# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   54.83537981
_cell_length_b   57.84652098
_cell_length_c   50.65225150
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.29127260
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P864
_cell_volume   159986.105428
_cell_formula_units_Z   864
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  0.226981  0.100252  0.380826  1
  P  P2  1  0.099775  0.055677  0.297492  1
  P  P3  1  0.893648  0.766919  0.380826  1
  P  P4  1  0.854188  0.144827  0.464159  1
  P  P5  1  0.766442  0.722344  0.297492  1
  P  P6  1  0.726981  0.100252  0.380826  1
  P  P7  1  0.560315  0.433585  0.380826  1
  P  P8  1  0.520854  0.811493  0.464159  1
  P  P9  1  0.599775  0.055677  0.297492  1
  P  P10  1  0.433109  0.389010  0.297492  1
  P  P11  1  0.393648  0.766919  0.380826  1
  P  P12  1  0.354188  0.144827  0.464159  1
  P  P13  1  0.187521  0.478160  0.464159  1
  P  P14  1  0.266442  0.722344  0.297492  1
  P  P15  1  0.060315  0.433585  0.380826  1
  P  P16  1  0.020854  0.811493  0.464159  1
  P  P17  1  0.933109  0.389010  0.297492  1
  P  P18  1  0.687521  0.478160  0.464159  1
  P  P19  1  0.216946  0.016535  0.453507  1
  P  P20  1  0.089740  0.971960  0.370174  1
  P  P21  1  0.883612  0.683201  0.453507  1
  P  P22  1  0.962533  0.927385  0.286841  1
  P  P23  1  0.756406  0.638626  0.370174  1
  P  P24  1  0.716946  0.016535  0.453507  1
  P  P25  1  0.550279  0.349868  0.453507  1
  P  P26  1  0.629200  0.594051  0.286841  1
  P  P27  1  0.589740  0.971960  0.370174  1
  P  P28  1  0.423073  0.305293  0.370174  1
  P  P29  1  0.383612  0.683201  0.453507  1
  P  P30  1  0.462533  0.927385  0.286841  1
  P  P31  1  0.295867  0.260718  0.286841  1
  P  P32  1  0.256406  0.638626  0.370174  1
  P  P33  1  0.050279  0.349868  0.453507  1
  P  P34  1  0.129200  0.594051  0.286841  1
  P  P35  1  0.923073  0.305293  0.370174  1
  P  P36  1  0.795867  0.260718  0.286841  1
  P  P37  1  0.272133  0.135077  0.365698  1
  P  P38  1  0.144927  0.090502  0.282365  1
  P  P39  1  0.938799  0.801744  0.365698  1
  P  P40  1  0.899339  0.179652  0.449031  1
  P  P41  1  0.811593  0.757169  0.282365  1
  P  P42  1  0.772133  0.135077  0.365698  1
  P  P43  1  0.605466  0.468410  0.365698  1
  P  P44  1  0.566005  0.846319  0.449031  1
  P  P45  1  0.644927  0.090502  0.282365  1
  P  P46  1  0.478260  0.423835  0.282365  1
  P  P47  1  0.438799  0.801744  0.365698  1
  P  P48  1  0.399339  0.179652  0.449031  1
  P  P49  1  0.232672  0.512985  0.449031  1
  P  P50  1  0.311593  0.757169  0.282365  1
  P  P51  1  0.105466  0.468410  0.365698  1
  P  P52  1  0.066005  0.846319  0.449031  1
  P  P53  1  0.978260  0.423835  0.282365  1
  P  P54  1  0.732672  0.512985  0.449031  1
  P  P55  1  0.171794  0.981709  0.468635  1
  P  P56  1  0.044588  0.937135  0.385301  1
  P  P57  1  0.838461  0.648376  0.468635  1
  P  P58  1  0.917382  0.892560  0.301968  1
  P  P59  1  0.711255  0.603801  0.385301  1
  P  P60  1  0.671794  0.981709  0.468635  1
  P  P61  1  0.505128  0.315043  0.468635  1
  P  P62  1  0.584049  0.559226  0.301968  1
  P  P63  1  0.544588  0.937135  0.385301  1
  P  P64  1  0.377922  0.270468  0.385301  1
  P  P65  1  0.338461  0.648376  0.468635  1
  P  P66  1  0.417382  0.892560  0.301968  1
  P  P67  1  0.250716  0.225893  0.301968  1
