# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   41.98826199
_cell_length_b   18.56775479
_cell_length_c   51.54710463
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.37075641
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P504
_cell_volume   40106.9592162
_cell_formula_units_Z   504
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  0.994765  0.521035  0.378772  1
  P  P2  1  0.004361  0.163279  0.293915  1
  P  P3  1  0.980205  0.379242  0.414706  1
  P  P4  1  0.989824  0.022603  0.329895  1
  P  P5  1  0.614202  0.791443  0.328135  1
  P  P6  1  0.604144  0.134593  0.410190  1
  P  P7  1  0.435073  0.394882  0.349508  1
  P  P8  1  0.443278  0.049469  0.267777  1
  P  P9  1  0.440647  0.722331  0.307617  1
  P  P10  1  0.431811  0.064354  0.390393  1
  P  P11  1  0.001872  0.504002  0.315528  1
  P  P12  1  0.992369  0.860724  0.399571  1
  P  P13  1  0.367185  0.643844  0.412229  1
  P  P14  1  0.375589  0.301253  0.331267  1
  P  P15  1  0.608867  0.456698  0.363808  1
  P  P16  1  0.625144  0.132020  0.305498  1
  P  P17  1  0.362081  0.432034  0.372637  1
  P  P18  1  0.371988  0.090079  0.288755  1
  P  P19  1  0.359568  0.264165  0.392187  1
  P  P20  1  0.372316  0.923410  0.309122  1
  P  P21  1  0.425003  0.691855  0.370410  1
  P  P22  1  0.434467  0.347473  0.287997  1
  P  P23  1  0.874373  0.684482  0.364044  1
  P  P24  1  0.887591  0.326245  0.279045  1
  P  P25  1  0.109592  0.848514  0.279444  1
  P  P26  1  0.105029  0.207026  0.364043  1
  P  P27  1  0.820609  0.761852  0.325317  1
  P  P28  1  0.809914  0.115571  0.410814  1
  P  P29  1  0.110417  0.519193  0.323033  1
  P  P30  1  0.101189  0.875142  0.406645  1
  P  P31  1  0.302556  0.331407  0.355895  1
  P  P32  1  0.314754  0.033937  0.324647  1
  P  P33  1  0.419221  0.362449  0.412138  1
  P  P34  1  0.430664  0.019712  0.329003  1
  P  P35  1  0.557022  0.743142  0.368279  1
  P  P36  1  0.569201  0.397165  0.289021  1
  P  P37  1  0.993027  0.681905  0.307619  1
  P  P38  1  0.982884  0.039600  0.393674  1
  P  P39  1  0.945326  0.577849  0.276367  1
  P  P40  1  0.936113  0.933464  0.360684  1
  P  P41  1  0.042940  0.289383  0.389873  1
  P  P42  1  0.051628  0.934931  0.304778  1
  P  P43  1  0.007981  0.489570  0.253459  1
  P  P44  1  0.999865  0.842223  0.335876  1
  P  P45  1  0.560658  0.870521  0.287675  1
  P  P46  1  0.549091  0.206878  0.370201  1
  P  P47  1  0.385515  0.790762  0.269356  1
  P  P48  1  0.373616  0.133665  0.349877  1
  P  P49  1  0.607318  0.298649  0.389534  1
  P  P50  1  0.617957  0.958860  0.310066  1
  P  P51  1  0.556682  0.700310  0.306586  1
  P  P52  1  0.546296  0.041061  0.392255  1
  P  P53  1  0.824868  0.409922  0.304832  1
  P  P54  1  0.812075  0.774055  0.388890  1
  P  P55  1  0.611840  0.626089  0.347697  1
  P  P56  1  0.609565  0.259439  0.264980  1
  P  P57  1  0.923944  0.452152  0.375644  1
  P  P58  1  0.933529  0.093588  0.291277  1
  P  P59  1  0.860484  0.542318  0.400003  1
  P  P60  1  0.870024  0.187388  0.315992  1
  P  P61  1  0.437939  0.558135  0.329093  1
  P  P62  1  0.428033  0.901645  0.410911  1
  P  P63  1  0.500729  0.816402  0.327960  1
  P  P64  1  0.490803  0.158421  0.411284  1
  P  P65  1  0.817207  0.918390  0.263060  1
  P  P66  1  0.816467  0.099743  0.347671  1
  P  P67  1  0.056312  0.590628  0.283603  1
