P69  1  0.050591  0.607943  0.307633  1
  P  P70  1  0.348415  0.908755  0.402871  1
  P  P71  1  0.383925  0.274610  0.307633  1
  P  P72  1  0.717258  0.941277  0.307633  1
  P  P73  1  0.479186  0.720879  0.392995  1
  P  P74  1  0.812520  0.387546  0.392995  1
  P  P75  1  0.847978  0.753457  0.297696  1
  P  P76  1  0.145853  0.054213  0.392995  1
  P  P77  1  0.181311  0.420124  0.297696  1
  P  P78  1  0.163164  0.737543  0.344852  1
  P  P79  1  0.514645  0.086790  0.297696  1
  P  P80  1  0.496497  0.404210  0.344852  1
  P  P81  1  0.829831  0.070876  0.344852  1
  P  P82  1  0.222855  0.673986  0.418393  1
  P  P83  1  0.556189  0.340653  0.418393  1
  P  P84  1  0.591698  0.706508  0.323155  1
  P  P85  1  0.889522  0.007320  0.418393  1
  P  P86  1  0.925032  0.373174  0.323155  1
  P  P87  1  0.907277  0.690247  0.370774  1
  P  P88  1  0.258365  0.039841  0.323155  1
  P  P89  1  0.240610  0.356914  0.370774  1
  P  P90  1  0.573943  0.023580  0.370774  1
  P  P91  1  0.429871  0.725153  0.357939  1
  P  P92  1  0.763205  0.391820  0.357939  1
  P  P93  1  0.745450  0.708893  0.405558  1
  P  P94  1  0.096538  0.058487  0.357939  1
  P  P95  1  0.078783  0.375559  0.405558  1
  P  P96  1  0.115019  0.741694  0.310569  1
  P  P97  1  0.412117  0.042226  0.405558  1
  P  P98  1  0.448352  0.408361  0.310569  1
  P  P99  1  0.781685  0.075028  0.310569  1
  P  P100  1  0.324675  0.718238  0.310745  1
  P  P101  1  0.658008  0.384904  0.310745  1
  P  P102  1  0.641013  0.702234  0.358210  1
  P  P103  1  0.991342  0.051571  0.310745  1
  P  P104  1  0.974346  0.368900  0.358210  1
  P  P105  1  0.956592  0.685973  0.405829  1
  P  P106  1  0.307680  0.035567  0.358210  1
  P  P107  1  0.289925  0.352640  0.405829  1
  P  P108  1  0.623258  0.019306  0.405829  1
  P  P109  1  0.470497  0.769795  0.358652  1
  P  P110  1  0.803830  0.436462  0.358652  1
  P  P111  1  0.786075  0.753534  0.406272  1
  P  P112  1  0.137163  0.103128  0.358652  1
  P  P113  1  0.119408  0.420201  0.406272  1
  P  P114  1  0.154709  0.785297  0.311257  1
  P  P115  1  0.452742  0.086868  0.406272  1
  P  P116  1  0.488043  0.451963  0.311257  1
  P  P117  1  0.821376  0.118630  0.311257  1
  P  P118  1  0.284986  0.674634  0.310038  1
  P  P119  1  0.618320  0.341300  0.310038  1
  P  P120  1  0.600388  0.657592  0.357497  1
  P  P121  1  0.951653  0.007967  0.310038  1
  P  P122  1  0.933721  0.324259  0.357497  1
  P  P123  1  0.915967  0.641332  0.405116  1
  P  P124  1  0.267055  0.990926  0.357497  1
  P  P125  1  0.249300  0.307998  0.405116  1
  P  P126  1  0.582633  0.974665  0.405116  1
  P  P127  1  0.484933  0.716679  0.333427  1
  P  P128  1  0.818266  0.383345  0.333427  1
  P  P129  1  0.800511  0.700418  0.381046  1
  P  P130  1  0.151600  0.050012  0.333427  1
  P  P131  1  0.133845  0.367085  0.381046  1
  P  P132  1  0.116090  0.684157  0.428665  1
  P  P133  1  0.467178  0.033751  0.381046  1
  P  P134  1  0.449423  0.350824  0.428665  1
  P  P135  1  0.782757  0.017491  0.428665  1
  P  P136  1  0.270904  0.726501  0.334729  1
  P  P137  1  0.604238  0.393168  0.334729  1
  P  P138  1  0.585952  0.710709  0.382722  1
  P  P139  1  0.937571  0.059835  0.334729  1
  P  P140  1  0.919285  0.377375  0.382722  1
  P  P141  1  0.954868  0.743154  0.287433  1
