# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   63.68882140
_cell_length_b   57.43186456
_cell_length_c   60.83561672
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.29998861
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P864
_cell_volume   199488.473094
_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  0.357213  0.351834  0.392019  1
  P  P2  1  0.479631  0.446225  0.325229  1
  P  P3  1  0.734327  0.756682  0.458686  1
  P  P4  1  0.690547  0.351834  0.392019  1
  P  P5  1  0.857213  0.851834  0.392019  1
  P  P6  1  0.812964  0.446225  0.325229  1
  P  P7  1  0.979631  0.946225  0.325229  1
  P  P8  1  0.067660  0.756682  0.458686  1
  P  P9  1  0.023880  0.351834  0.392019  1
  P  P10  1  0.234327  0.256682  0.458686  1
  P  P11  1  0.190547  0.851834  0.392019  1
  P  P12  1  0.146297  0.446225  0.325229  1
  P  P13  1  0.312964  0.946225  0.325229  1
  P  P14  1  0.400993  0.756682  0.458686  1
  P  P15  1  0.567660  0.256682  0.458686  1
  P  P16  1  0.523880  0.851834  0.392019  1
  P  P17  1  0.646297  0.946225  0.325229  1
  P  P18  1  0.900993  0.256682  0.458686  1
  P  P19  1  0.387205  0.417344  0.474981  1
  P  P20  1  0.510091  0.512496  0.408314  1
  P  P21  1  0.632977  0.607647  0.341648  1
  P  P22  1  0.720538  0.417344  0.474981  1
  P  P23  1  0.887205  0.917344  0.474981  1
  P  P24  1  0.843424  0.512496  0.408314  1
  P  P25  1  0.010091  0.012496  0.408314  1
  P  P26  1  0.966311  0.607647  0.341648  1
  P  P27  1  0.053871  0.417344  0.474981  1
  P  P28  1  0.132977  0.107647  0.341648  1
  P  P29  1  0.220538  0.917344  0.474981  1
  P  P30  1  0.176758  0.512496  0.408314  1
  P  P31  1  0.343424  0.012496  0.408314  1
  P  P32  1  0.299644  0.607647  0.341648  1
  P  P33  1  0.466311  0.107647  0.341648  1
  P  P34  1  0.553871  0.917344  0.474981  1
  P  P35  1  0.676758  0.012496  0.408314  1
  P  P36  1  0.799644  0.107647  0.341648  1
  P  P37  1  0.307786  0.312112  0.374739  1
  P  P38  1  0.431382  0.407436  0.308264  1
  P  P39  1  0.684899  0.716961  0.441406  1
  P  P40  1  0.641119  0.312112  0.374739  1
  P  P41  1  0.807786  0.812112  0.374739  1
  P  P42  1  0.764716  0.407436  0.308264  1
  P  P43  1  0.931382  0.907436  0.308264  1
  P  P44  1  0.018233  0.716961  0.441406  1
  P  P45  1  0.974452  0.312112  0.374739  1
  P  P46  1  0.184899  0.216961  0.441406  1
  P  P47  1  0.141119  0.812112  0.374739  1
  P  P48  1  0.098049  0.407436  0.308264  1
  P  P49  1  0.264716  0.907436  0.308264  1
  P  P50  1  0.351566  0.716961  0.441406  1
  P  P51  1  0.518233  0.216961  0.441406  1
  P  P52  1  0.474452  0.812112  0.374739  1
  P  P53  1  0.598049  0.907436  0.308264  1
  P  P54  1  0.851566  0.216961  0.441406  1
  P  P55  1  0.436632  0.457066  0.492261  1
  P  P56  1  0.559519  0.552218  0.425595  1
  P  P57  1  0.682405  0.647369  0.358928  1
  P  P58  1  0.769966  0.457066  0.492261  1
  P  P59  1  0.936632  0.957066  0.492261  1
  P  P60  1  0.892852  0.552218  0.425595  1
  P  P61  1  0.059519  0.052218  0.425595  1
  P  P62  1  0.015738  0.647369  0.358928  1
  P  P63  1  0.103299  0.457066  0.492261  1
  P  P64  1  0.182405  0.147369  0.358928  1
  P  P65  1  0.269966  0.957066  0.492261  1
  P  P66  1  0.226185  0.552218  0.425595  1
  P  P67  1  0.392852  0.052218  0.425595  1
