# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.75318527
_cell_length_b   23.19623385
_cell_length_c   50.17535197
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.63028173
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P336
_cell_volume   20602.5002651
_cell_formula_units_Z   336
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  0.377226  0.485274  0.298160  1
  P  P2  1  0.732611  0.540100  0.277088  1
  P  P3  1  0.022136  0.600685  0.315008  1
  P  P4  1  0.377226  0.985274  0.298160  1
  P  P5  1  0.732611  1.040100  0.277088  1
  P  P6  1  0.022136  1.100685  0.315008  1
  P  P7  1  0.412513  0.857469  0.269498  1
  P  P8  1  0.700632  0.918496  0.306470  1
  P  P9  1  0.059628  0.972175  0.286938  1
  P  P10  1  0.412513  0.357469  0.269498  1
  P  P11  1  0.700632  0.418496  0.306470  1
  P  P12  1  0.059628  0.472175  0.286938  1
  P  P13  1  0.554909  0.761195  0.286912  1
  P  P14  1  0.843725  0.824749  0.325556  1
  P  P15  1  0.200307  0.792998  0.307138  1
  P  P16  1  0.554909  0.261195  0.286912  1
  P  P17  1  0.843725  0.324749  0.325556  1
  P  P18  1  0.200307  0.292998  0.307138  1
  P  P19  1  0.590790  0.632509  0.258924  1
  P  P20  1  0.879127  0.697835  0.296152  1
  P  P21  1  0.235424  0.664619  0.278657  1
  P  P22  1  0.590790  1.132509  0.258924  1
  P  P23  1  0.879127  0.197835  0.296152  1
  P  P24  1  0.235424  0.164619  0.278657  1
  P  P25  1  0.377226  0.735274  0.298160  1
  P  P26  1  0.732611  0.790100  0.277088  1
  P  P27  1  0.022136  0.850685  0.315008  1
  P  P28  1  0.377226  0.235274  0.298160  1
  P  P29  1  0.732611  0.290100  0.277088  1
  P  P30  1  0.022136  0.350685  0.315008  1
  P  P31  1  0.412513  0.607469  0.269498  1
  P  P32  1  0.700632  0.668496  0.306470  1
  P  P33  1  0.059628  0.722175  0.286938  1
  P  P34  1  0.412513  1.107469  0.269498  1
  P  P35  1  0.700632  0.168496  0.306470  1
  P  P36  1  0.059628  0.222175  0.286938  1
  P  P37  1  0.554909  0.511195  0.286912  1
  P  P38  1  0.843725  0.574749  0.325556  1
  P  P39  1  0.200307  0.542998  0.307138  1
  P  P40  1  0.554909  1.011195  0.286912  1
  P  P41  1  0.843725  1.074749  0.325556  1
  P  P42  1  0.200307  1.042998  0.307138  1
  P  P43  1  0.590790  0.882509  0.258924  1
  P  P44  1  0.879127  0.947835  0.296152  1
  P  P45  1  0.235424  0.914619  0.278657  1
  P  P46  1  0.590790  0.382509  0.258924  1
  P  P47  1  0.879127  0.447835  0.296152  1
  P  P48  1  0.235424  0.414619  0.278657  1
  P  P49  1  0.304416  0.492157  0.358754  1
  P  P50  1  0.663607  0.546851  0.336716  1
  P  P51  1  0.950173  0.608139  0.375988  1
  P  P52  1  0.304416  0.992157  0.358754  1
  P  P53  1  0.663607  1.046851  0.336716  1
  P  P54  1  0.950173  1.108139  0.375988  1
  P  P55  1  0.340786  0.863863  0.328977  1
  P  P56  1  0.628108  0.925579  0.367485  1
  P  P57  1  0.985937  0.979396  0.346091  1
  P  P58  1  0.340786  0.363863  0.328977  1
  P  P59  1  0.628108  0.425579  0.367485  1
  P  P60  1  0.985937  0.479396  0.346091  1
  P  P61  1  0.484075  0.769184  0.347935  1
  P  P62  1  0.771158  0.831361  0.386659  1
