# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85633319
_cell_length_b   54.16349903
_cell_length_c   53.86333150
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P252
_cell_volume   22920.2746591
_cell_formula_units_Z   252
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  0.347856  0.670187  0.364497  1
  P  P2  1  0.495089  0.713602  0.326783  1
  P  P3  1  0.180849  0.101377  0.314665  1
  P  P4  1  0.925244  0.273438  0.317520  1
  P  P5  1  0.386462  0.210263  0.388205  1
  P  P6  1  0.611745  0.639069  0.400368  1
  P  P7  1  0.194448  0.312252  0.342042  1
  P  P8  1  0.652391  0.037825  0.385558  1
  P  P9  1  0.794714  0.328160  0.346996  1
  P  P10  1  0.971789  0.232223  0.447281  1
  P  P11  1  0.248894  0.253542  0.350677  1
  P  P12  1  0.017343  0.845409  0.311300  1
  P  P13  1  0.076852  0.507119  0.421253  1
  P  P14  1  0.017379  0.852434  0.371103  1
  P  P15  1  0.555057  0.570140  0.349344  1
  P  P16  1  0.109998  0.368149  0.354043  1
  P  P17  1  0.708182  0.190929  0.422713  1
  P  P18  1  0.115318  0.159919  0.305005  1
  P  P19  1  0.289262  0.619647  0.434185  1
  P  P20  1  0.554211  0.773757  0.318795  1
  P  P21  1  0.819539  0.547595  0.444962  1
  P  P22  1  0.878384  0.607653  0.436492  1
  P  P23  1  0.180665  0.109674  0.373666  1
  P  P24  1  0.457459  0.350305  0.318566  1
  P  P25  1  0.923338  0.068834  0.350074  1
  P  P26  1  0.445797  0.141025  0.337184  1
  P  P27  1  0.768868  0.883701  0.336819  1
  P  P28  1  0.382868  1.006989  0.421341  1
  P  P29  1  0.495864  0.722613  0.387512  1
  P  P30  1  0.232479  0.763288  0.413107  1
  P  P31  1  0.653190  0.241411  0.351737  1
  P  P32  1  0.122488  0.169314  0.363816  1
  P  P33  1  0.295317  0.822376  0.403430  1
  P  P34  1  0.553876  0.578970  0.409432  1
  P  P35  1  0.915344  0.280262  0.376843  1
  P  P36  1  0.506136  0.294579  0.378304  1
  P  P37  1  0.590345  0.097034  0.374469  1
  P  P38  1  0.976317  0.221918  0.386635  1
  P  P39  1  0.962596  0.786206  0.316807  1
  P  P40  1  0.144822  0.566528  0.411171  1
  P  P41  1  0.588214  0.107003  0.435627  1
  P  P42  1  0.760029  0.681927  0.362007  1
  P  P43  1  0.059199  0.025937  0.387876  1
  P  P44  1  0.855321  0.128168  0.339413  1
  P  P45  1  0.082540  0.710985  0.389022  1
  P  P46  1  0.498513  0.732557  0.448986  1
  P  P47  1  0.085453  0.701435  0.328564  1
  P  P48  1  0.445828  0.150226  0.397769  1
  P  P49  1  0.559577  0.791687  0.438957  1
  P  P50  1  0.348437  0.679897  0.425490  1
  P  P51  1  0.026095  0.641664  0.337282  1
  P  P52  1  0.912571  0.078570  0.409600  1
  P  P53  1  0.821827  0.539751  0.384552  1
  P  P54  1  0.469771  0.353246  0.377202  1
  P  P55  1  0.711675  0.181422  0.361252  1
  P  P56  1  0.895614  0.586901  0.319440  1
  P  P57  1  0.288427  0.610168  0.373113  1
  P  P58  1  0.818928  0.751082  0.414231  1
  P  P59  1  0.355491  0.660814  0.305443  1