  P  P68  1  0.349072  0.647369  0.358928  1
  P  P69  1  0.515738  0.147369  0.358928  1
  P  P70  1  0.603299  0.957066  0.492261  1
  P  P71  1  0.726185  0.052218  0.425595  1
  P  P72  1  0.849072  0.147369  0.358928  1
  P  P73  1  0.344386  0.292442  0.389551  1
  P  P74  1  0.467105  0.388210  0.322806  1
  P  P75  1  0.721500  0.697290  0.456218  1
  P  P76  1  0.677719  0.292442  0.389551  1
  P  P77  1  0.844386  0.792442  0.389551  1
  P  P78  1  0.800439  0.388210  0.322806  1
  P  P79  1  0.967105  0.888210  0.322806  1
  P  P80  1  0.054833  0.697290  0.456218  1
  P  P81  1  0.011053  0.292442  0.389551  1
  P  P82  1  0.221500  0.197290  0.456218  1
  P  P83  1  0.177719  0.792442  0.389551  1
  P  P84  1  0.133772  0.388210  0.322806  1
  P  P85  1  0.300439  0.888210  0.322806  1
  P  P86  1  0.388166  0.697290  0.456218  1
  P  P87  1  0.554833  0.197290  0.456218  1
  P  P88  1  0.511053  0.792442  0.389551  1
  P  P89  1  0.633772  0.888210  0.322806  1
  P  P90  1  0.888166  0.197290  0.456218  1
  P  P91  1  0.400032  0.476736  0.477449  1
  P  P92  1  0.522918  0.571888  0.410783  1
  P  P93  1  0.645805  0.667039  0.344116  1
  P  P94  1  0.733365  0.476736  0.477449  1
  P  P95  1  0.900032  0.976736  0.477449  1
  P  P96  1  0.856252  0.571888  0.410783  1
  P  P97  1  0.022918  0.071888  0.410783  1
  P  P98  1  0.979138  0.667039  0.344116  1
  P  P99  1  0.066698  0.476736  0.477449  1
  P  P100  1  0.145805  0.167039  0.344116  1
  P  P101  1  0.233365  0.976736  0.477449  1
  P  P102  1  0.189585  0.571888  0.410783  1
  P  P103  1  0.356252  0.071888  0.410783  1
  P  P104  1  0.312471  0.667039  0.344116  1
  P  P105  1  0.479138  0.167039  0.344116  1
  P  P106  1  0.566698  0.976736  0.477449  1
  P  P107  1  0.689585  0.071888  0.410783  1
  P  P108  1  0.812471  0.167039  0.344116  1
  P  P109  1  0.352621  0.324926  0.346164  1
  P  P110  1  0.606848  0.634622  0.479497  1
  P  P111  1  0.729735  0.729774  0.412830  1
  P  P112  1  0.685955  0.324926  0.346164  1
  P  P113  1  0.852621  0.824926  0.346164  1
  P  P114  1  0.940182  0.634622  0.479497  1
  P  P115  1  0.106848  0.134622  0.479497  1
  P  P116  1  0.063068  0.729774  0.412830  1
  P  P117  1  0.019288  0.324926  0.346164  1
  P  P118  1  0.229735  0.229774  0.412830  1
  P  P119  1  0.185955  0.824926  0.346164  1
  P  P120  1  0.273515  0.634622  0.479497  1
  P  P121  1  0.440182  0.134622  0.479497  1
  P  P122  1  0.396401  0.729774  0.412830  1
  P  P123  1  0.563068  0.229774  0.412830  1
  P  P124  1  0.519288  0.824926  0.346164  1
  P  P125  1  0.773515  0.134622  0.479497  1
  P  P126  1  0.896401  0.229774  0.412830  1
  P  P127  1  0.260530  0.229736  0.320827  1
  P  P128  1  0.514683  0.539404  0.454170  1
  P  P129  1  0.637569  0.634556  0.387503  1
  P  P130  1  0.593863  0.229736  0.320827  1
  P  P131  1  0.760530  0.729736  0.320827  1
  P  P132  1  0.848016  0.539404  0.454170  1
  P  P133  1  0.014683  0.039404  0.454170  1
  P  P134  1  0.970903  0.634556  0.387503  1
  P  P135  1  0.927197  0.229736  0.320827  1
  P  P136  1  0.137569  0.134556  0.387503  1
  P  P137  1  0.093863  0.729736  0.320827  1
  P  P138  1  0.181350  0.539404  0.454170  1
  P  P139  1  0.348016  0.039404  0.454170  1
  P  P140  1  0.304236  0.634556  0.387503  1
  P  P141  1  0.470903  0.134556  0.387503  1
