# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   64.89785397
_cell_length_b   58.09937416
_cell_length_c   59.58760016
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   115.95374664
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P864
_cell_volume   202017.360836
_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  0.146544  0.590538  0.386030  1
  P  P2  1  0.024429  0.564291  0.319363  1
  P  P3  1  0.768658  0.616784  0.452696  1
  P  P4  1  0.813211  0.257204  0.386030  1
  P  P5  1  0.646544  0.590538  0.386030  1
  P  P6  1  0.691096  0.230958  0.319363  1
  P  P7  1  0.524429  0.564291  0.319363  1
  P  P8  1  0.435325  0.283451  0.452696  1
  P  P9  1  0.479877  0.923871  0.386030  1
  P  P10  1  0.268658  0.616784  0.452696  1
  P  P11  1  0.313211  0.257204  0.386030  1
  P  P12  1  0.357763  0.897625  0.319363  1
  P  P13  1  0.191096  0.230958  0.319363  1
  P  P14  1  0.101992  0.950117  0.452696  1
  P  P15  1  0.935325  0.283451  0.452696  1
  P  P16  1  0.979877  0.923871  0.386030  1
  P  P17  1  0.857763  0.897625  0.319363  1
  P  P18  1  0.601992  0.950117  0.452696  1
  P  P19  1  0.196717  0.698171  0.347304  1
  P  P20  1  0.940946  0.750664  0.480637  1
  P  P21  1  0.818831  0.724418  0.413970  1
  P  P22  1  0.863383  0.364838  0.347304  1
  P  P23  1  0.696717  0.698171  0.347304  1
  P  P24  1  0.607612  0.417331  0.480637  1
  P  P25  1  0.440946  0.750664  0.480637  1
  P  P26  1  0.485498  0.391084  0.413970  1
  P  P27  1  0.530050  0.031505  0.347304  1
  P  P28  1  0.318831  0.724418  0.413970  1
  P  P29  1  0.363383  0.364838  0.347304  1
  P  P30  1  0.274279  0.083997  0.480637  1
  P  P31  1  0.107612  0.417331  0.480637  1
  P  P32  1  0.152165  0.057751  0.413970  1
  P  P33  1  0.985498  0.391084  0.413970  1
  P  P34  1  0.030050  0.031505  0.347304  1
  P  P35  1  0.774279  0.083997  0.480637  1
  P  P36  1  0.652165  0.057751  0.413970  1
  P  P37  1  0.156047  0.564440  0.428345  1
  P  P38  1  0.033932  0.538194  0.361678  1
  P  P39  1  0.778161  0.590687  0.495011  1
  P  P40  1  0.822714  0.231107  0.428345  1
  P  P41  1  0.656047  0.564440  0.428345  1
  P  P42  1  0.700599  0.204861  0.361678  1
  P  P43  1  0.533932  0.538194  0.361678  1
  P  P44  1  0.444828  0.257353  0.495011  1
  P  P45  1  0.489380  0.897774  0.428345  1
  P  P46  1  0.278161  0.590687  0.495011  1
  P  P47  1  0.322714  0.231107  0.428345  1
  P  P48  1  0.367266  0.871527  0.361678  1
  P  P49  1  0.200599  0.204861  0.361678  1
  P  P50  1  0.111495  0.924020  0.495011  1
  P  P51  1  0.944828  0.257353  0.495011  1
  P  P52  1  0.989380  0.897774  0.428345  1
  P  P53  1  0.867266  0.871527  0.361678  1
  P  P54  1  0.611495  0.924020  0.495011  1
  P  P55  1  0.187214  0.724269  0.304989  1
  P  P56  1  0.931443  0.776761  0.438322  1
  P  P57  1  0.809328  0.750515  0.371655  1
  P  P58  1  0.853880  0.390935  0.304989  1
  P  P59  1  0.687214  0.724269  0.304989  1
  P  P60  1  0.598109  0.443428  0.438322  1
  P  P61  1  0.431443  0.776761  0.438322  1
  P  P62  1  0.475995  0.417181  0.371655  1
  P  P63  1  0.520547  0.057602  0.304989  1
  P  P64  1  0.309328  0.750515  0.371655  1
  P  P65  1  0.353880  0.390935  0.304989  1
  P  P66  1  0.264776  0.110094  0.438322  1
  P  P67  1  0.098109  0.443428  0.438322  1