  P  P68  1  0.046048  0.949920  0.368604  1
  P  P69  1  0.378049  0.462488  0.308788  1
  P  P70  1  0.368402  0.807106  0.391358  1
  P  P71  1  0.365528  0.595750  0.351508  1
  P  P72  1  0.371736  0.258343  0.272046  1
  P  P73  1  0.552519  0.416031  0.409448  1
  P  P74  1  0.561337  0.069528  0.331952  1
  P  P75  1  0.436338  0.513513  0.269362  1
  P  P76  1  0.427357  0.856031  0.349898  1
  P  P77  1  0.929502  0.771936  0.333319  1
  P  P78  1  0.918639  0.129564  0.418412  1
  P  P79  1  0.063027  0.751889  0.311023  1
  P  P80  1  0.053739  0.110535  0.395990  1
  P  P81  1  0.495195  0.486950  0.369350  1
  P  P82  1  0.500827  0.143385  0.286119  1
  P  P83  1  0.986964  0.361676  0.350609  1
  P  P84  1  0.996867  0.005705  0.266214  1
  P  P85  1  0.612262  0.683094  0.408227  1
  P  P86  1  0.619554  0.303924  0.327290  1
  P  P87  1  0.565435  0.561239  0.267575  1
  P  P88  1  0.560141  0.906900  0.349066  1
  P  P89  1  0.931023  0.611968  0.403091  1
  P  P90  1  0.941281  0.253449  0.318551  1
  P  P91  1  0.867590  0.524656  0.336502  1
  P  P92  1  0.878450  0.165144  0.254204  1
  P  P93  1  0.007805  0.826850  0.272946  1
  P  P94  1  0.997009  0.181696  0.357763  1
  P  P95  1  0.501605  0.773718  0.268276  1
  P  P96  1  0.489266  0.114909  0.349207  1
  P  P97  1  0.815038  0.435159  0.367907  1
  P  P98  1  0.824432  0.077677  0.285004  1
  P  P99  1  0.938109  0.594372  0.339415  1
  P  P100  1  0.948774  0.231216  0.255429  1
  P  P101  1  0.040778  0.627621  0.410961  1
  P  P102  1  0.048865  0.272076  0.325626  1
  P  P103  1  0.549335  0.367938  0.348513  1
  P  P104  1  0.568372  0.053466  0.272757  1
  P  P105  1  0.117715  0.491863  0.262952  1
  P  P106  1  0.106875  0.861407  0.342392  1
  P  P107  1  0.307529  0.552108  0.394710  1
  P  P108  1  0.316509  0.203587  0.314516  1
  P  P109  1  0.495743  0.608251  0.287347  1
  P  P110  1  0.488004  0.949898  0.369447  1
  P  P111  1  0.119363  0.343357  0.325816  1
  P  P112  1  0.109927  0.698627  0.413976  1
  P  P113  1  0.048701  0.610241  0.347189  1
  P  P114  1  0.055457  0.253079  0.262617  1
  P  P115  1  0.878684  0.345637  0.343370  1
  P  P116  1  0.886343  0.988508  0.259630  1
  P  P117  1  0.051241  0.449015  0.417814  1
  P  P118  1  0.060993  0.092969  0.332959  1
  P  P119  1  0.882428  0.666956  0.300435  1
  P  P120  1  0.871315  0.023527  0.385505  1
  P  P121  1  0.874273  0.846188  0.295790  1
  P  P122  1  0.863268  0.203044  0.380056  1
  P  P123  1  0.380544  0.627846  0.289904  1
  P  P124  1  0.369878  0.973706  0.370143  1
  P  P125  1  0.305502  0.387665  0.414630  1
  P  P126  1  0.304256  0.122797  0.376425  1
  P  P127  1  0.494292  0.443043  0.307197  1
  P  P128  1  0.484698  0.786142  0.390343  1
  P  P129  1  0.931389  0.434854  0.311599  1
  P  P130  1  0.921982  0.790367  0.397014  1
  P  P131  1  0.810660  0.938055  0.324037  1
  P  P132  1  0.808527  0.276386  0.342823  1
  P  P133  1  0.103463  0.541090  0.386307  1
  P  P134  1  0.110767  0.186650  0.300464  1
  P  P135  1  0.058443  0.430299  0.354418  1
  P  P136  1  0.066696  0.076275  0.270164  1
  P  P137  1  0.985398  0.699817  0.371755  1
  P  P138  1  0.992473  0.344189  0.285856  1
  P  P139  1  0.492186  0.322442  0.390532  1
  P  P140  1  0.503774  0.980445  0.306103  1
