# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.81180600
_cell_length_b   35.04857865
_cell_length_c   49.46879297
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.21872880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P504
_cell_volume   29145.7823704
_cell_formula_units_Z   504
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  0.240600  0.920708  0.277759  1
  P  P2  1  0.573934  0.587375  0.277759  1
  P  P3  1  0.557172  0.907973  0.299259  1
  P  P4  1  0.907267  0.254042  0.277759  1
  P  P5  1  0.890506  0.574640  0.299259  1
  P  P6  1  0.884444  0.896401  0.316393  1
  P  P7  1  0.223839  0.241306  0.299259  1
  P  P8  1  0.217778  0.563068  0.316393  1
  P  P9  1  0.551111  0.229735  0.316393  1
  P  P10  1  0.129726  0.174936  0.268572  1
  P  P11  1  0.463059  0.841603  0.268572  1
  P  P12  1  0.464233  0.156113  0.287202  1
  P  P13  1  0.796393  0.508270  0.268572  1
  P  P14  1  0.797566  0.822780  0.287202  1
  P  P15  1  0.779995  0.151592  0.311645  1
  P  P16  1  0.130900  0.489447  0.287202  1
  P  P17  1  0.113329  0.818258  0.311645  1
  P  P18  1  0.446662  0.484925  0.311645  1
  P  P19  1  0.390505  1.074640  0.299259  1
  P  P20  1  0.723839  0.741306  0.299259  1
  P  P21  1  0.717777  1.063068  0.316393  1
  P  P22  1  0.057172  0.407973  0.299259  1
  P  P23  1  0.051111  0.729735  0.316393  1
  P  P24  1  0.073933  1.087375  0.277759  1
  P  P25  1  0.384444  0.396401  0.316393  1
  P  P26  1  0.407267  0.754042  0.277759  1
  P  P27  1  0.740600  0.420708  0.277759  1
  P  P28  1  0.296393  1.008270  0.268572  1
  P  P29  1  0.629726  0.674936  0.268572  1
  P  P30  1  0.630900  0.989447  0.287202  1
  P  P31  1  0.963059  0.341603  0.268572  1
  P  P32  1  0.964233  0.656113  0.287202  1
  P  P33  1  0.946662  0.984925  0.311645  1
  P  P34  1  0.297566  0.322780  0.287202  1
  P  P35  1  0.279996  0.651592  0.311645  1
  P  P36  1  0.613329  0.318258  0.311645  1
  P  P37  1  0.217140  1.065297  0.318893  1
  P  P38  1  0.550474  0.731964  0.318893  1
  P  P39  1  0.563562  1.073195  0.275983  1
  P  P40  1  0.883807  0.398631  0.318893  1
  P  P41  1  0.896896  0.739862  0.275983  1
  P  P42  1  0.895084  1.072916  0.297321  1
  P  P43  1  0.230230  0.406529  0.275983  1
  P  P44  1  0.228418  0.739582  0.297321  1
  P  P45  1  0.561751  0.406249  0.297321  1
  P  P46  1  0.119510  0.996318  0.288795  1
  P  P47  1  0.452844  0.662984  0.288795  1
  P  P48  1  0.446018  0.986749  0.307937  1
  P  P49  1  0.786177  0.329651  0.288795  1
  P  P50  1  0.779351  0.653416  0.307937  1
  P  P51  1  0.814263  0.986571  0.267854  1
  P  P52  1  0.112685  0.320083  0.307937  1
  P  P53  1  0.147596  0.653238  0.267854  1
  P  P54  1  0.480929  0.319904  0.267854  1
  P  P55  1  0.383807  0.898631  0.318893  1
  P  P56  1  0.717141  0.565297  0.318893  1
  P  P57  1  0.730229  0.906528  0.275983  1
  P  P58  1  0.050474  0.231964  0.318893  1
  P  P59  1  0.063563  0.573195  0.275983  1
  P  P60  1  0.061751  0.906249  0.297321  1
  P  P61  1  0.396896  0.239862  0.275983  1
  P  P62  1  0.395084  0.572916  0.297321  1
  P  P63  1  0.728417  0.239582  0.297321  1
  P  P64  1  0.279351  0.153416  0.307937  1
  P  P65  1  0.612685  0.820083  0.307937  1
  P  P66  1  0.647596  0.153237  0.267854  1
  P  P67  1  0.946018  0.486749  0.307937  1
  P  P68  1  0.980929  0.819905  0.267854  1
  P  P69  1  0.952844  0.162985  0.288795  1
  P  P70  1  0.314262  0.486572  0.267854  1
  P  P71  1  0.286177  0.829651  0.288795  1