  P  P63  1  0.126788  0.800158  0.367418  1
  P  P64  1  0.484075  0.269184  0.347935  1
  P  P65  1  0.771158  0.331361  0.386659  1
  P  P66  1  0.126788  0.300158  0.367418  1
  P  P67  1  0.520712  0.640370  0.318175  1
  P  P68  1  0.807165  0.703104  0.356311  1
  P  P69  1  0.162759  0.671445  0.337806  1
  P  P70  1  0.520712  1.140370  0.318175  1
  P  P71  1  0.807165  0.203104  0.356311  1
  P  P72  1  0.162759  0.171445  0.337806  1
  P  P73  1  0.304416  0.742157  0.358754  1
  P  P74  1  0.663607  0.796851  0.336716  1
  P  P75  1  0.950173  0.858139  0.375988  1
  P  P76  1  0.304416  0.242157  0.358754  1
  P  P77  1  0.663607  0.296851  0.336716  1
  P  P78  1  0.950173  0.358139  0.375988  1
  P  P79  1  0.340786  0.613863  0.328977  1
  P  P80  1  0.628108  0.675579  0.367485  1
  P  P81  1  0.985937  0.729396  0.346091  1
  P  P82  1  0.340786  1.113863  0.328977  1
  P  P83  1  0.628108  0.175579  0.367485  1
  P  P84  1  0.985937  0.229396  0.346091  1
  P  P85  1  0.484075  0.519184  0.347935  1
  P  P86  1  0.771158  0.581361  0.386659  1
  P  P87  1  0.126788  0.550158  0.367418  1
  P  P88  1  0.484075  1.019184  0.347935  1
  P  P89  1  0.771158  1.081361  0.386659  1
  P  P90  1  0.126788  1.050158  0.367418  1
  P  P91  1  0.520712  0.890370  0.318175  1
  P  P92  1  0.807165  0.953104  0.356311  1
  P  P93  1  0.162759  0.921445  0.337806  1
  P  P94  1  0.520712  0.390370  0.318175  1
  P  P95  1  0.807165  0.453104  0.356311  1
  P  P96  1  0.162759  0.421445  0.337806  1
  P  P97  1  0.232066  0.499435  0.419483  1
  P  P98  1  0.591538  0.554110  0.397719  1
  P  P99  1  0.878055  0.615548  0.436934  1
  P  P100  1  0.232066  0.999435  0.419483  1
  P  P101  1  0.591538  1.054110  0.397719  1
  P  P102  1  0.878055  1.115548  0.436934  1
  P  P103  1  0.268115  0.870722  0.389408  1
  P  P104  1  0.555415  0.932771  0.428330  1
  P  P105  1  0.913932  0.986915  0.406740  1
  P  P106  1  0.268115  0.370722  0.389408  1
  P  P107  1  0.555415  0.432771  0.428330  1
  P  P108  1  0.913932  0.486915  0.406740  1
  P  P109  1  0.411706  0.776772  0.408761  1
  P  P110  1  0.698723  0.838471  0.447639  1
  P  P111  1  0.054998  0.807527  0.428249  1
  P  P112  1  0.411706  0.276772  0.408761  1
  P  P113  1  0.698723  0.338471  0.447639  1
  P  P114  1  0.054998  0.307527  0.428249  1
  P  P115  1  0.448079  0.648166  0.378697  1
  P  P116  1  0.734967  0.709954  0.417352  1
  P  P117  1  0.090766  0.678820  0.398205  1
  P  P118  1  0.448079  1.148166  0.378697  1
  P  P119  1  0.734967  0.209954  0.417352  1
  P  P120  1  0.090766  0.178820  0.398205  1
  P  P121  1  0.232066  0.749435  0.419483  1
  P  P122  1  0.591538  0.804110  0.397719  1
  P  P123  1  0.878055  0.865548  0.436934  1
  P  P124  1  0.232066  0.249435  0.419483  1
  P  P125  1  0.591538  0.304110  0.397719  1
  P  P126  1  0.878055  0.365548  0.436934  1
  P  P127  1  0.268115  0.620722  0.389408  1
  P  P128  1  0.555415  0.682771  0.428330  1
  P  P129  1  0.913932  0.736915  0.406740  1
  P  P130  1  0.268115  1.120722  0.389408  1
  P  P131  1  0.555415  0.182771  0.428330  1