  P  P68  1  0.211255  0.603801  0.385301  1
  P  P69  1  0.005128  0.315043  0.468635  1
  P  P70  1  0.084049  0.559226  0.301968  1
  P  P71  1  0.877922  0.270468  0.385301  1
  P  P72  1  0.750716  0.225893  0.301968  1
  P  P73  1  0.229287  0.152156  0.399498  1
  P  P74  1  0.102080  0.107581  0.316165  1
  P  P75  1  0.895953  0.818823  0.399498  1
  P  P76  1  0.856493  0.196731  0.482832  1
  P  P77  1  0.768747  0.774248  0.316165  1
  P  P78  1  0.729287  0.152156  0.399498  1
  P  P79  1  0.562620  0.485490  0.399498  1
  P  P80  1  0.523159  0.863398  0.482832  1
  P  P81  1  0.602080  0.107581  0.316165  1
  P  P82  1  0.435414  0.440915  0.316165  1
  P  P83  1  0.395953  0.818823  0.399498  1
  P  P84  1  0.356493  0.196731  0.482832  1
  P  P85  1  0.189826  0.530064  0.482832  1
  P  P86  1  0.268747  0.774248  0.316165  1
  P  P87  1  0.062620  0.485490  0.399498  1
  P  P88  1  0.023159  0.863398  0.482832  1
  P  P89  1  0.935414  0.440915  0.316165  1
  P  P90  1  0.689826  0.530064  0.482832  1
  P  P91  1  0.214641  0.964630  0.434834  1
  P  P92  1  0.087434  0.920055  0.351501  1
  P  P93  1  0.881307  0.631297  0.434834  1
  P  P94  1  0.960228  0.875480  0.268168  1
  P  P95  1  0.754101  0.586722  0.351501  1
  P  P96  1  0.714641  0.964630  0.434834  1
  P  P97  1  0.547974  0.297964  0.434834  1
  P  P98  1  0.626895  0.542147  0.268168  1
  P  P99  1  0.587434  0.920055  0.351501  1
  P  P100  1  0.420768  0.253389  0.351501  1
  P  P101  1  0.381307  0.631297  0.434834  1
  P  P102  1  0.460228  0.875480  0.268168  1
  P  P103  1  0.293562  0.208814  0.268168  1
  P  P104  1  0.254101  0.586722  0.351501  1
  P  P105  1  0.047974  0.297964  0.434834  1
  P  P106  1  0.126895  0.542147  0.268168  1
  P  P107  1  0.920768  0.253389  0.351501  1
  P  P108  1  0.793562  0.208814  0.268168  1
  P  P109  1  0.220903  0.139854  0.339623  1
  P  P110  1  0.093697  0.095279  0.256290  1
  P  P111  1  0.887570  0.806521  0.339623  1
  P  P112  1  0.848109  0.184429  0.422956  1
  P  P113  1  0.760364  0.761946  0.256290  1
  P  P114  1  0.720903  0.139854  0.339623  1
  P  P115  1  0.554237  0.473187  0.339623  1
  P  P116  1  0.514776  0.851096  0.422956  1
  P  P117  1  0.593697  0.095279  0.256290  1
  P  P118  1  0.427030  0.428613  0.256290  1
  P  P119  1  0.387570  0.806521  0.339623  1
  P  P120  1  0.348109  0.184429  0.422956  1
  P  P121  1  0.181443  0.517762  0.422956  1
  P  P122  1  0.260364  0.761946  0.256290  1
  P  P123  1  0.054237  0.473187  0.339623  1
  P  P124  1  0.014776  0.851096  0.422956  1
  P  P125  1  0.927030  0.428613  0.256290  1
  P  P126  1  0.681443  0.517762  0.422956  1
  P  P127  1  0.223024  0.976932  0.494710  1
  P  P128  1  0.095818  0.932358  0.411376  1
  P  P129  1  0.889691  0.643599  0.494710  1
  P  P130  1  0.968612  0.887783  0.328043  1
  P  P131  1  0.762484  0.599024  0.411376  1
  P  P132  1  0.723024  0.976932  0.494710  1
  P  P133  1  0.556357  0.310266  0.494710  1
  P  P134  1  0.635278  0.554449  0.328043  1
  P  P135  1  0.595818  0.932358  0.411376  1
  P  P136  1  0.429151  0.265691  0.411376  1
  P  P137  1  0.389691  0.643599  0.494710  1
  P  P138  1  0.468612  0.887783  0.328043  1
  P  P139  1  0.301945  0.221116  0.328043  1
  P  P140  1  0.262484  0.599024  0.411376  1
  P  P141  1  0.056357  0.310266  0.494710  1