  P  P142  1  0.252618  0.044042  0.382722  1
  P  P143  1  0.288201  0.409821  0.287433  1
  P  P144  1  0.621535  0.076487  0.287433  1
  P  P145  1  0.280529  0.882556  0.312230  1
  P  P146  1  0.613862  0.549223  0.312230  1
  P  P147  1  0.596004  0.868235  0.360481  1
  P  P148  1  0.947195  0.215889  0.312230  1
  P  P149  1  0.929337  0.534902  0.360481  1
  P  P150  1  0.911582  0.851974  0.408100  1
  P  P151  1  0.262670  0.201568  0.360481  1
  P  P152  1  0.244916  0.518641  0.408100  1
  P  P153  1  0.578249  0.185308  0.408100  1
  P  P154  1  0.474881  0.559152  0.355669  1
  P  P155  1  0.808214  0.225819  0.355669  1
  P  P156  1  0.790459  0.542891  0.403288  1
  P  P157  1  0.141547  0.892485  0.355669  1
  P  P158  1  0.123793  0.209558  0.403288  1
  P  P159  1  0.159302  0.575413  0.308050  1
  P  P160  1  0.457126  0.876225  0.403288  1
  P  P161  1  0.492636  0.242079  0.308050  1
  P  P162  1  0.825969  0.908746  0.308050  1
  P  P163  1  0.229978  0.822997  0.397143  1
  P  P164  1  0.563311  0.489664  0.397143  1
  P  P165  1  0.598821  0.855518  0.301905  1
  P  P166  1  0.896644  0.156331  0.397143  1
  P  P167  1  0.932154  0.522185  0.301905  1
  P  P168  1  0.914399  0.839258  0.349524  1
  P  P169  1  0.265487  0.188852  0.301905  1
  P  P170  1  0.247733  0.505925  0.349524  1
  P  P171  1  0.581066  0.172591  0.349524  1
  P  P172  1  0.472064  0.571869  0.414244  1
  P  P173  1  0.805397  0.238535  0.414244  1
  P  P174  1  0.842572  0.604876  0.317931  1
  P  P175  1  0.138731  0.905202  0.414244  1
  P  P176  1  0.175905  0.271542  0.317931  1
  P  P177  1  0.156485  0.588129  0.366625  1
  P  P178  1  0.509238  0.938209  0.317931  1
  P  P179  1  0.489819  0.254796  0.366625  1
  P  P180  1  0.823152  0.921463  0.366625  1
  P  P181  1  0.179958  0.809566  0.428495  1
  P  P182  1  0.513291  0.476233  0.428495  1
  P  P183  1  0.548801  0.842088  0.333257  1
  P  P184  1  0.846624  0.142900  0.428495  1
  P  P185  1  0.882134  0.508754  0.333257  1
  P  P186  1  0.864379  0.825827  0.380876  1
  P  P187  1  0.215467  0.175421  0.333257  1
  P  P188  1  0.197713  0.492494  0.380876  1
  P  P189  1  0.531046  0.159160  0.380876  1
  P  P190  1  0.522084  0.585299  0.382893  1
  P  P191  1  0.855417  0.251966  0.382893  1
  P  P192  1  0.889166  0.617378  0.288667  1
  P  P193  1  0.188751  0.918633  0.382893  1
  P  P194  1  0.222499  0.284044  0.288667  1
  P  P195  1  0.206505  0.601560  0.335274  1
  P  P196  1  0.555833  0.950711  0.288667  1
  P  P197  1  0.539839  0.268227  0.335274  1
  P  P198  1  0.873172  0.934893  0.335274  1
  P  P199  1  0.284698  0.829000  0.295168  1
  P  P200  1  0.618031  0.495667  0.295168  1
  P  P201  1  0.600475  0.810757  0.342219  1
  P  P202  1  0.951364  0.162334  0.295168  1
  P  P203  1  0.933809  0.477424  0.342219  1
  P  P204  1  0.916054  0.794496  0.389838  1
  P  P205  1  0.267142  0.144090  0.342219  1
  P  P206  1  0.249387  0.461163  0.389838  1
  P  P207  1  0.582721  0.127830  0.389838  1
  P  P208  1  0.470409  0.616630  0.373930  1
  P  P209  1  0.803743  0.283297  0.373930  1
  P  P210  1  0.785988  0.600369  0.421550  1
  P  P211  1  0.137076  0.949963  0.373930  1
  P  P212  1  0.119321  0.267036  0.421550  1
