# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   51.20877197
_cell_length_b   38.54203944
_cell_length_c   47.45158142
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.22967097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P432
_cell_volume   93330.3213776
_cell_formula_units_Z   432
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  0.262015  0.563887  0.292530  1
  P  P2  1  0.595348  0.563887  0.292530  1
  P  P3  1  0.284626  0.117455  0.363986  1
  P  P4  1  0.928681  0.563887  0.292530  1
  P  P5  1  0.617959  0.117455  0.363986  1
  P  P6  1  0.951292  0.117455  0.363986  1
  P  P7  1  0.279390  0.423812  0.351180  1
  P  P8  1  0.612723  0.423812  0.351180  1
  P  P9  1  0.301990  0.977512  0.422609  1
  P  P10  1  0.946056  0.423812  0.351180  1
  P  P11  1  0.635324  0.977512  0.422609  1
  P  P12  1  0.968657  0.977512  0.422609  1
  P  P13  1  0.273567  0.695809  0.382713  1
  P  P14  1  0.606901  0.695809  0.382713  1
  P  P15  1  0.250967  0.142109  0.311284  1
  P  P16  1  0.940234  0.695809  0.382713  1
  P  P17  1  0.584300  0.142109  0.311284  1
  P  P18  1  0.917633  0.142109  0.311284  1
  P  P19  1  0.313049  0.399158  0.403882  1
  P  P20  1  0.646382  0.399158  0.403882  1
  P  P21  1  0.289735  0.845099  0.332228  1
  P  P22  1  0.979715  0.399158  0.403882  1
  P  P23  1  0.623068  0.845099  0.332228  1
  P  P24  1  0.956401  0.845099  0.332228  1
  P  P25  1  0.334980  0.691887  0.379626  1
  P  P26  1  0.668313  0.691887  0.379626  1
  P  P27  1  0.312379  0.138187  0.308197  1
  P  P28  1  1.001647  0.691887  0.379626  1
  P  P29  1  0.645713  0.138187  0.308197  1
  P  P30  1  0.979046  0.138187  0.308197  1
  P  P31  1  0.251636  0.403080  0.406969  1
  P  P32  1  0.584969  0.403080  0.406969  1
  P  P33  1  0.229744  0.848923  0.335251  1
  P  P34  1  0.918303  0.403080  0.406969  1
  P  P35  1  0.563078  0.848923  0.335251  1
  P  P36  1  0.896411  0.848923  0.335251  1
  P  P37  1  0.304329  0.749417  0.416455  1
  P  P38  1  0.637662  0.749417  0.416455  1
  P  P39  1  0.281728  0.195717  0.345027  1
  P  P40  1  0.970996  0.749417  0.416455  1
  P  P41  1  0.615062  0.195717  0.345027  1
  P  P42  1  0.948395  0.195717  0.345027  1
  P  P43  1  0.282287  0.345550  0.370140  1
  P  P44  1  0.615620  0.345550  0.370140  1
  P  P45  1  0.259680  0.792799  0.299199  1
  P  P46  1  0.948954  0.345550  0.370140  1
  P  P47  1  0.593014  0.792799  0.299199  1
  P  P48  1  0.926347  0.792799  0.299199  1
  P  P49  1  0.408319  0.556058  0.366451  1
  P  P50  1  0.741652  0.556058  0.366451  1
  P  P51  1  0.383659  1.002097  0.295214  1
  P  P52  1  0.074985  0.556058  0.366451  1
  P  P53  1  0.716992  1.002097  0.295214  1
  P  P54  1  0.050325  1.002097  0.295214  1
  P  P55  1  0.178297  0.538909  0.420144  1
  P  P56  1  0.511631  0.538909  0.420144  1
  P  P57  1  0.155697  0.985209  0.348716  1
  P  P58  1  0.844964  0.538909  0.420144  1
  P  P59  1  0.489030  0.985209  0.348716  1
  P  P60  1  0.822363  0.985209  0.348716  1
  P  P61  1  0.347935  0.549438  0.373036  1
  P  P62  1  0.681268  0.549438  0.373036  1
  P  P63  1  0.327384  0.995922  0.301376  1
  P  P64  1  0.014602  0.549438  0.373036  1
  P  P65  1  0.660717  0.995922  0.301376  1
  P  P66  1  0.994051  0.995922  0.301376  1