  P  P132  1  0.913932  0.236915  0.406740  1
  P  P133  1  0.411706  0.526772  0.408761  1
  P  P134  1  0.698723  0.588471  0.447639  1
  P  P135  1  0.054998  0.557527  0.428249  1
  P  P136  1  0.411706  1.026772  0.408761  1
  P  P137  1  0.698723  1.088471  0.447639  1
  P  P138  1  0.054998  1.057527  0.428249  1
  P  P139  1  0.448079  0.898166  0.378697  1
  P  P140  1  0.734967  0.959954  0.417352  1
  P  P141  1  0.090766  0.928820  0.398205  1
  P  P142  1  0.448079  0.398166  0.378697  1
  P  P143  1  0.734967  0.459954  0.417352  1
  P  P144  1  0.090766  0.428820  0.398205  1
  P  P145  1  0.159974  0.506835  0.480254  1
  P  P146  1  0.519032  0.561275  0.458600  1
  P  P147  1  0.805877  0.622972  0.497703  1
  P  P148  1  0.159974  1.006835  0.480254  1
  P  P149  1  0.519032  1.061275  0.458600  1
  P  P150  1  0.805877  1.122972  0.497703  1
  P  P151  1  0.195995  0.878162  0.450052  1
  P  P152  1  0.482839  0.939859  0.489155  1
  P  P153  1  0.841898  0.994300  0.467502  1
  P  P154  1  0.195995  0.378162  0.450052  1
  P  P155  1  0.482839  0.439859  0.489155  1
  P  P156  1  0.841898  0.494300  0.467502  1
  P  P157  1  0.339309  0.784014  0.469541  1
  P  P158  1  0.626340  0.845667  0.508450  1
  P  P159  1  0.983026  0.814908  0.488961  1
  P  P160  1  0.339309  0.284014  0.469541  1
  P  P161  1  0.626340  0.345667  0.508450  1
  P  P162  1  0.983026  0.314908  0.488961  1
  P  P163  1  0.375531  0.655468  0.439305  1
  P  P164  1  0.662563  0.717121  0.478214  1
  P  P165  1  0.018845  0.686227  0.458794  1
  P  P166  1  0.375531  1.155468  0.439305  1
  P  P167  1  0.662563  0.217121  0.478214  1
  P  P168  1  0.018845  0.186227  0.458794  1
  P  P169  1  0.159974  0.756835  0.480254  1
  P  P170  1  0.519032  0.811275  0.458600  1
  P  P171  1  0.805877  0.872972  0.497703  1
  P  P172  1  0.159974  0.256835  0.480254  1
  P  P173  1  0.519032  0.311275  0.458600  1
  P  P174  1  0.805877  0.372972  0.497703  1
  P  P175  1  0.195995  0.628162  0.450052  1
  P  P176  1  0.482839  0.689859  0.489155  1
  P  P177  1  0.841898  0.744300  0.467502  1
  P  P178  1  0.195995  1.128162  0.450052  1
  P  P179  1  0.482839  0.189859  0.489155  1
  P  P180  1  0.841898  0.244300  0.467502  1
  P  P181  1  0.339309  0.534014  0.469541  1
  P  P182  1  0.626340  0.595667  0.508450  1
  P  P183  1  0.983026  0.564908  0.488961  1
  P  P184  1  0.339309  1.034014  0.469541  1
  P  P185  1  0.626340  1.095667  0.508450  1
  P  P186  1  0.983026  1.064908  0.488961  1
  P  P187  1  0.375531  0.905468  0.439305  1
  P  P188  1  0.662563  0.967121  0.478214  1
  P  P189  1  0.018845  0.936227  0.458794  1
  P  P190  1  0.375531  0.405468  0.439305  1
  P  P191  1  0.662563  0.467121  0.478214  1
  P  P192  1  0.018845  0.436227  0.458794  1
  P  P193  1  0.087939  0.514219  0.541015  1
  P  P194  1  0.446456  0.568364  0.519425  1
  P  P195  1  0.733756  0.630413  0.558347  1
  P  P196  1  0.087939  1.014219  0.541015  1
  P  P197  1  0.446456  1.068364  0.519425  1
  P  P198  1  0.733756  1.130413  0.558347  1
  P  P199  1  0.123816  0.885587  0.510821  1
  P  P200  1  0.410333  0.947025  0.550036  1