  P  P68  1  0.142662  0.083848  0.371655  1
  P  P69  1  0.975995  0.417181  0.371655  1
  P  P70  1  0.020547  0.057602  0.304989  1
  P  P71  1  0.764776  0.110094  0.438322  1
  P  P72  1  0.642662  0.083848  0.371655  1
  P  P73  1  0.161696  0.546467  0.380009  1
  P  P74  1  0.039581  0.520221  0.313342  1
  P  P75  1  0.783810  0.572713  0.446676  1
  P  P76  1  0.828362  0.213134  0.380009  1
  P  P77  1  0.661696  0.546467  0.380009  1
  P  P78  1  0.706248  0.186887  0.313342  1
  P  P79  1  0.539581  0.520221  0.313342  1
  P  P80  1  0.450477  0.239380  0.446676  1
  P  P81  1  0.495029  0.879800  0.380009  1
  P  P82  1  0.283810  0.572713  0.446676  1
  P  P83  1  0.328362  0.213134  0.380009  1
  P  P84  1  0.372915  0.853554  0.313342  1
  P  P85  1  0.206248  0.186887  0.313342  1
  P  P86  1  0.117144  0.906047  0.446676  1
  P  P87  1  0.950477  0.239380  0.446676  1
  P  P88  1  0.995029  0.879800  0.380009  1
  P  P89  1  0.872915  0.853554  0.313342  1
  P  P90  1  0.617144  0.906047  0.446676  1
  P  P91  1  0.181565  0.742242  0.353324  1
  P  P92  1  0.925794  0.794734  0.486658  1
  P  P93  1  0.803679  0.768488  0.419991  1
  P  P94  1  0.848231  0.408909  0.353324  1
  P  P95  1  0.681565  0.742242  0.353324  1
  P  P96  1  0.592461  0.461401  0.486658  1
  P  P97  1  0.425794  0.794734  0.486658  1
  P  P98  1  0.470346  0.435155  0.419991  1
  P  P99  1  0.514898  0.075575  0.353324  1
  P  P100  1  0.303679  0.768488  0.419991  1
  P  P101  1  0.348231  0.408909  0.353324  1
  P  P102  1  0.259127  0.128068  0.486658  1
  P  P103  1  0.092461  0.461401  0.486658  1
  P  P104  1  0.137013  0.101822  0.419991  1
  P  P105  1  0.970346  0.435155  0.419991  1
  P  P106  1  0.014898  0.075575  0.353324  1
  P  P107  1  0.759127  0.128068  0.486658  1
  P  P108  1  0.637013  0.101822  0.419991  1
  P  P109  1  0.112652  0.534011  0.398527  1
  P  P110  1  0.990538  0.507764  0.331861  1
  P  P111  1  0.734767  0.560257  0.465194  1
  P  P112  1  0.779319  0.200677  0.398527  1
  P  P113  1  0.612652  0.534011  0.398527  1
  P  P114  1  0.657205  0.174431  0.331861  1
  P  P115  1  0.490538  0.507764  0.331861  1
  P  P116  1  0.401434  0.226924  0.465194  1
  P  P117  1  0.445986  0.867344  0.398527  1
  P  P118  1  0.234767  0.560257  0.465194  1
  P  P119  1  0.279319  0.200677  0.398527  1
  P  P120  1  0.323871  0.841098  0.331861  1
  P  P121  1  0.157205  0.174431  0.331861  1
  P  P122  1  0.068100  0.893590  0.465194  1
  P  P123  1  0.901434  0.226924  0.465194  1
  P  P124  1  0.945986  0.867344  0.398527  1
  P  P125  1  0.823871  0.841098  0.331861  1
  P  P126  1  0.568100  0.893590  0.465194  1
  P  P127  1  0.230608  0.754698  0.334806  1
  P  P128  1  0.974837  0.807191  0.468139  1
  P  P129  1  0.852723  0.780945  0.401473  1
  P  P130  1  0.897275  0.421365  0.334806  1
  P  P131  1  0.730608  0.754698  0.334806  1
  P  P132  1  0.641504  0.473857  0.468139  1
  P  P133  1  0.474837  0.807191  0.468139  1
  P  P134  1  0.519389  0.447611  0.401473  1
  P  P135  1  0.563941  0.088032  0.334806  1
  P  P136  1  0.352723  0.780945  0.401473  1
  P  P137  1  0.397275  0.421365  0.334806  1
  P  P138  1  0.308171  0.140524  0.468139  1
  P  P139  1  0.141504  0.473857  0.468139  1
  P  P140  1  0.186056  0.114278  0.401473  1
  P  P141  1  0.019389  0.447611  0.401473  1
