# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.75708241
_cell_length_b   15.55314176
_cell_length_c   41.84471490
_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   13426.3663259
_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  0.276505  0.199792  0.967141  1
  P  P2  1  0.276505  0.699792  0.967141  1
  P  P3  1  0.776505  0.199792  0.967141  1
  P  P4  1  0.776505  0.699792  0.967141  1
  P  P5  1  0.128895  0.284129  0.975435  1
  P  P6  1  0.128895  0.784129  0.975435  1
  P  P7  1  0.628895  0.284129  0.975435  1
  P  P8  1  0.628895  0.784129  0.975435  1
  P  P9  1  0.020499  0.066427  0.360526  1
  P  P10  1  0.016904  0.550258  0.354910  1
  P  P11  1  0.516348  0.050611  0.354747  1
  P  P12  1  0.516358  0.551609  0.354838  1
  P  P13  1  0.269524  0.409363  0.528443  1
  P  P14  1  0.269370  0.909166  0.528376  1
  P  P15  1  0.769696  0.408805  0.528138  1
  P  P16  1  0.769526  0.908773  0.528261  1
  P  P17  1  0.019605  0.159488  0.528965  1
  P  P18  1  0.019669  0.659275  0.528503  1
  P  P19  1  0.519942  0.159148  0.528911  1
  P  P20  1  0.519712  0.659062  0.528851  1
  P  P21  1  0.401633  0.323895  0.966969  1
  P  P22  1  0.401633  0.823895  0.966969  1
  P  P23  1  0.901633  0.323895  0.966969  1
  P  P24  1  0.901633  0.823895  0.966969  1
  P  P25  1  0.262811  0.042602  0.589019  1
  P  P26  1  0.262831  0.542838  0.589117  1
  P  P27  1  0.762889  0.042534  0.589015  1
  P  P28  1  0.763066  0.542436  0.588891  1
  P  P29  1  0.268080  0.302618  0.354314  1
  P  P30  1  0.266391  0.803701  0.354507  1
  P  P31  1  0.768497  0.304304  0.354424  1
  P  P32  1  0.766716  0.799796  0.354146  1
  P  P33  1  0.240711  0.332218  0.598623  1
  P  P34  1  0.240551  0.831801  0.598347  1
  P  P35  1  0.740628  0.331624  0.598169  1
  P  P36  1  0.740649  0.831767  0.598347  1
  P  P37  1  0.115042  0.457949  0.598395  1
  P  P38  1  0.115072  0.957845  0.598243  1
  P  P39  1  0.615347  0.457808  0.598532  1
  P  P40  1  0.615178  0.957679  0.598454  1
  P  P41  1  0.373071  0.074369  0.537527  1
  P  P42  1  0.372793  0.574323  0.537358  1
  P  P43  1  0.872515  0.073924  0.537323  1
  P  P44  1  0.872809  0.573869  0.536872  1
  P  P45  1  0.387288  0.059773  0.090189  1
  P  P46  1  0.387288  0.559773  0.090189  1
  P  P47  1  0.887288  0.059773  0.090189  1
  P  P48  1  0.887288  0.559773  0.090189  1
  P  P49  1  0.145245  0.045054  0.854407  1
  P  P50  1  0.145245  0.545054  0.854407  1
  P  P51  1  0.645245  0.045054  0.854407  1
  P  P52  1  0.645245  0.545054  0.854407  1
  P  P53  1  0.506723  0.051122  0.149579  1
  P  P54  1  0.506723  0.551122  0.149579  1
  P  P55  1  1.006723  0.051122  0.149579  1
  P  P56  1  1.006723  0.551122  0.149579  1
  P  P57  1  0.390919  0.302022  0.854111  1
  P  P58  1  0.390919  0.802022  0.854111  1
  P  P59  1  0.890919  0.302022  0.854111  1
  P  P60  1  0.890919  0.802022  0.854111  1
  P  P61  1  0.232343  0.466955  0.657635  1
  P  P62  1  0.232844  0.965943  0.657479  1
  P  P63  1  0.733964  0.465356  0.657428  1
  P  P64  1  0.732905  0.966249  0.657512  1