  P  P201  1  0.769805  1.001700  0.528272  1
  P  P202  1  0.123816  0.385587  0.510821  1
  P  P203  1  0.410333  0.447025  0.550036  1
  P  P204  1  0.769805  0.501700  0.528272  1
  P  P205  1  0.266905  0.791181  0.530403  1
  P  P206  1  0.553792  0.852969  0.569059  1
  P  P207  1  0.911105  0.822314  0.549550  1
  P  P208  1  0.266905  0.291181  0.530403  1
  P  P209  1  0.553792  0.352969  0.569059  1
  P  P210  1  0.911105  0.322314  0.549550  1
  P  P211  1  0.303148  0.662664  0.500116  1
  P  P212  1  0.590165  0.724363  0.538994  1
  P  P213  1  0.946873  0.693608  0.519506  1
  P  P214  1  0.303148  0.162664  0.500116  1
  P  P215  1  0.590165  0.224363  0.538994  1
  P  P216  1  0.946873  0.193608  0.519506  1
  P  P217  1  0.087939  0.764219  0.541015  1
  P  P218  1  0.446456  0.818364  0.519425  1
  P  P219  1  0.733756  0.880413  0.558347  1
  P  P220  1  0.087939  0.264219  0.541015  1
  P  P221  1  0.446456  0.318364  0.519425  1
  P  P222  1  0.733756  0.380413  0.558347  1
  P  P223  1  0.123816  0.635587  0.510821  1
  P  P224  1  0.410333  0.697025  0.550036  1
  P  P225  1  0.769805  0.751700  0.528272  1
  P  P226  1  0.123816  1.135587  0.510821  1
  P  P227  1  0.410333  0.197025  0.550036  1
  P  P228  1  0.769805  0.251700  0.528272  1
  P  P229  1  0.266905  0.541181  0.530403  1
  P  P230  1  0.553792  0.602969  0.569059  1
  P  P231  1  0.911105  0.572314  0.549550  1
  P  P232  1  0.266905  1.041181  0.530403  1
  P  P233  1  0.553792  1.102969  0.569059  1
  P  P234  1  0.911105  1.072314  0.549550  1
  P  P235  1  0.303148  0.912664  0.500116  1
  P  P236  1  0.590165  0.974363  0.538994  1
  P  P237  1  0.946873  0.943608  0.519506  1
  P  P238  1  0.303148  0.412664  0.500116  1
  P  P239  1  0.590165  0.474363  0.538994  1
  P  P240  1  0.946873  0.443608  0.519506  1
  P  P241  1  0.015934  0.521739  0.601664  1
  P  P242  1  0.373764  0.575556  0.580270  1
  P  P243  1  0.661085  0.637272  0.618778  1
  P  P244  1  0.015934  1.021739  0.601664  1
  P  P245  1  0.373764  1.075556  0.580270  1
  P  P246  1  0.661085  1.137272  0.618778  1
  P  P247  1  0.051699  0.892996  0.571767  1
  P  P248  1  0.338264  0.954284  0.611039  1
  P  P249  1  0.697456  1.008978  0.589002  1
  P  P250  1  0.051699  0.392996  0.571767  1
  P  P251  1  0.338264  0.454284  0.611039  1
  P  P252  1  0.697456  0.508978  0.589002  1
  P  P253  1  0.194707  0.798031  0.591444  1
  P  P254  1  0.481160  0.860765  0.629580  1
  P  P255  1  0.839112  0.829690  0.609949  1
  P  P256  1  0.194707  0.298031  0.591444  1
  P  P257  1  0.481160  0.360765  0.629580  1
  P  P258  1  0.839112  0.329690  0.609949  1
  P  P259  1  0.230713  0.669774  0.561096  1
  P  P260  1  0.517796  0.731950  0.599821  1
  P  P261  1  0.875084  0.700977  0.580338  1
  P  P262  1  0.230713  0.169774  0.561096  1
  P  P263  1  0.517796  0.231950  0.599821  1
  P  P264  1  0.875084  0.200977  0.580338  1
  P  P265  1  0.015934  0.771739  0.601664  1
  P  P266  1  0.373764  0.825556  0.580270  1
  P  P267  1  0.661085  0.887272  0.618778  1
  P  P268  1  0.015934  0.271739  0.601664  1