  P  P142  1  0.427197  0.729736  0.320827  1
  P  P143  1  0.681350  0.039404  0.454170  1
  P  P144  1  0.804236  0.134556  0.387503  1
  P  P145  1  0.368777  0.279817  0.486809  1
  P  P146  1  0.491663  0.374969  0.420142  1
  P  P147  1  0.614550  0.470121  0.353476  1
  P  P148  1  0.702110  0.279817  0.486809  1
  P  P149  1  0.868777  0.779817  0.486809  1
  P  P150  1  0.824997  0.374969  0.420142  1
  P  P151  1  0.991663  0.874969  0.420142  1
  P  P152  1  0.947883  0.470121  0.353476  1
  P  P153  1  0.035444  0.279817  0.486809  1
  P  P154  1  0.114550  0.970121  0.353476  1
  P  P155  1  0.202110  0.779817  0.486809  1
  P  P156  1  0.158330  0.374969  0.420142  1
  P  P157  1  0.324997  0.874969  0.420142  1
  P  P158  1  0.281217  0.470121  0.353476  1
  P  P159  1  0.447883  0.970121  0.353476  1
  P  P160  1  0.535444  0.779817  0.486809  1
  P  P161  1  0.658330  0.874969  0.420142  1
  P  P162  1  0.781217  0.970121  0.353476  1
  P  P163  1  0.375641  0.489361  0.380191  1
  P  P164  1  0.499228  0.584623  0.313655  1
  P  P165  1  0.752754  0.894209  0.446858  1
  P  P166  1  0.708974  0.489361  0.380191  1
  P  P167  1  0.875641  0.989361  0.380191  1
  P  P168  1  0.832562  0.584623  0.313655  1
  P  P169  1  0.999228  0.084623  0.313655  1
  P  P170  1  0.086088  0.894209  0.446858  1
  P  P171  1  0.042307  0.489361  0.380191  1
  P  P172  1  0.252754  0.394209  0.446858  1
  P  P173  1  0.208974  0.989361  0.380191  1
  P  P174  1  0.165895  0.584623  0.313655  1
  P  P175  1  0.332562  0.084623  0.313655  1
  P  P176  1  0.419421  0.894209  0.446858  1
  P  P177  1  0.586088  0.394209  0.446858  1
  P  P178  1  0.542307  0.989361  0.380191  1
  P  P179  1  0.665895  0.084623  0.313655  1
  P  P180  1  0.919421  0.394209  0.446858  1
  P  P181  1  0.333750  0.303750  0.478226  1
  P  P182  1  0.456637  0.398902  0.411560  1
  P  P183  1  0.579523  0.494053  0.344893  1
  P  P184  1  0.667084  0.303750  0.478226  1
  P  P185  1  0.833750  0.803750  0.478226  1
  P  P186  1  0.789970  0.398902  0.411560  1
  P  P187  1  0.956637  0.898902  0.411560  1
  P  P188  1  0.912857  0.494053  0.344893  1
  P  P189  1  1.000417  0.303750  0.478226  1
  P  P190  1  0.079523  0.994053  0.344893  1
  P  P191  1  0.167084  0.803750  0.478226  1
  P  P192  1  0.123303  0.398902  0.411560  1
  P  P193  1  0.289970  0.898902  0.411560  1
  P  P194  1  0.246190  0.494053  0.344893  1
  P  P195  1  0.412857  0.994053  0.344893  1
  P  P196  1  0.500417  0.803750  0.478226  1
  P  P197  1  0.623303  0.898902  0.411560  1
  P  P198  1  0.746190  0.994053  0.344893  1
  P  P199  1  0.410667  0.465428  0.388774  1
  P  P200  1  0.533430  0.561237  0.322084  1
  P  P201  1  0.787781  0.870277  0.455441  1
  P  P202  1  0.744001  0.465428  0.388774  1
  P  P203  1  0.910667  0.965428  0.388774  1
  P  P204  1  0.866764  0.561237  0.322084  1
  P  P205  1  0.033430  0.061237  0.322084  1
  P  P206  1  0.121114  0.870277  0.455441  1
  P  P207  1  0.077334  0.465428  0.388774  1
  P  P208  1  0.287781  0.370277  0.455441  1
  P  P209  1  0.244001  0.965428  0.388774  1
  P  P210  1  0.200097  0.561237  0.322084  1
  P  P211  1  0.366764  0.061237  0.322084  1
  P  P212  1  0.454448  0.870277  0.455441  1
  P  P213  1  0.621114  0.370277  0.455441  1