  P  P67  1  0.238681  0.545529  0.413559  1
  P  P68  1  0.572014  0.545529  0.413559  1
  P  P69  1  0.216080  0.991829  0.342131  1
  P  P70  1  0.905348  0.545529  0.413559  1
  P  P71  1  0.549414  0.991829  0.342131  1
  P  P72  1  0.882747  0.991829  0.342131  1
  P  P73  1  0.370532  0.573202  0.315317  1
  P  P74  1  0.703865  0.573202  0.315317  1
  P  P75  1  0.393133  0.126901  0.386746  1
  P  P76  1  0.037199  0.573202  0.315317  1
  P  P77  1  0.726466  0.126901  0.386746  1
  P  P78  1  0.059799  0.126901  0.386746  1
  P  P79  1  0.170484  0.416966  0.327741  1
  P  P80  1  0.503817  0.416966  0.327741  1
  P  P81  1  0.193483  0.968066  0.399849  1
  P  P82  1  0.837150  0.416966  0.327741  1
  P  P83  1  0.526817  0.968066  0.399849  1
  P  P84  1  0.860150  0.968066  0.399849  1
  P  P85  1  0.381991  0.495905  0.335601  1
  P  P86  1  0.715324  0.495905  0.335601  1
  P  P87  1  0.404592  0.049605  0.407030  1
  P  P88  1  0.048658  0.495905  0.335601  1
  P  P89  1  0.737925  0.049605  0.407030  1
  P  P90  1  0.071259  0.049605  0.407030  1
  P  P91  1  0.159813  0.488985  0.308778  1
  P  P92  1  0.493146  0.488985  0.308778  1
  P  P93  1  0.182024  0.045362  0.379565  1
  P  P94  1  0.826479  0.488985  0.308778  1
  P  P95  1  0.515357  0.045362  0.379565  1
  P  P96  1  0.848691  0.045362  0.379565  1
  P  P97  1  0.161776  0.717908  0.310016  1
  P  P98  1  0.495109  0.717908  0.310016  1
  P  P99  1  0.184376  0.271608  0.381445  1
  P  P100  1  0.828442  0.717908  0.310016  1
  P  P101  1  0.517710  0.271608  0.381445  1
  P  P102  1  0.851043  0.271608  0.381445  1
  P  P103  1  0.379639  0.269660  0.333721  1
  P  P104  1  0.712972  0.269660  0.333721  1
  P  P105  1  0.402240  0.823359  0.405150  1
  P  P106  1  0.046306  0.269660  0.333721  1
  P  P107  1  0.735573  0.823359  0.405150  1
  P  P108  1  0.068906  0.823359  0.405150  1
  P  P109  1  0.135697  0.652170  0.288016  1
  P  P110  1  0.469031  0.652170  0.288016  1
  P  P111  1  0.158298  0.205870  0.359445  1
  P  P112  1  0.802364  0.652170  0.288016  1
  P  P113  1  0.491632  0.205870  0.359445  1
  P  P114  1  0.824965  0.205870  0.359445  1
  P  P115  1  0.405717  0.335397  0.355722  1
  P  P116  1  0.739050  0.335397  0.355722  1
  P  P117  1  0.428318  0.889097  0.427150  1
  P  P118  1  0.072384  0.335397  0.355722  1
  P  P119  1  0.761651  0.889097  0.427150  1
  P  P120  1  0.094985  0.889097  0.427150  1
  P  P121  1  0.114907  0.689810  0.343270  1
  P  P122  1  0.448240  0.689810  0.343270  1
  P  P123  1  0.137507  0.243510  0.414698  1
  P  P124  1  0.781573  0.689810  0.343270  1
  P  P125  1  0.470841  0.243510  0.414698  1
  P  P126  1  0.804174  0.243510  0.414698  1
  P  P127  1  0.426508  0.297758  0.300468  1
  P  P128  1  0.759841  0.297758  0.300468  1
  P  P129  1  0.449109  0.851458  0.371897  1
  P  P130  1  0.093175  0.297758  0.300468  1
  P  P131  1  0.782442  0.851458  0.371897  1
  P  P132  1  0.115775  0.851458  0.371897  1
  P  P133  1  0.169899  0.647226  0.343000  1
  P  P134  1  0.503232  0.647226  0.343000  1
  P  P135  1  0.192500  0.200926  0.414428  1
  P  P136  1  0.836565  0.647226  0.343000  1
  P  P137  1  0.525833  0.200926  0.414428  1
  P  P138  1  0.859166  0.200926  0.414428  1
  P  P139  1  0.371516  0.340341  0.300738  1