  P  P269  1  0.373764  0.325556  0.580270  1
  P  P270  1  0.661085  0.387272  0.618778  1
  P  P271  1  0.051699  0.642996  0.571767  1
  P  P272  1  0.338264  0.704284  0.611039  1
  P  P273  1  0.697456  0.758978  0.589002  1
  P  P274  1  0.051699  1.142996  0.571767  1
  P  P275  1  0.338264  0.204284  0.611039  1
  P  P276  1  0.697456  0.258978  0.589002  1
  P  P277  1  0.194707  0.548031  0.591444  1
  P  P278  1  0.481160  0.610765  0.629580  1
  P  P279  1  0.839112  0.579690  0.609949  1
  P  P280  1  0.194707  1.048031  0.591444  1
  P  P281  1  0.481160  1.110765  0.629580  1
  P  P282  1  0.839112  1.079690  0.609949  1
  P  P283  1  0.230713  0.919774  0.561096  1
  P  P284  1  0.517796  0.981950  0.599821  1
  P  P285  1  0.875084  0.950977  0.580338  1
  P  P286  1  0.230713  0.419774  0.561096  1
  P  P287  1  0.517796  0.481950  0.599821  1
  P  P288  1  0.875084  0.450977  0.580338  1
  P  P289  1  0.942243  0.528960  0.660817  1
  P  P290  1  0.301240  0.582639  0.641285  1
  P  P291  1  0.589359  0.643666  0.678258  1
  P  P292  1  0.942243  1.028960  0.660817  1
  P  P293  1  0.301240  1.082639  0.641285  1
  P  P294  1  0.589359  1.143666  0.678258  1
  P  P295  1  0.979735  0.900450  0.632747  1
  P  P296  1  0.269260  0.961034  0.670667  1
  P  P297  1  0.624646  1.015861  0.649595  1
  P  P298  1  0.979735  0.400450  0.632747  1
  P  P299  1  0.269260  0.461034  0.670667  1
  P  P300  1  0.624646  0.515861  0.649595  1
  P  P301  1  0.122744  0.803300  0.651603  1
  P  P302  1  0.411081  0.868625  0.688831  1
  P  P303  1  0.766448  0.836516  0.669098  1
  P  P304  1  0.122744  0.303300  0.651603  1
  P  P305  1  0.411081  0.368625  0.688831  1
  P  P306  1  0.766448  0.336516  0.669098  1
  P  P307  1  0.158146  0.676385  0.622199  1
  P  P308  1  0.446962  0.739939  0.660843  1
  P  P309  1  0.801564  0.708137  0.640617  1
  P  P310  1  0.158146  0.176385  0.622199  1
  P  P311  1  0.446962  0.239939  0.660843  1
  P  P312  1  0.801564  0.208137  0.640617  1
  P  P313  1  0.942243  0.778960  0.660817  1
  P  P314  1  0.301240  0.832639  0.641285  1
  P  P315  1  0.589359  0.893666  0.678258  1
  P  P316  1  0.942243  0.278960  0.660817  1
  P  P317  1  0.301240  0.332639  0.641285  1
  P  P318  1  0.589359  0.393666  0.678258  1
  P  P319  1  0.979735  0.650450  0.632747  1
  P  P320  1  0.269260  0.711034  0.670667  1
  P  P321  1  0.624646  0.765861  0.649595  1
  P  P322  1  0.979735  1.150450  0.632747  1
  P  P323  1  0.269260  0.211034  0.670667  1
  P  P324  1  0.624646  0.265861  0.649595  1
  P  P325  1  0.122744  0.553300  0.651603  1
  P  P326  1  0.411081  0.618625  0.688831  1
  P  P327  1  0.766448  0.586516  0.669098  1
  P  P328  1  0.122744  1.053300  0.651603  1
  P  P329  1  0.411081  1.118625  0.688831  1
  P  P330  1  0.766448  1.086516  0.669098  1
  P  P331  1  0.158146  0.926385  0.622199  1
  P  P332  1  0.446962  0.989939  0.660843  1
  P  P333  1  0.801564  0.958137  0.640617  1
  P  P334  1  0.158146  0.426385  0.622199  1
  P  P335  1  0.446962  0.489939  0.660843  1
  P  P336  1  0.801564  0.458137  0.640617  1