  P  P65  1  0.122111  0.324092  0.537533  1
  P  P66  1  0.122069  0.823554  0.537296  1
  P  P67  1  0.622190  0.323593  0.537341  1
  P  P68  1  0.622146  0.823464  0.537380  1
  P  P69  1  0.408631  0.018116  0.406011  1
  P  P70  1  0.407956  0.518553  0.405853  1
  P  P71  1  0.907040  0.019651  0.405936  1
  P  P72  1  0.908269  0.515446  0.405300  1
  P  P73  1  0.503917  0.159391  0.975505  1
  P  P74  1  0.503917  0.659391  0.975505  1
  P  P75  1  1.003917  0.159391  0.975505  1
  P  P76  1  1.003917  0.659391  0.975505  1
  P  P77  1  0.019677  0.316684  0.028871  1
  P  P78  1  0.019677  0.816684  0.028871  1
  P  P79  1  0.519677  0.316684  0.028871  1
  P  P80  1  0.519677  0.816684  0.028871  1
  P  P81  1  0.136306  0.416303  0.914186  1
  P  P82  1  0.136306  0.916303  0.914186  1
  P  P83  1  0.636306  0.416303  0.914186  1
  P  P84  1  0.636306  0.916303  0.914186  1
  P  P85  1  0.026400  0.449048  0.966931  1
  P  P86  1  0.026400  0.949048  0.966931  1
  P  P87  1  0.526400  0.449048  0.966931  1
  P  P88  1  0.526400  0.949048  0.966931  1
  P  P89  1  0.137299  0.062718  0.416269  1
  P  P90  1  0.136199  0.560041  0.414083  1
  P  P91  1  0.635784  0.059290  0.414002  1
  P  P92  1  0.636612  0.559069  0.414073  1
  P  P93  1  0.137788  0.166335  0.590665  1
  P  P94  1  0.137724  0.666300  0.590644  1
  P  P95  1  0.637954  0.166101  0.590673  1
  P  P96  1  0.637888  0.666053  0.590582  1
  P  P97  1  0.145122  0.430553  0.354464  1
  P  P98  1  0.144617  0.936737  0.355672  1
  P  P99  1  0.644375  0.430616  0.354329  1
  P  P100  1  0.644129  0.929296  0.354349  1
  P  P101  1  1.010278  0.684353  0.413840  1
  P  P102  1  0.510583  0.184359  0.413976  1
  P  P103  1  0.510514  0.684051  0.414031  1
  P  P104  1  0.378349  0.431021  0.149968  1
  P  P105  1  0.378349  0.931021  0.149968  1
  P  P106  1  0.878349  0.431021  0.149968  1
  P  P107  1  0.878349  0.931021  0.149968  1
  P  P108  1  0.391071  0.174466  0.354178  1
  P  P109  1  0.390141  0.674955  0.354203  1
  P  P110  1  0.886852  0.171887  0.352656  1
  P  P111  1  0.890979  0.673541  0.354216  1
  P  P112  1  0.247090  0.276284  0.037234  1
  P  P113  1  0.247090  0.776284  0.037234  1
  P  P114  1  0.747090  0.276284  0.037234  1
  P  P115  1  0.747090  0.776284  0.037234  1
  P  P116  1  0.240415  0.144009  0.098391  1
  P  P117  1  0.240415  0.644009  0.098391  1
  P  P118  1  0.740415  0.144009  0.098391  1
  P  P119  1  0.740415  0.644009  0.098391  1
  P  P120  1  0.394916  0.284045  0.529024  1
  P  P121  1  0.394666  0.783957  0.528955  1
  P  P122  1  0.894788  0.284024  0.528882  1
  P  P123  1  0.894926  0.783873  0.528636  1
  P  P124  1  0.025642  0.029894  0.466112  1
  P  P125  1  0.026238  0.526277  0.466606  1
  P  P126  1  0.526516  0.026770  0.466959  1
  P  P127  1  0.526257  0.526943  0.466893  1
  P  P128  1  0.132675  0.174054  0.150264  1
  P  P129  1  0.132675  0.674054  0.150264  1
  P  P130  1  0.632675  0.174054  0.150264  1
  P  P131  1  0.632675  0.674054  0.150264  1
  P  P132  1  1.010702  0.291716  0.913972  1