  P  P142  1  0.135278  0.554449  0.328043  1
  P  P143  1  0.929151  0.265691  0.411376  1
  P  P144  1  0.801945  0.221116  0.328043  1
  P  P145  1  0.331156  0.998643  0.269550  1
  P  P146  1  0.084803  0.087665  0.436099  1
  P  P147  1  0.997823  0.665310  0.269550  1
  P  P148  1  0.957597  0.043090  0.352765  1
  P  P149  1  0.751470  0.754331  0.436099  1
  P  P150  1  0.831156  0.998643  0.269550  1
  P  P151  1  0.664490  0.331977  0.269550  1
  P  P152  1  0.624264  0.709757  0.352765  1
  P  P153  1  0.584803  0.087665  0.436099  1
  P  P154  1  0.418137  0.420998  0.436099  1
  P  P155  1  0.497823  0.665310  0.269550  1
  P  P156  1  0.457597  0.043090  0.352765  1
  P  P157  1  0.290930  0.376423  0.352765  1
  P  P158  1  0.251470  0.754331  0.436099  1
  P  P159  1  0.164490  0.331977  0.269550  1
  P  P160  1  0.124264  0.709757  0.352765  1
  P  P161  1  0.918137  0.420998  0.436099  1
  P  P162  1  0.790930  0.376423  0.352765  1
  P  P163  1  0.231918  0.984547  0.314901  1
  P  P164  1  0.986330  0.073697  0.481568  1
  P  P165  1  0.898584  0.651213  0.314901  1
  P  P166  1  0.859124  0.029122  0.398234  1
  P  P167  1  0.652997  0.740363  0.481568  1
  P  P168  1  0.731918  0.984547  0.314901  1
  P  P169  1  0.565251  0.317880  0.314901  1
  P  P170  1  0.525791  0.695788  0.398234  1
  P  P171  1  0.486330  0.073697  0.481568  1
  P  P172  1  0.319663  0.407030  0.481568  1
  P  P173  1  0.398584  0.651213  0.314901  1
  P  P174  1  0.359124  0.029122  0.398234  1
  P  P175  1  0.192457  0.362455  0.398234  1
  P  P176  1  0.152997  0.740363  0.481568  1
  P  P177  1  0.065251  0.317880  0.314901  1
  P  P178  1  0.025791  0.695788  0.398234  1
  P  P179  1  0.819663  0.407030  0.481568  1
  P  P180  1  0.692457  0.362455  0.398234  1
  P  P181  1  0.254740  0.109368  0.491213  1
  P  P182  1  0.127534  0.064793  0.407880  1
  P  P183  1  0.921407  0.776035  0.491213  1
  P  P184  1  1.000328  0.020219  0.324547  1
  P  P185  1  0.794200  0.731460  0.407880  1
  P  P186  1  0.754740  0.109368  0.491213  1
  P  P187  1  0.588073  0.442702  0.491213  1
  P  P188  1  0.666994  0.686885  0.324547  1
  P  P189  1  0.627534  0.064793  0.407880  1
  P  P190  1  0.460867  0.398127  0.407880  1
  P  P191  1  0.421407  0.776035  0.491213  1
  P  P192  1  0.500328  0.020219  0.324547  1
  P  P193  1  0.333661  0.353552  0.324547  1
  P  P194  1  0.294200  0.731460  0.407880  1
  P  P195  1  0.088073  0.442702  0.491213  1
  P  P196  1  0.166994  0.686885  0.324547  1
  P  P197  1  0.960867  0.398127  0.407880  1
  P  P198  1  0.833661  0.353552  0.324547  1
  P  P199  1  0.189187  0.007418  0.343119  1
  P  P200  1  0.062019  0.962745  0.259760  1
  P  P201  1  0.855854  0.674085  0.343119  1
  P  P202  1  0.816393  0.051993  0.426453  1
  P  P203  1  0.728685  0.629411  0.259760  1
  P  P204  1  0.689187  0.007418  0.343119  1
  P  P205  1  0.522521  0.340751  0.343119  1
  P  P206  1  0.483060  0.718660  0.426453  1
  P  P207  1  0.562019  0.962745  0.259760  1
  P  P208  1  0.395352  0.296078  0.259760  1
  P  P209  1  0.355854  0.674085  0.343119  1
  P  P210  1  0.316393  0.051993  0.426453  1
  P  P211  1  0.149727  0.385326  0.426453  1
  P  P212  1  0.228685  0.629411  0.259760  1
  P  P213  1  0.022521  0.340751  0.343119  1
  P  P214  1  0.983060  0.718660  0.426453  1