  P  P142  1  0.063941  0.088032  0.334806  1
  P  P143  1  0.808171  0.140524  0.468139  1
  P  P144  1  0.686056  0.114278  0.401473  1
  P  P145  1  0.244283  0.605169  0.315765  1
  P  P146  1  0.988512  0.657661  0.449099  1
  P  P147  1  0.866397  0.631415  0.382432  1
  P  P148  1  0.910950  0.271836  0.315765  1
  P  P149  1  0.744283  0.605169  0.315765  1
  P  P150  1  0.655179  0.324328  0.449099  1
  P  P151  1  0.488512  0.657661  0.449099  1
  P  P152  1  0.533064  0.298082  0.382432  1
  P  P153  1  0.577616  0.938502  0.315765  1
  P  P154  1  0.366397  0.631415  0.382432  1
  P  P155  1  0.410950  0.271836  0.315765  1
  P  P156  1  0.321845  0.990995  0.449099  1
  P  P157  1  0.155179  0.324328  0.449099  1
  P  P158  1  0.199731  0.964749  0.382432  1
  P  P159  1  0.033064  0.298082  0.382432  1
  P  P160  1  0.077616  0.938502  0.315765  1
  P  P161  1  0.821845  0.990995  0.449099  1
  P  P162  1  0.699731  0.964749  0.382432  1
  P  P163  1  0.098978  0.683540  0.417568  1
  P  P164  1  0.976863  0.657294  0.350901  1
  P  P165  1  0.721092  0.709786  0.484235  1
  P  P166  1  0.765644  0.350207  0.417568  1
  P  P167  1  0.598978  0.683540  0.417568  1
  P  P168  1  0.643530  0.323960  0.350901  1
  P  P169  1  0.476863  0.657294  0.350901  1
  P  P170  1  0.387759  0.376453  0.484235  1
  P  P171  1  0.432311  0.016873  0.417568  1
  P  P172  1  0.221092  0.709786  0.484235  1
  P  P173  1  0.265644  0.350207  0.417568  1
  P  P174  1  0.310196  0.990627  0.350901  1
  P  P175  1  0.143530  0.323960  0.350901  1
  P  P176  1  0.054426  0.043120  0.484235  1
  P  P177  1  0.887759  0.376453  0.484235  1
  P  P178  1  0.932311  0.016873  0.417568  1
  P  P179  1  0.810196  0.990627  0.350901  1
  P  P180  1  0.554426  0.043120  0.484235  1
  P  P181  1  0.242790  0.630931  0.361660  1
  P  P182  1  0.987020  0.683424  0.494993  1
  P  P183  1  0.864905  0.657177  0.428327  1
  P  P184  1  0.909457  0.297598  0.361660  1
  P  P185  1  0.742790  0.630931  0.361660  1
  P  P186  1  0.653686  0.350090  0.494993  1
  P  P187  1  0.487020  0.683424  0.494993  1
  P  P188  1  0.531572  0.323844  0.428327  1
  P  P189  1  0.576124  0.964264  0.361660  1
  P  P190  1  0.364905  0.657177  0.428327  1
  P  P191  1  0.409457  0.297598  0.361660  1
  P  P192  1  0.320353  0.016757  0.494993  1
  P  P193  1  0.153686  0.350090  0.494993  1
  P  P194  1  0.198238  0.990511  0.428327  1
  P  P195  1  0.031572  0.323844  0.428327  1
  P  P196  1  0.076124  0.964264  0.361660  1
  P  P197  1  0.820353  0.016757  0.494993  1
  P  P198  1  0.698238  0.990511  0.428327  1
  P  P199  1  0.100470  0.657778  0.371673  1
  P  P200  1  0.978356  0.631532  0.305007  1
  P  P201  1  0.722585  0.684024  0.438340  1
  P  P202  1  0.767137  0.324445  0.371673  1
  P  P203  1  0.600470  0.657778  0.371673  1
  P  P204  1  0.645022  0.298198  0.305007  1
  P  P205  1  0.478356  0.631532  0.305007  1
  P  P206  1  0.389251  0.350691  0.438340  1
  P  P207  1  0.433803  0.991111  0.371673  1
  P  P208  1  0.222585  0.684024  0.438340  1
  P  P209  1  0.267137  0.324445  0.371673  1
  P  P210  1  0.311689  0.964865  0.305007  1
  P  P211  1  0.145022  0.298198  0.305007  1
  P  P212  1  0.055918  0.017357  0.438340  1
  P  P213  1  0.889251  0.350691  0.438340  1