  P  P133  1  1.010702  0.791716  0.913972  1
  P  P134  1  0.510702  0.291716  0.913972  1
  P  P135  1  0.510702  0.791716  0.913972  1
  P  P136  1  0.387462  0.416125  0.590182  1
  P  P137  1  0.387440  0.915979  0.590194  1
  P  P138  1  0.887515  0.416190  0.590107  1
  P  P139  1  0.887512  0.915881  0.589968  1
  P  P140  1  0.365693  0.206696  0.599256  1
  P  P141  1  0.365552  0.706523  0.599093  1
  P  P142  1  0.865520  0.206495  0.598935  1
  P  P143  1  0.865491  0.706430  0.598709  1
  P  P144  1  0.159194  0.269909  0.405512  1
  P  P145  1  0.157356  0.770573  0.405300  1
  P  P146  1  0.657586  0.269524  0.405152  1
  P  P147  1  0.657933  0.768288  0.405408  1
  P  P148  1  0.497462  0.448852  0.537512  1
  P  P149  1  0.497452  0.948738  0.537497  1
  P  P150  1  0.997290  0.448415  0.537070  1
  P  P151  1  0.997437  0.949305  0.536906  1
  P  P152  1  0.497195  0.027027  0.037444  1
  P  P153  1  0.497195  0.527027  0.037444  1
  P  P154  1  0.997195  0.027027  0.037444  1
  P  P155  1  0.997195  0.527027  0.037444  1
  P  P156  1  0.034350  0.082204  0.905563  1
  P  P157  1  0.034350  0.582204  0.905563  1
  P  P158  1  0.534350  0.082204  0.905563  1
  P  P159  1  0.534350  0.582204  0.905563  1
  P  P160  1  0.276761  0.276558  0.467265  1
  P  P161  1  0.276007  0.776717  0.467147  1
  P  P162  1  0.776401  0.276043  0.466825  1
  P  P163  1  0.776657  0.775851  0.467105  1
  P  P164  1  0.254132  0.409238  0.976019  1
  P  P165  1  0.254132  0.909238  0.976019  1
  P  P166  1  0.754132  0.409238  0.976019  1
  P  P167  1  0.754132  0.909238  0.976019  1
  P  P168  1  0.291083  0.010167  0.346913  1
  P  P169  1  0.289945  0.510665  0.346799  1
  P  P170  1  0.788962  0.007339  0.346716  1
  P  P171  1  0.787755  0.513176  0.346476  1
  P  P172  1  0.034943  0.393032  0.405751  1
  P  P173  1  0.033502  0.895276  0.405326  1
  P  P174  1  0.533696  0.394163  0.405537  1
  P  P175  1  0.533998  0.893352  0.405604  1
  P  P176  1  0.269462  0.066838  0.028356  1
  P  P177  1  0.269462  0.566838  0.028356  1
  P  P178  1  0.769462  0.066838  0.028356  1
  P  P179  1  0.769462  0.566838  0.028356  1
  P  P180  1  0.365337  0.269273  0.099038  1
  P  P181  1  0.365337  0.769273  0.099038  1
  P  P182  1  0.865337  0.269273  0.099038  1
  P  P183  1  0.865337  0.769273  0.099038  1
  P  P184  1  0.151010  0.074466  0.967092  1
  P  P185  1  0.151010  0.574466  0.967092  1
  P  P186  1  0.651010  0.074466  0.967092  1
  P  P187  1  0.651010  0.574466  0.967092  1
  P  P188  1  0.129904  0.193461  0.476169  1
  P  P189  1  0.128707  0.691856  0.475273  1
  P  P190  1  0.628931  0.191691  0.475309  1
  P  P191  1  0.629059  0.691242  0.475431  1
  P  P192  1  0.255858  0.302096  0.150131  1
  P  P193  1  0.255858  0.802096  0.150131  1
  P  P194  1  0.755858  0.302096  0.150131  1
  P  P195  1  0.755858  0.802096  0.150131  1
  P  P196  1  0.394700  0.191946  0.028940  1
  P  P197  1  0.394700  0.691946  0.028940  1
  P  P198  1  0.894700  0.191946  0.028940  1
  P  P199  1  0.894700  0.691946  0.028940  1
  P  P200  1  0.260815  0.042865  0.915294  1