  P  P215  1  0.895352  0.296078  0.259760  1
  P  P216  1  0.649727  0.385326  0.426453  1
  P  P217  1  0.379127  0.027948  0.256550  1
  P  P218  1  0.133906  0.117679  0.422807  1
  P  P219  1  0.045794  0.694614  0.256550  1
  P  P220  1  0.006700  0.073104  0.339474  1
  P  P221  1  0.800573  0.784345  0.422807  1
  P  P222  1  0.879127  0.027948  0.256550  1
  P  P223  1  0.712461  0.361281  0.256550  1
  P  P224  1  0.673367  0.739770  0.339474  1
  P  P225  1  0.633906  0.117679  0.422807  1
  P  P226  1  0.467240  0.451012  0.422807  1
  P  P227  1  0.545794  0.694614  0.256550  1
  P  P228  1  0.506700  0.073104  0.339474  1
  P  P229  1  0.340034  0.406437  0.339474  1
  P  P230  1  0.300573  0.784345  0.422807  1
  P  P231  1  0.212461  0.361281  0.256550  1
  P  P232  1  0.173367  0.739770  0.339474  1
  P  P233  1  0.967240  0.451012  0.422807  1
  P  P234  1  0.840034  0.406437  0.339474  1
  P  P235  1  0.182815  0.954533  0.328193  1
  P  P236  1  0.937227  0.043683  0.494859  1
  P  P237  1  0.849481  0.621200  0.328193  1
  P  P238  1  0.810021  0.999108  0.411526  1
  P  P239  1  0.603894  0.710349  0.494859  1
  P  P240  1  0.682815  0.954533  0.328193  1
  P  P241  1  0.516148  0.287866  0.328193  1
  P  P242  1  0.476687  0.665774  0.411526  1
  P  P243  1  0.437227  0.043683  0.494859  1
  P  P244  1  0.270560  0.377016  0.494859  1
  P  P245  1  0.349481  0.621200  0.328193  1
  P  P246  1  0.310021  0.999108  0.411526  1
  P  P247  1  0.143354  0.332441  0.411526  1
  P  P248  1  0.103894  0.710349  0.494859  1
  P  P249  1  0.016148  0.287866  0.328193  1
  P  P250  1  0.976687  0.665774  0.411526  1
  P  P251  1  0.770560  0.377016  0.494859  1
  P  P252  1  0.643354  0.332441  0.411526  1
  P  P253  1  0.132811  0.079826  0.467311  1
  P  P254  1  0.005605  0.035251  0.383978  1
  P  P255  1  0.799478  0.746493  0.467311  1
  P  P256  1  0.878037  0.991031  0.300090  1
  P  P257  1  0.672272  0.701918  0.383978  1
  P  P258  1  0.632811  0.079826  0.467311  1
  P  P259  1  0.466144  0.413159  0.467311  1
  P  P260  1  0.544704  0.657697  0.300090  1
  P  P261  1  0.505605  0.035251  0.383978  1
  P  P262  1  0.338938  0.368584  0.383978  1
  P  P263  1  0.299478  0.746493  0.467311  1
  P  P264  1  0.378037  0.991031  0.300090  1
  P  P265  1  0.211371  0.324364  0.300090  1
  P  P266  1  0.172272  0.701918  0.383978  1
  P  P267  1  0.966144  0.413159  0.467311  1
  P  P268  1  0.044704  0.657697  0.300090  1
  P  P269  1  0.838938  0.368584  0.383978  1
  P  P270  1  0.711371  0.324364  0.300090  1
  P  P271  1  0.311116  0.036960  0.367022  1
  P  P272  1  0.183910  0.992386  0.283688  1
  P  P273  1  0.977783  0.703627  0.367022  1
  P  P274  1  0.938322  0.081535  0.450355  1
  P  P275  1  0.850577  0.659052  0.283688  1
  P  P276  1  0.811116  0.036960  0.367022  1
  P  P277  1  0.644449  0.370294  0.367022  1
  P  P278  1  0.604989  0.748202  0.450355  1
  P  P279  1  0.683910  0.992386  0.283688  1
  P  P280  1  0.517243  0.325719  0.283688  1
  P  P281  1  0.477783  0.703627  0.367022  1
  P  P282  1  0.438322  0.081535  0.450355  1
  P  P283  1  0.271656  0.414869  0.450355  1
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  P  P862  1  0.986272  0.756249  0.646919  1
  P  P863  1  0.778422  0.466484  0.730379  1
  P  P864  1  0.652938  0.422916  0.646919  1