  P  P213  1  0.154831  0.632891  0.326311  1
  P  P214  1  0.452654  0.933703  0.421550  1
  P  P215  1  0.488164  0.299557  0.326311  1
  P  P216  1  0.821497  0.966224  0.326311  1
  P  P217  1  0.291132  0.703343  0.567821  1
  P  P218  1  0.624466  0.370010  0.567821  1
  P  P219  1  0.659975  0.735864  0.472583  1
  P  P220  1  0.957799  0.036676  0.567821  1
  P  P221  1  0.993309  0.402531  0.472583  1
  P  P222  1  0.975554  0.719604  0.520202  1
  P  P223  1  0.326642  0.069198  0.472583  1
  P  P224  1  0.308887  0.386270  0.520202  1
  P  P225  1  0.642221  0.052937  0.520202  1
  P  P226  1  0.304381  0.593959  0.529281  1
  P  P227  1  0.637714  0.260626  0.529281  1
  P  P228  1  0.673223  0.626480  0.434042  1
  P  P229  1  0.971047  0.927292  0.529281  1
  P  P230  1  0.006557  0.293147  0.434042  1
  P  P231  1  0.988802  0.610220  0.481662  1
  P  P232  1  0.339890  0.959814  0.434042  1
  P  P233  1  0.322135  0.276886  0.481662  1
  P  P234  1  0.655469  0.943553  0.481662  1
  P  P235  1  0.284969  0.756136  0.539087  1
  P  P236  1  0.618302  0.422803  0.539087  1
  P  P237  1  0.653812  0.788658  0.443849  1
  P  P238  1  0.951635  0.089470  0.539087  1
  P  P239  1  0.987145  0.455324  0.443849  1
  P  P240  1  0.969390  0.772397  0.491468  1
  P  P241  1  0.320478  0.121991  0.443849  1
  P  P242  1  0.302723  0.439064  0.491468  1
  P  P243  1  0.636057  0.105730  0.491468  1
  P  P244  1  0.310544  0.541166  0.558015  1
  P  P245  1  0.643878  0.207832  0.558015  1
  P  P246  1  0.679387  0.573687  0.462777  1
  P  P247  1  0.977211  0.874499  0.558015  1
  P  P248  1  0.012721  0.240354  0.462777  1
  P  P249  1  0.994966  0.557426  0.510396  1
  P  P250  1  0.346054  0.907020  0.462777  1
  P  P251  1  0.328299  0.224093  0.510396  1
  P  P252  1  0.661633  0.890760  0.510396  1
  P  P253  1  0.335484  0.744247  0.570710  1
  P  P254  1  0.668818  0.410914  0.570710  1
  P  P255  1  0.704327  0.776769  0.475472  1
  P  P256  1  0.002151  0.077581  0.570710  1
  P  P257  1  0.037660  0.443435  0.475472  1
  P  P258  1  0.019906  0.760508  0.523091  1
  P  P259  1  0.370994  0.110102  0.475472  1
  P  P260  1  0.353239  0.427175  0.523091  1
  P  P261  1  0.686572  0.093841  0.523091  1
  P  P262  1  0.260029  0.553054  0.526392  1
  P  P263  1  0.593362  0.219721  0.526392  1
  P  P264  1  0.628872  0.585576  0.431154  1
  P  P265  1  0.926696  0.886388  0.526392  1
  P  P266  1  0.962205  0.252242  0.431154  1
  P  P267  1  0.944450  0.569315  0.478773  1
  P  P268  1  0.295538  0.918909  0.431154  1
  P  P269  1  0.277784  0.235982  0.478773  1
  P  P270  1  0.611117  0.902648  0.478773  1
  P  P271  1  0.335872  0.803183  0.456135  1
  P  P272  1  0.669205  0.469850  0.456135  1
  P  P273  1  0.651450  0.786922  0.503754  1
  P  P274  1  0.002538  0.136516  0.456135  1
  P  P275  1  0.984784  0.453589  0.503754  1
  P  P276  1  0.967029  0.770662  0.551373  1
  P  P277  1  0.318117  0.120256  0.503754  1
  P  P278  1  0.300362  0.437328  0.551373  1
  P  P279  1  0.633696  0.103995  0.551373  1
  P  P280  1  0.312906  0.542901  0.498109  1
  P  P281  1  0.646239  0.209568  0.498109  1
  P  P282  1  0.628484  0.526640  0.545728  1
  P  P283  1  0.979572  0.876234  0.498109  1
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