  P  P201  1  0.260815  0.542865  0.915294  1
  P  P202  1  0.760815  0.042865  0.915294  1
  P  P203  1  0.760815  0.542865  0.915294  1
  P  P204  1  0.260887  0.433741  0.415358  1
  P  P205  1  0.260755  0.934132  0.415670  1
  P  P206  1  0.761761  0.432177  0.415134  1
  P  P207  1  0.760135  0.932433  0.415209  1
  P  P208  1  0.016872  0.424954  0.854796  1
  P  P209  1  0.016872  0.924954  0.854796  1
  P  P210  1  0.516872  0.424954  0.854796  1
  P  P211  1  0.516872  0.924954  0.854796  1
  P  P212  1  0.255866  0.173511  0.650096  1
  P  P213  1  0.256029  0.674174  0.650151  1
  P  P214  1  0.756194  0.173909  0.650075  1
  P  P215  1  0.756029  0.673356  0.649939  1
  P  P216  1  0.504084  0.316593  0.475568  1
  P  P217  1  0.504011  0.816258  0.475553  1
  P  P218  1  1.004166  0.315015  0.475146  1
  P  P219  1  1.003938  0.817449  0.475157  1
  P  P220  1  0.290624  0.466266  0.846808  1
  P  P221  1  0.290624  0.966266  0.846808  1
  P  P222  1  0.790624  0.466266  0.846808  1
  P  P223  1  0.790624  0.966266  0.846808  1
  P  P224  1  0.385905  0.166423  0.913671  1
  P  P225  1  0.385905  0.666423  0.913671  1
  P  P226  1  0.885905  0.166423  0.913671  1
  P  P227  1  0.885905  0.666423  0.913671  1
  P  P228  1  0.262779  0.433211  0.089081  1
  P  P229  1  0.262779  0.933211  0.089081  1
  P  P230  1  0.762779  0.433211  0.089081  1
  P  P231  1  0.762779  0.933211  0.089081  1
  P  P232  1  0.158258  0.206802  0.905337  1
  P  P233  1  0.158258  0.706802  0.905337  1
  P  P234  1  0.658258  0.206802  0.905337  1
  P  P235  1  0.658258  0.706802  0.905337  1
  P  P236  1  0.512892  0.184359  0.090403  1
  P  P237  1  0.512892  0.684359  0.090403  1
  P  P238  1  0.012892  0.184359  0.090403  1
  P  P239  1  0.012892  0.684359  0.090403  1
  P  P240  1  0.115010  0.018015  0.098496  1
  P  P241  1  0.115010  0.518015  0.098496  1
  P  P242  1  0.615010  0.018015  0.098496  1
  P  P243  1  0.615010  0.518015  0.098496  1
  P  P244  1  0.513174  0.291467  0.590408  1
  P  P245  1  0.513044  0.791319  0.590376  1
  P  P246  1  0.012967  0.291653  0.590462  1
  P  P247  1  0.012990  0.791712  0.590078  1
  P  P248  1  0.132797  0.301918  0.650259  1
  P  P249  1  0.132600  0.801830  0.650113  1
  P  P250  1  0.632991  0.301813  0.650218  1
  P  P251  1  0.632923  0.801586  0.650183  1
  P  P252  1  0.379602  0.441500  0.476010  1
  P  P253  1  0.379728  0.941268  0.476063  1
  P  P254  1  0.879929  0.439974  0.475378  1
  P  P255  1  0.879383  0.941375  0.475708  1
  P  P256  1  0.372585  0.401609  0.037283  1
  P  P257  1  0.372585  0.901609  0.037283  1
  P  P258  1  0.872585  0.401609  0.037283  1
  P  P259  1  0.872585  0.901609  0.037283  1
  P  P260  1  0.232970  0.009809  0.157567  1
  P  P261  1  0.232970  0.509809  0.157567  1
  P  P262  1  0.732970  0.009809  0.157567  1
  P  P263  1  0.732970  0.509809  0.157567  1
  P  P264  1  0.267737  0.173979  0.854244  1
  P  P265  1  0.267737  0.673979  0.854244  1
  P  P266  1  0.767737  0.173979  0.854244  1
  P  P267  1  0.767737  0.673979  0.854244  1