  P  P60  1  0.286954  0.814009  0.343378  1
  P  P61  1  0.967218  0.793780  0.376496  1
  P  P62  1  0.647250  0.250098  0.413073  1
  P  P63  1  0.726454  0.386627  0.344696  1
  P  P64  1  0.980028  0.213441  0.326370  1
  P  P65  1  0.760376  0.691561  0.423581  1
  P  P66  1  0.964174  0.804174  0.435345  1
  P  P67  1  0.293100  0.601799  0.313668  1
  P  P68  1  0.617552  0.629007  0.339562  1
  P  P69  1  0.024953  0.651182  0.398446  1
  P  P70  1  0.854475  0.138190  0.399596  1
  P  P71  1  0.879081  0.598666  0.376598  1
  P  P72  1  0.235409  0.263994  0.411814  1
  P  P73  1  0.232018  0.753869  0.351458  1
  P  P74  1  0.554304  0.782300  0.378886  1
  P  P75  1  0.647985  0.047034  0.445343  1
  P  P76  1  0.120265  0.178940  0.424464  1
  P  P77  1  0.386320  0.200373  0.327845  1
  P  P78  1  0.696677  0.825759  0.342670  1
  P  P79  1  0.178089  0.119195  0.434223  1
  P  P80  1  0.817468  0.741948  0.352876  1
  P  P81  1  0.325181  0.066124  0.410819  1
  P  P82  1  0.142335  0.324188  0.399036  1
  P  P83  1  0.901066  0.291031  0.436284  1
  P  P84  1  0.535223  0.289697  0.318888  1
  P  P85  1  0.409975  0.544883  0.507672  1
  P  P86  1  0.554681  0.588191  0.470101  1
  P  P87  1  0.119779  0.976228  0.457635  1
  P  P88  1  0.852781  0.147877  0.460534  1
  P  P89  1  0.320416  0.085846  0.532753  1
  P  P90  1  0.674864  0.513584  0.543474  1
  P  P91  1  0.116771  0.188637  0.485056  1
  P  P92  1  0.590061  0.913297  0.529896  1
  P  P93  1  0.703890  0.200978  0.483648  1
  P  P94  1  0.908129  0.107695  0.591491  1
  P  P95  1  0.175898  0.129054  0.495132  1
  P  P96  1  0.085462  0.720178  0.450248  1
  P  P97  1  0.134151  0.381658  0.565042  1
  P  P98  1  0.088389  0.728780  0.510287  1
  P  P99  1  0.615769  0.444914  0.492302  1
  P  P100  1  0.968180  0.240994  0.506959  1
  P  P101  1  0.643017  0.066795  0.567023  1
  P  P102  1  0.058037  0.035019  0.447346  1
  P  P103  1  0.352358  0.494203  0.577443  1
  P  P104  1  0.613807  0.648512  0.461394  1
  P  P105  1  0.880704  0.422537  0.588589  1
  P  P106  1  0.940549  0.482216  0.579253  1
  P  P107  1  0.116266  0.984878  0.517555  1
  P  P108  1  0.381117  0.219961  0.449125  1
  P  P109  1  0.859189  0.944257  0.494029  1
  P  P110  1  0.382255  0.016066  0.481508  1
  P  P111  1  0.832014  0.761057  0.473796  1
  P  P112  1  0.320622  0.882646  0.565615  1
  P  P113  1  0.556191  0.597832  0.531165  1
  P  P114  1  0.293138  0.638520  0.556428  1
  P  P115  1  0.586253  0.117022  0.496699  1
  P  P116  1  0.056686  0.044709  0.507855  1
  P  P117  1  0.350396  0.697800  0.546535  1
  P  P118  1  0.615368  0.453638  0.552544  1
  P  P119  1  0.849900  0.157837  0.521282  1
  P  P120  1  0.438481  0.170257  0.520006  1
  P  P121  1  0.527684  0.972458  0.518831  1
  P  P122  1  0.909480  0.098006  0.530982  1
  P  P123  1  0.025617  0.660499  0.459584  1
  P  P124  1  0.204189  0.441111  0.554273  1