  P  P141  1  0.062965  0.412048  0.290016  1
  P  P142  1  0.055889  0.769828  0.374617  1
  P  P143  1  0.367705  0.760728  0.330436  1
  P  P144  1  0.361594  0.101993  0.414374  1
  P  P145  1  0.937550  0.755839  0.270720  1
  P  P146  1  0.926190  0.112329  0.354973  1
  P  P147  1  0.869132  0.363277  0.406741  1
  P  P148  1  0.879877  0.006799  0.322241  1
  P  P149  1  0.552698  0.535461  0.328007  1
  P  P150  1  0.545433  0.875437  0.410904  1
  P  P151  1  0.444270  0.885887  0.287432  1
  P  P152  1  0.432691  0.228925  0.370610  1
  P  P153  1  0.497688  0.651853  0.348520  1
  P  P154  1  0.508659  0.310237  0.267713  1
  P  P155  1  0.876006  0.504621  0.274711  1
  P  P156  1  0.866468  0.862426  0.359237  1
  P  P157  1  0.482421  0.620486  0.410829  1
  P  P158  1  0.489377  0.278672  0.328849  1
  P  P159  1  0.933579  0.272842  0.382453  1
  P  P160  1  0.944294  0.915420  0.296946  1
  P  P161  1  0.556089  0.578920  0.389257  1
  P  P162  1  0.558604  0.227598  0.306911  1
  P  P163  1  0.310425  0.712706  0.371197  1
  P  P164  1  0.316609  0.369553  0.295018  1
  P  P165  1  0.306619  0.500799  0.334823  1
  P  P166  1  0.313542  0.878701  0.351677  1
  P  P167  1  0.422563  0.526867  0.391664  1
  P  P168  1  0.430205  0.184648  0.308792  1
  P  P169  1  0.974270  0.235357  0.547793  1
  P  P170  1  0.984488  0.878451  0.462947  1
  P  P171  1  0.960312  0.092949  0.584196  1
  P  P172  1  0.970532  0.735709  0.499204  1
  P  P173  1  0.594390  0.478131  0.492057  1
  P  P174  1  0.585632  0.824833  0.579027  1
  P  P175  1  0.415671  0.080247  0.514260  1
  P  P176  1  0.426574  0.736935  0.431679  1
  P  P177  1  0.420509  0.408042  0.473442  1
  P  P178  1  0.410892  0.751487  0.555365  1
  P  P179  1  0.981863  0.217971  0.484522  1
  P  P180  1  0.971895  0.574798  0.569117  1
  P  P181  1  0.346977  0.330670  0.577097  1
  P  P182  1  0.356979  0.986310  0.492971  1
  P  P183  1  0.589924  0.150523  0.534554  1
  P  P184  1  0.600243  0.808062  0.452490  1
  P  P185  1  0.343945  0.119911  0.536556  1
  P  P186  1  0.354353  0.777074  0.454319  1
  P  P187  1  0.339611  0.954904  0.555347  1
  P  P188  1  0.349611  0.612429  0.474302  1
  P  P189  1  0.404716  0.378344  0.535766  1
  P  P190  1  0.415990  0.034270  0.453559  1
  P  P191  1  0.854001  0.398393  0.533776  1
  P  P192  1  0.864238  0.041604  0.449211  1
  P  P193  1  0.096269  0.558487  0.449758  1
  P  P194  1  0.086235  0.915948  0.533841  1
  P  P195  1  0.799920  0.471828  0.494802  1
  P  P196  1  0.790281  0.826418  0.580003  1
  P  P197  1  0.091248  0.232007  0.491921  1
  P  P198  1  0.081111  0.587879  0.576901  1
  P  P199  1  0.286675  0.034042  0.513177  1
  P  P200  1  0.295921  0.693194  0.433194  1
  P  P201  1  0.399804  0.050399  0.576898  1
  P  P202  1  0.410360  0.706178  0.494362  1
  P  P203  1  0.538509  0.431572  0.533999  1
  P  P204  1  0.548509  0.089097  0.452954  1
  P  P205  1  0.972654  0.396437  0.478243  1
  P  P206  1  0.962825  0.753284  0.562627  1
  P  P207  1  0.925295  0.290717  0.445673  1
  P  P208  1  0.915466  0.647565  0.530058  1
  P  P209  1  0.023882  0.002398  0.559090  1
  P  P210  1  0.034119  0.645609  0.474525  1
  P  P211  1  0.989443  0.200085  0.421130  1
  P  P212  1  0.979574  0.557063  0.505650  1
  P  P213  1  0.539132  0.548600  0.451448  1