  P  P268  1  0.283179  0.332066  0.905984  1
  P  P269  1  0.283179  0.832066  0.905984  1
  P  P270  1  0.783179  0.332066  0.905984  1
  P  P271  1  0.783179  0.832066  0.905984  1
  P  P272  1  0.379426  0.034660  0.975904  1
  P  P273  1  0.379426  0.534660  0.975904  1
  P  P274  1  0.879426  0.034660  0.975904  1
  P  P275  1  0.879426  0.534660  0.975904  1
  P  P276  1  0.151247  0.402230  0.467183  1
  P  P277  1  0.150227  0.902188  0.467134  1
  P  P278  1  0.650999  0.401424  0.466929  1
  P  P279  1  0.650876  0.901009  0.467053  1
  P  P280  1  0.408584  0.458060  0.905879  1
  P  P281  1  0.408584  0.958060  0.905879  1
  P  P282  1  0.908584  0.458060  0.905879  1
  P  P283  1  0.908584  0.958060  0.905879  1
  P  P284  1  0.489574  0.081964  0.598931  1
  P  P285  1  0.489485  0.581902  0.598892  1
  P  P286  1  0.989378  0.081763  0.598698  1
  P  P287  1  0.989350  0.581970  0.598407  1
  P  P288  1  0.121962  0.152180  0.037406  1
  P  P289  1  0.121962  0.652180  0.037406  1
  P  P290  1  0.621962  0.152180  0.037406  1
  P  P291  1  0.621962  0.652180  0.037406  1
  P  P292  1  0.137690  0.309653  0.090704  1
  P  P293  1  0.137690  0.809653  0.090704  1
  P  P294  1  0.637690  0.309653  0.090704  1
  P  P295  1  0.637690  0.809653  0.090704  1
  P  P296  1  0.385894  0.309866  0.413827  1
  P  P297  1  0.385557  0.809884  0.413737  1
  P  P298  1  0.888216  0.305051  0.413500  1
  P  P299  1  0.885667  0.810438  0.413362  1
  P  P300  1  0.143914  0.034920  0.528203  1
  P  P301  1  0.144126  0.534892  0.528424  1
  P  P302  1  0.644317  0.034316  0.528423  1
  P  P303  1  0.644311  0.534176  0.528397  1
  P  P304  1  0.401911  0.152179  0.467100  1
  P  P305  1  0.401305  0.652369  0.466964  1
  P  P306  1  0.900380  0.151748  0.467423  1
  P  P307  1  0.901920  0.651635  0.466561  1
  P  P308  1  0.489244  0.393871  0.098812  1
  P  P309  1  0.489244  0.893871  0.098812  1
  P  P310  1  0.989244  0.393871  0.098812  1
  P  P311  1  0.989244  0.893871  0.098812  1
  P  P312  1  0.255002  0.067295  0.476577  1
  P  P313  1  0.254266  0.567056  0.476050  1
  P  P314  1  0.753812  0.066240  0.475834  1
  P  P315  1  0.754448  0.566021  0.475910  1
  P  P316  1  0.144168  0.441416  0.028471  1
  P  P317  1  0.144168  0.941416  0.028471  1
  P  P318  1  0.644168  0.441416  0.028471  1
  P  P319  1  0.644168  0.941416  0.028471  1
  P  P320  1  0.283435  0.144273  0.406103  1
  P  P321  1  0.282451  0.644923  0.405967  1
  P  P322  1  0.781664  0.144003  0.405633  1
  P  P323  1  0.783629  0.643645  0.406271  1
  P  P324  1  0.378373  0.044522  0.649945  1
  P  P325  1  0.378239  0.544576  0.649972  1
  P  P326  1  0.878414  0.044529  0.649802  1
  P  P327  1  0.878859  0.545267  0.649824  1
  P  P328  1  0.506782  0.424523  0.649565  1
  P  P329  1  0.506908  0.924488  0.649563  1
  P  P330  1  1.007147  0.425356  0.649551  1
  P  P331  1  1.006806  0.924567  0.649437  1
  P  P332  1  0.247605  0.200085  0.537596  1
  P  P333  1  0.247224  0.699606  0.537222  1
  P  P334  1  0.747267  0.199381  0.537010  1
  P  P335  1  0.747291  0.699327  0.537118  1