  P  P125  1  0.524005  0.982652  0.579884  1
  P  P126  1  0.820766  0.557041  0.505951  1
  P  P127  1  -0.002015  0.901721  0.531878  1
  P  P128  1  0.792576  1.003499  0.483036  1
  P  P129  1  0.145399  0.585674  0.532886  1
  P  P130  1  0.558465  0.607542  0.592241  1
  P  P131  1  0.144435  0.576241  0.471853  1
  P  P132  1  0.379912  0.025693  0.542138  1
  P  P133  1  0.620150  0.666846  0.582046  1
  P  P134  1  0.411485  0.554524  0.568736  1
  P  P135  1  0.085714  0.516508  0.481060  1
  P  P136  1  0.849395  0.954078  0.553781  1
  P  P137  1  0.877777  0.413935  0.528550  1
  P  P138  1  0.376105  0.229418  0.508941  1
  P  P139  1  0.645750  0.056869  0.506084  1
  P  P140  1  0.938394  0.464276  0.458903  1
  P  P141  1  0.350133  0.484765  0.516624  1
  P  P142  1  0.880451  0.626207  0.557778  1
  P  P143  1  0.407701  0.535173  0.446596  1
  P  P144  1  0.350798  0.689077  0.486294  1
  P  P145  1  0.026264  0.669926  0.520238  1
  P  P146  1  0.583911  0.126649  0.557330  1
  P  P147  1  0.645543  0.260069  0.473222  1
  P  P148  1  0.911167  0.088077  0.470258  1
  P  P149  1  0.821731  0.566474  0.566985  1
  P  P150  1  0.027771  0.678439  0.579935  1
  P  P151  1  0.346015  0.475869  0.456791  1
  P  P152  1  0.673027  0.504195  0.482409  1
  P  P153  1  0.086965  0.525671  0.541744  1
  P  P154  1  0.790268  0.013661  0.543705  1
  P  P155  1  0.939901  0.472789  0.518600  1
  P  P156  1  0.173590  0.139216  0.555801  1
  P  P157  1  0.291301  0.629131  0.495364  1
  P  P158  1  0.616033  0.657950  0.522213  1
  P  P159  1  0.585049  0.922754  0.589712  1
  P  P160  1  0.054999  0.054638  0.568580  1
  P  P161  1  0.323149  0.075920  0.471814  1
  P  P162  1  0.761977  0.701604  0.484564  1
  P  P163  1  0.113385  0.994838  0.578303  1
  P  P164  1  0.879201  0.617044  0.497093  1
  P  P165  1  0.262276  0.941737  0.555190  1
  P  P166  1  0.106977  0.198458  0.544808  1
  P  P167  1  0.846387  0.166487  0.581202  1
  P  P168  1  0.442160  0.160063  0.458954  1
  P  P169  1  0.470301  0.420102  0.651325  1
  P  P170  1  0.617729  0.462818  0.613348  1
  P  P171  1  0.065100  0.851684  0.602554  1
  P  P172  1  0.788076  0.023520  0.604614  1
  P  P173  1  0.254490  0.961293  0.677586  1
  P  P174  1  0.734147  0.388846  0.687379  1
  P  P175  1  0.053594  0.064145  0.629237  1
  P  P176  1  0.496395  0.789469  0.661636  1
  P  P177  1  0.640985  0.076591  0.628018  1
  P  P178  1  0.850848  0.982796  0.733832  1
  P  P179  1  0.111691  1.004525  0.639242  1
  P  P180  1  0.146627  0.595120  0.593876  1
  P  P181  1  0.197298  0.259014  0.702018  1
  P  P182  1  0.144339  0.602964  0.654286  1
  P  P183  1  0.670849  0.320339  0.635408  1
  P  P184  1  0.906967  0.116778  0.650962  1
  P  P185  1  0.579846  0.942342  0.710992  1
  P  P186  1  -0.005623  0.910492  0.591556  1
  P  P187  1  0.411954  0.368958  0.720043  1
  P  P188  1  0.676904  0.523068  0.604652  1