  P  P140  1  0.704849  0.340341  0.300738  1
  P  P141  1  0.394116  0.894041  0.372167  1
  P  P142  1  0.038182  0.340341  0.300738  1
  P  P143  1  0.727450  0.894041  0.372167  1
  P  P144  1  0.060783  0.894041  0.372167  1
  P  P145  1  0.307226  0.671155  0.435415  1
  P  P146  1  0.640560  0.671155  0.435415  1
  P  P147  1  0.329827  0.224855  0.506844  1
  P  P148  1  0.973893  0.671155  0.435415  1
  P  P149  1  0.663160  0.224855  0.506844  1
  P  P150  1  0.996494  0.224855  0.506844  1
  P  P151  1  0.324591  0.531212  0.494037  1
  P  P152  1  0.657925  0.531212  0.494037  1
  P  P153  1  0.347192  0.084912  0.565466  1
  P  P154  1  0.991258  0.531212  0.494037  1
  P  P155  1  0.680525  0.084912  0.565466  1
  P  P156  1  0.013859  0.084912  0.565466  1
  P  P157  1  0.318769  0.803209  0.525570  1
  P  P158  1  0.652102  0.803209  0.525570  1
  P  P159  1  0.296168  0.249509  0.454141  1
  P  P160  1  0.985435  0.803209  0.525570  1
  P  P161  1  0.629501  0.249509  0.454141  1
  P  P162  1  0.962835  0.249509  0.454141  1
  P  P163  1  0.358250  0.506558  0.546739  1
  P  P164  1  0.691584  0.506558  0.546739  1
  P  P165  1  0.335649  0.952858  0.475311  1
  P  P166  1  0.024917  0.506558  0.546739  1
  P  P167  1  0.668983  0.952858  0.475311  1
  P  P168  1  1.002316  0.952858  0.475311  1
  P  P169  1  0.380182  0.799287  0.522483  1
  P  P170  1  0.713515  0.799287  0.522483  1
  P  P171  1  0.357581  0.245587  0.451054  1
  P  P172  1  0.046848  0.799287  0.522483  1
  P  P173  1  0.690914  0.245587  0.451054  1
  P  P174  1  0.024248  0.245587  0.451054  1
  P  P175  1  0.296837  0.510480  0.549827  1
  P  P176  1  0.630171  0.510480  0.549827  1
  P  P177  1  0.274237  0.956780  0.478398  1
  P  P178  1  0.963504  0.510480  0.549827  1
  P  P179  1  0.607570  0.956780  0.478398  1
  P  P180  1  0.940903  0.956780  0.478398  1
  P  P181  1  0.349531  0.856817  0.559312  1
  P  P182  1  0.682864  0.856817  0.559312  1
  P  P183  1  0.326930  0.303117  0.487884  1
  P  P184  1  0.016197  0.856817  0.559312  1
  P  P185  1  0.660263  0.303117  0.487884  1
  P  P186  1  0.993596  0.303117  0.487884  1
  P  P187  1  0.327488  0.452950  0.512997  1
  P  P188  1  0.660822  0.452950  0.512997  1
  P  P189  1  0.304888  0.899250  0.441568  1
  P  P190  1  0.994155  0.452950  0.512997  1
  P  P191  1  0.638221  0.899250  0.441568  1
  P  P192  1  0.971554  0.899250  0.441568  1
  P  P193  1  0.453520  0.663458  0.509308  1
  P  P194  1  0.786853  0.663458  0.509308  1
  P  P195  1  0.430919  0.109758  0.437879  1
  P  P196  1  0.120187  0.663458  0.509308  1
  P  P197  1  0.764253  0.109758  0.437879  1
  P  P198  1  0.097586  0.109758  0.437879  1
  P  P199  1  0.223499  0.646309  0.563002  1
  P  P200  1  0.556832  0.646309  0.563002  1
  P  P201  1  0.200898  0.092609  0.491573  1
  P  P202  1  0.890166  0.646309  0.563002  1
  P  P203  1  0.534232  0.092609  0.491573  1
  P  P204  1  0.867565  0.092609  0.491573  1
  P  P205  1  0.393137  0.656838  0.515893  1
  P  P206  1  0.726470  0.656838  0.515893  1
  P  P207  1  0.370536  0.103138  0.444464  1
  P  P208  1  0.059803  0.656838  0.515893  1
  P  P209  1  0.703869  0.103138  0.444464  1
  P  P210  1  0.037202  0.103138  0.444464  1
  P  P211  1  0.283883  0.652929  0.556416  1
  P  P212  1  0.617216  0.652929  0.556416  1