  P  P214  1  0.577334  0.965428  0.388774  1
  P  P215  1  0.700097  0.061237  0.322084  1
  P  P216  1  0.954448  0.370277  0.455441  1
  P  P217  1  0.316859  0.243719  0.473072  1
  P  P218  1  0.439745  0.338871  0.406405  1
  P  P219  1  0.562632  0.434022  0.339739  1
  P  P220  1  0.650192  0.243719  0.473072  1
  P  P221  1  0.816859  0.743719  0.473072  1
  P  P222  1  0.773079  0.338871  0.406405  1
  P  P223  1  0.939745  0.838871  0.406405  1
  P  P224  1  0.895965  0.434022  0.339739  1
  P  P225  1  0.983526  0.243719  0.473072  1
  P  P226  1  0.062632  0.934022  0.339739  1
  P  P227  1  0.150192  0.743719  0.473072  1
  P  P228  1  0.106412  0.338871  0.406405  1
  P  P229  1  0.273079  0.838871  0.406405  1
  P  P230  1  0.229298  0.434022  0.339739  1
  P  P231  1  0.395965  0.934022  0.339739  1
  P  P232  1  0.483526  0.743719  0.473072  1
  P  P233  1  0.606412  0.838871  0.406405  1
  P  P234  1  0.729298  0.934022  0.339739  1
  P  P235  1  0.427559  0.525459  0.393928  1
  P  P236  1  0.549923  0.619873  0.327146  1
  P  P237  1  0.804672  0.930307  0.460595  1
  P  P238  1  0.760892  0.525459  0.393928  1
  P  P239  1  0.927559  0.025459  0.393928  1
  P  P240  1  0.883256  0.619873  0.327146  1
  P  P241  1  0.049923  0.119873  0.327146  1
  P  P242  1  0.138006  0.930307  0.460595  1
  P  P243  1  0.094226  0.525459  0.393928  1
  P  P244  1  0.304672  0.430307  0.460595  1
  P  P245  1  0.260892  0.025459  0.393928  1
  P  P246  1  0.216590  0.619873  0.327146  1
  P  P247  1  0.383256  0.119873  0.327146  1
  P  P248  1  0.471339  0.930307  0.460595  1
  P  P249  1  0.638006  0.430307  0.460595  1
  P  P250  1  0.594226  0.025459  0.393928  1
  P  P251  1  0.716590  0.119873  0.327146  1
  P  P252  1  0.971339  0.430307  0.460595  1
  P  P253  1  0.450625  0.364344  0.453284  1
  P  P254  1  0.573511  0.459496  0.386618  1
  P  P255  1  0.696453  0.554677  0.319941  1
  P  P256  1  0.783958  0.364344  0.453284  1
  P  P257  1  0.950625  0.864344  0.453284  1
  P  P258  1  0.906845  0.459496  0.386618  1
  P  P259  1  0.073511  0.959496  0.386618  1
  P  P260  1  0.029787  0.554677  0.319941  1
  P  P261  1  0.117292  0.364344  0.453284  1
  P  P262  1  0.196453  0.054677  0.319941  1
  P  P263  1  0.283958  0.864344  0.453284  1
  P  P264  1  0.240178  0.459496  0.386618  1
  P  P265  1  0.406845  0.959496  0.386618  1
  P  P266  1  0.363120  0.554677  0.319941  1
  P  P267  1  0.529787  0.054677  0.319941  1
  P  P268  1  0.617292  0.864344  0.453284  1
  P  P269  1  0.740178  0.959496  0.386618  1
  P  P270  1  0.863120  0.054677  0.319941  1
  P  P271  1  0.293793  0.404834  0.413716  1
  P  P272  1  0.416679  0.499986  0.347050  1
  P  P273  1  0.670906  0.809683  0.480383  1
  P  P274  1  0.627126  0.404834  0.413716  1
  P  P275  1  0.793793  0.904834  0.413716  1
  P  P276  1  0.750013  0.499986  0.347050  1
  P  P277  1  0.916679  0.999986  0.347050  1
  P  P278  1  1.004240  0.809683  0.480383  1
  P  P279  1  0.960459  0.404834  0.413716  1
  P  P280  1  0.170906  0.309683  0.480383  1
  P  P281  1  0.127126  0.904834  0.413716  1
  P  P282  1  0.083346  0.499986  0.347050  1
  P  P283  1  0.250013  0.999986  0.347050  1
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  P  P863  1  0.829934  0.170484  0.680995  1
  P  P864  1  0.951020  0.264337  0.614152  1