  P  P214  1  0.531355  0.892936  0.534066  1
  P  P215  1  0.364147  0.479900  0.433607  1
  P  P216  1  0.353727  0.822899  0.514804  1
  P  P217  1  0.587728  0.987370  0.557678  1
  P  P218  1  0.597560  0.640750  0.469377  1
  P  P219  1  0.536669  0.385223  0.472615  1
  P  P220  1  0.527502  0.730302  0.555032  1
  P  P221  1  0.801885  0.128053  0.474460  1
  P  P222  1  0.791851  0.485514  0.558542  1
  P  P223  1  0.592547  0.313942  0.513186  1
  P  P224  1  0.602763  0.971930  0.432562  1
  P  P225  1  0.903632  0.165551  0.545354  1
  P  P226  1  0.913850  0.808644  0.460508  1
  P  P227  1  0.839864  0.255585  0.569647  1
  P  P228  1  0.849775  0.899186  0.485051  1
  P  P229  1  0.417525  0.244046  0.494059  1
  P  P230  1  0.408587  0.587833  0.576342  1
  P  P231  1  0.480881  0.501730  0.493397  1
  P  P232  1  0.469900  0.844730  0.575061  1
  P  P233  1  0.807009  0.456123  0.431400  1
  P  P234  1  0.796872  0.811995  0.516380  1
  P  P235  1  0.036251  0.306517  0.453566  1
  P  P236  1  0.026542  0.662671  0.538077  1
  P  P237  1  0.356765  0.151065  0.474235  1
  P  P238  1  0.348988  0.495401  0.556853  1
  P  P239  1  0.344908  0.284592  0.516039  1
  P  P240  1  0.355534  0.938651  0.432452  1
  P  P241  1  0.532586  0.105351  0.575849  1
  P  P242  1  0.543212  0.759409  0.492261  1
  P  P243  1  0.418220  0.199272  0.433240  1
  P  P244  1  0.407239  0.542272  0.514904  1
  P  P245  1  0.908546  0.486938  0.502651  1
  P  P246  1  0.898677  0.843917  0.587171  1
  P  P247  1  0.043406  0.466745  0.480959  1
  P  P248  1  0.033364  0.823464  0.564936  1
  P  P249  1  0.474789  0.173846  0.534743  1
  P  P250  1  0.485621  0.829958  0.451794  1
  P  P251  1  0.967523  0.075056  0.520532  1
  P  P252  1  0.977754  0.717926  0.435706  1
  P  P253  1  0.592199  0.350808  0.575107  1
  P  P254  1  0.601445  0.009960  0.495124  1
  P  P255  1  0.550136  0.252989  0.431055  1
  P  P256  1  0.540775  0.596578  0.512734  1
  P  P257  1  0.910366  0.326076  0.572595  1
  P  P258  1  0.920597  0.968946  0.487769  1
  P  P259  1  0.846991  0.237985  0.506329  1
  P  P260  1  0.857289  0.881069  0.421969  1
  P  P261  1  0.987113  0.538970  0.442316  1
  P  P262  1  0.976956  0.895986  0.526536  1
  P  P263  1  0.479533  0.456169  0.431959  1
  P  P264  1  0.470595  0.799956  0.514241  1
  P  P265  1  0.794142  0.147746  0.537901  1
  P  P266  1  0.804478  0.789648  0.452715  1
  P  P267  1  0.917588  0.308292  0.509096  1
  P  P268  1  0.927808  0.951053  0.424104  1
  P  P269  1  0.020495  0.340765  0.580678  1
  P  P270  1  0.030780  0.984249  0.495444  1
  P  P271  1  0.531141  0.057692  0.515330  1
  P  P272  1  0.541143  0.713332  0.431204  1
  P  P273  1  0.097840  0.217583  0.428298  1
  P  P274  1  0.088201  0.572174  0.513498  1
  P  P275  1  0.287877  0.235940  0.555811  1
  P  P276  1  0.298196  0.893478  0.473747  1
  P  P277  1  0.477228  0.292515  0.452935  1
  P  P278  1  0.467611  0.635960  0.534858  1
  P  P279  1  0.099916  0.054864  0.497196  1
  P  P280  1  0.089419  0.411272  0.583726  1
  P  P281  1  0.028976  0.323761  0.517034  1
  P  P282  1  0.039334  0.967423  0.432110  1
  P  P283  1  0.857340  0.059753  0.512856  1
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  P  P503  1  0.387293  0.900617  0.722181  1
  P  P504  1  0.392925  0.557052  0.638951  1