  P  P213  1  0.261282  0.099229  0.484988  1
  P  P214  1  0.950549  0.652929  0.556416  1
  P  P215  1  0.594615  0.099229  0.484988  1
  P  P216  1  0.927948  0.099229  0.484988  1
  P  P217  1  0.415733  0.680601  0.458174  1
  P  P218  1  0.749067  0.680601  0.458174  1
  P  P219  1  0.438334  0.234301  0.529603  1
  P  P220  1  0.082400  0.680601  0.458174  1
  P  P221  1  0.771667  0.234301  0.529603  1
  P  P222  1  0.105001  0.234301  0.529603  1
  P  P223  1  0.216084  0.521766  0.471278  1
  P  P224  1  0.549417  0.521766  0.471278  1
  P  P225  1  0.238685  0.075465  0.542707  1
  P  P226  1  0.882751  0.521766  0.471278  1
  P  P227  1  0.572018  0.075465  0.542707  1
  P  P228  1  0.905352  0.075465  0.542707  1
  P  P229  1  0.427193  0.603305  0.478458  1
  P  P230  1  0.760526  0.603305  0.478458  1
  P  P231  1  0.449793  0.157005  0.549887  1
  P  P232  1  0.093859  0.603305  0.478458  1
  P  P233  1  0.783127  0.157005  0.549887  1
  P  P234  1  0.116460  0.157005  0.549887  1
  P  P235  1  0.204625  0.599062  0.450994  1
  P  P236  1  0.537958  0.599062  0.450994  1
  P  P237  1  0.227226  0.152762  0.522422  1
  P  P238  1  0.871292  0.599062  0.450994  1
  P  P239  1  0.560559  0.152762  0.522422  1
  P  P240  1  0.893892  0.152762  0.522422  1
  P  P241  1  0.206977  0.825308  0.452874  1
  P  P242  1  0.540310  0.825308  0.452874  1
  P  P243  1  0.229578  0.379007  0.524302  1
  P  P244  1  0.873644  0.825308  0.452874  1
  P  P245  1  0.562911  0.379007  0.524302  1
  P  P246  1  0.896245  0.379007  0.524302  1
  P  P247  1  0.424840  0.377059  0.476579  1
  P  P248  1  0.758174  0.377059  0.476579  1
  P  P249  1  0.447441  0.930759  0.548007  1
  P  P250  1  0.091507  0.377059  0.476579  1
  P  P251  1  0.780775  0.930759  0.548007  1
  P  P252  1  0.114108  0.930759  0.548007  1
  P  P253  1  0.180899  0.759570  0.430873  1
  P  P254  1  0.514232  0.759570  0.430873  1
  P  P255  1  0.203500  0.313270  0.502302  1
  P  P256  1  0.847566  0.759570  0.430873  1
  P  P257  1  0.536833  0.313270  0.502302  1
  P  P258  1  0.870166  0.313270  0.502302  1
  P  P259  1  0.450919  0.442797  0.498579  1
  P  P260  1  0.784252  0.442797  0.498579  1
  P  P261  1  0.473519  0.996497  0.570007  1
  P  P262  1  0.117585  0.442797  0.498579  1
  P  P263  1  0.806853  0.996497  0.570007  1
  P  P264  1  0.140186  0.996497  0.570007  1
  P  P265  1  0.160108  0.797209  0.486127  1
  P  P266  1  0.493441  0.797209  0.486127  1
  P  P267  1  0.182709  0.350909  0.557556  1
  P  P268  1  0.826775  0.797209  0.486127  1
  P  P269  1  0.516042  0.350909  0.557556  1
  P  P270  1  0.849376  0.350909  0.557556  1
  P  P271  1  0.471709  0.405157  0.443325  1
  P  P272  1  0.805043  0.405157  0.443325  1
  P  P273  1  0.494310  0.958857  0.514754  1
  P  P274  1  0.138376  0.405157  0.443325  1
  P  P275  1  0.827644  0.958857  0.514754  1
  P  P276  1  0.160977  0.958857  0.514754  1
  P  P277  1  0.215100  0.754626  0.485857  1
  P  P278  1  0.548434  0.754626  0.485857  1
  P  P279  1  0.237701  0.308326  0.557286  1
  P  P280  1  0.881767  0.754626  0.485857  1
  P  P281  1  0.571034  0.308326  0.557286  1
  P  P282  1  0.904368  0.308326  0.557286  1
  P  P283  1  0.416717  0.447741  0.443595  1
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