  P  P189  1  0.948823  0.297306  0.727537  1
  P  P190  1  0.003570  0.356509  0.722030  1
  P  P191  1  0.050822  0.862453  0.661994  1
  P  P192  1  0.318181  0.095681  0.593494  1
  P  P193  1  0.823830  0.818527  0.639801  1
  P  P194  1  0.318916  0.892617  0.625764  1
  P  P195  1  0.889313  0.635596  0.617584  1
  P  P196  1  0.239711  0.756088  0.694141  1
  P  P197  1  0.618309  0.472528  0.674340  1
  P  P198  1  0.348614  0.513708  0.699275  1
  P  P199  1  0.520338  0.992489  0.641068  1
  P  P200  1  -0.010151  0.920797  0.652202  1
  P  P201  1  0.411108  0.572575  0.689494  1
  P  P202  1  0.679211  0.328706  0.695459  1
  P  P203  1  0.785500  0.033041  0.665172  1
  P  P204  1  0.375820  0.045681  0.664369  1
  P  P205  1  0.460030  0.848136  0.660533  1
  P  P206  1  0.843678  0.973401  0.675021  1
  P  P207  1  0.087781  0.535062  0.602345  1
  P  P208  1  0.269489  0.316956  0.696167  1
  P  P209  1  0.430942  0.853018  0.719950  1
  P  P210  1  0.883626  0.431730  0.649815  1
  P  P211  1  0.856167  0.774566  0.684795  1
  P  P212  1  0.730757  0.878721  0.627023  1
  P  P213  1  0.206137  0.460788  0.676830  1
  P  P214  1  0.610675  0.481901  0.733394  1
  P  P215  1  0.205789  0.451154  0.615256  1
  P  P216  1  0.312976  0.901304  0.687100  1
  P  P217  1  0.673065  0.540916  0.725169  1
  P  P218  1  0.471077  0.429113  0.712054  1
  P  P219  1  0.147238  0.391633  0.624606  1
  P  P220  1  0.771717  0.830463  0.696796  1
  P  P221  1  0.948787  0.290281  0.667734  1
  P  P222  1  0.313774  0.104890  0.653280  1
  P  P223  1  0.579704  0.932452  0.650632  1
  P  P224  1  0.001991  0.338541  0.603492  1
  P  P225  1  0.411862  0.360415  0.659952  1
  P  P226  1  0.940070  0.501051  0.701556  1
  P  P227  1  0.467652  0.410158  0.589852  1
  P  P228  1  0.412289  0.563745  0.629405  1
  P  P229  1  0.087085  0.544049  0.662239  1
  P  P230  1  0.520369  1.001690  0.701654  1
  P  P231  1  0.583297  0.135726  0.617496  1
  P  P232  1  0.845901  0.963775  0.614374  1
  P  P233  1  0.880712  0.441280  0.710273  1
  P  P234  1  0.070552  0.555814  0.719398  1
  P  P235  1  0.406588  0.351028  0.599880  1
  P  P236  1  0.733687  0.379427  0.625730  1
  P  P237  1  0.148697  0.400767  0.685962  1
  P  P238  1  0.717271  0.889173  0.688160  1
  P  P239  1  -0.001052  0.348934  0.662341  1
  P  P240  1  0.110845  0.014547  0.699425  1
  P  P241  1  0.354421  0.503646  0.638469  1
  P  P242  1  0.677738  0.532547  0.665725  1
  P  P243  1  0.508706  0.792410  0.720272  1
  P  P244  1  -0.013862  0.929274  0.712468  1
  P  P245  1  0.257984  0.951786  0.616125  1
  P  P246  1  0.821344  0.576187  0.627667  1
  P  P247  1  0.040921  0.869277  0.721317  1
  P  P248  1  0.941213  0.491533  0.640391  1
  P  P249  1  0.171452  0.814555  0.691842  1
  P  P250  1  0.042827  0.073881  0.688763  1
  P  P251  1  0.785316  0.041338  0.724172  1
  P  P252  1  0.377952  0.035712  0.603210  1