  P  P214  1  0.933803  0.991111  0.371673  1
  P  P215  1  0.811689  0.964865  0.305007  1
  P  P216  1  0.555918  0.017357  0.438340  1
  P  P217  1  0.257001  0.585778  0.360454  1
  P  P218  1  0.001230  0.638270  0.493787  1
  P  P219  1  0.879115  0.612024  0.427121  1
  P  P220  1  0.923668  0.252444  0.360454  1
  P  P221  1  0.757001  0.585778  0.360454  1
  P  P222  1  0.667897  0.304937  0.493787  1
  P  P223  1  0.501230  0.638270  0.493787  1
  P  P224  1  0.545782  0.278691  0.427121  1
  P  P225  1  0.590334  0.919111  0.360454  1
  P  P226  1  0.379115  0.612024  0.427121  1
  P  P227  1  0.423668  0.252444  0.360454  1
  P  P228  1  0.334563  0.971603  0.493787  1
  P  P229  1  0.167897  0.304937  0.493787  1
  P  P230  1  0.212449  0.945357  0.427121  1
  P  P231  1  0.045782  0.278691  0.427121  1
  P  P232  1  0.090334  0.919111  0.360454  1
  P  P233  1  0.834563  0.971603  0.493787  1
  P  P234  1  0.712449  0.945357  0.427121  1
  P  P235  1  0.086260  0.702931  0.372879  1
  P  P236  1  0.964145  0.676685  0.306213  1
  P  P237  1  0.708374  0.729178  0.439546  1
  P  P238  1  0.752926  0.369598  0.372879  1
  P  P239  1  0.586260  0.702931  0.372879  1
  P  P240  1  0.630812  0.343352  0.306213  1
  P  P241  1  0.464145  0.676685  0.306213  1
  P  P242  1  0.375041  0.395844  0.439546  1
  P  P243  1  0.419593  0.036265  0.372879  1
  P  P244  1  0.208374  0.729178  0.439546  1
  P  P245  1  0.252926  0.369598  0.372879  1
  P  P246  1  0.297478  0.010018  0.306213  1
  P  P247  1  0.130812  0.343352  0.306213  1
  P  P248  1  0.041708  0.062511  0.439546  1
  P  P249  1  0.875041  0.395844  0.439546  1
  P  P250  1  0.919593  0.036265  0.372879  1
  P  P251  1  0.797478  0.010018  0.306213  1
  P  P252  1  0.541708  0.062511  0.439546  1
  P  P253  1  0.034289  0.692024  0.474189  1
  P  P254  1  0.912174  0.665778  0.407523  1
  P  P255  1  0.790060  0.639531  0.340856  1
  P  P256  1  0.700956  0.358690  0.474189  1
  P  P257  1  0.534289  0.692024  0.474189  1
  P  P258  1  0.578841  0.332444  0.407523  1
  P  P259  1  0.412174  0.665778  0.407523  1
  P  P260  1  0.456727  0.306198  0.340856  1
  P  P261  1  0.367622  0.025357  0.474189  1
  P  P262  1  0.290060  0.639531  0.340856  1
  P  P263  1  0.200956  0.358690  0.474189  1
  P  P264  1  0.245508  0.999111  0.407523  1
  P  P265  1  0.078841  0.332444  0.407523  1
  P  P266  1  0.123393  0.972865  0.340856  1
  P  P267  1  0.956727  0.306198  0.340856  1
  P  P268  1  0.867622  0.025357  0.474189  1
  P  P269  1  0.745508  0.999111  0.407523  1
  P  P270  1  0.623393  0.972865  0.340856  1
  P  P271  1  0.175315  0.675424  0.459144  1
  P  P272  1  0.053201  0.649178  0.392477  1
  P  P273  1  0.931086  0.622931  0.325811  1
  P  P274  1  0.841982  0.342091  0.459144  1
  P  P275  1  0.675315  0.675424  0.459144  1
  P  P276  1  0.719867  0.315844  0.392477  1
  P  P277  1  0.553201  0.649178  0.392477  1
  P  P278  1  0.597753  0.289598  0.325811  1
  P  P279  1  0.508649  0.008757  0.459144  1
  P  P280  1  0.431086  0.622931  0.325811  1
  P  P281  1  0.341982  0.342091  0.459144  1
  P  P282  1  0.386534  0.982511  0.392477  1
  P  P283  1  0.219867  0.315844  0.392477  1
  P  P284  1  0.264419  0.956265  0.325811  1
  P  P285  1  0.097753  0.289598  0.325811  1
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