  P  P72  1  0.619510  0.496318  0.288795  1
  P  P73  1  0.209328  0.887835  0.339787  1
  P  P74  1  0.542662  0.554501  0.339787  1
  P  P75  1  0.533171  0.876142  0.361179  1
  P  P76  1  0.875995  0.221168  0.339787  1
  P  P77  1  0.866505  0.542808  0.361179  1
  P  P78  1  0.855825  0.864907  0.381254  1
  P  P79  1  0.199838  0.209475  0.361179  1
  P  P80  1  0.189159  0.531574  0.381254  1
  P  P81  1  0.522492  0.198241  0.381254  1
  P  P82  1  0.100039  0.143131  0.330219  1
  P  P83  1  0.433372  0.809798  0.330219  1
  P  P84  1  0.420615  1.130845  0.351324  1
  P  P85  1  0.766705  0.476465  0.330219  1
  P  P86  1  0.753949  0.797512  0.351324  1
  P  P87  1  0.742403  1.119021  0.372569  1
  P  P88  1  0.087282  0.464178  0.351324  1
  P  P89  1  0.075736  0.785687  0.372569  1
  P  P90  1  0.409069  0.452354  0.372569  1
  P  P91  1  0.366504  1.042808  0.361179  1
  P  P92  1  0.699838  0.709475  0.361179  1
  P  P93  1  0.689159  1.031574  0.381254  1
  P  P94  1  0.033171  0.376142  0.361179  1
  P  P95  1  0.022492  0.698241  0.381254  1
  P  P96  1  0.042661  1.054501  0.339787  1
  P  P97  1  0.355825  0.364907  0.381254  1
  P  P98  1  0.375995  0.721168  0.339787  1
  P  P99  1  0.709328  0.387835  0.339787  1
  P  P100  1  0.266705  0.976465  0.330219  1
  P  P101  1  0.600039  0.643131  0.330219  1
  P  P102  1  0.587282  0.964179  0.351324  1
  P  P103  1  0.933372  0.309798  0.330219  1
  P  P104  1  0.920616  0.630845  0.351324  1
  P  P105  1  0.909069  0.952354  0.372569  1
  P  P106  1  0.253949  0.297512  0.351324  1
  P  P107  1  0.242403  0.619021  0.372569  1
  P  P108  1  0.575736  0.285687  0.372569  1
  P  P109  1  0.189274  1.032091  0.381864  1
  P  P110  1  0.522607  0.698758  0.381864  1
  P  P111  1  0.543085  1.053051  0.339701  1
  P  P112  1  0.855941  0.365425  0.381864  1
  P  P113  1  0.876419  0.719718  0.339701  1
  P  P114  1  0.864783  1.042832  0.360149  1
  P  P115  1  0.209752  0.386384  0.339701  1
  P  P116  1  0.198117  0.709498  0.360149  1
  P  P117  1  0.531450  0.376165  0.360149  1
  P  P118  1  0.089358  0.963921  0.351637  1
  P  P119  1  0.422692  0.630588  0.351637  1
  P  P120  1  0.409876  0.953470  0.372144  1
  P  P121  1  0.756025  0.297254  0.351637  1
  P  P122  1  0.743209  0.620136  0.372144  1
  P  P123  1  0.766436  0.973292  0.330469  1
  P  P124  1  0.076543  0.286803  0.372144  1
  P  P125  1  0.099770  0.639959  0.330469  1
  P  P126  1  0.433103  0.306625  0.330469  1
  P  P127  1  0.355941  0.865424  0.381864  1
  P  P128  1  0.689274  0.532091  0.381864  1
  P  P129  1  0.709752  0.886384  0.339701  1
  P  P130  1  0.022607  0.198758  0.381864  1
  P  P131  1  0.043086  0.553051  0.339701  1
  P  P132  1  0.031450  0.876165  0.360149  1
  P  P133  1  0.376419  0.219718  0.339701  1
  P  P134  1  0.364784  0.542832  0.360149  1
  P  P135  1  0.698117  0.209499  0.360149  1
  P  P136  1  0.243209  1.120136  0.372144  1
  P  P137  1  0.576543  0.786803  0.372144  1
  P  P138  1  0.599770  1.139959  0.330469  1
  P  P139  1  0.909876  0.453470  0.372144  1
  P  P140  1  0.933103  0.806625  0.330469  1
  P  P141  1  0.922692  1.130588  0.351637  1
  P  P142  1  0.266436  0.473292  0.330469  1
  P  P143  1  0.256025  0.797254  0.351637  1
  P  P144  1  0.589359  0.463921  0.351637  1
  P  P145  1  0.178052  0.853956  0.402332  1
  P  P146  1  0.511386  0.520623  0.402332  1
  P  P147  1  0.501533  0.842848  0.423956  1
  P  P148  1  0.844719  0.187289  0.402332  1
  P  P149  1  0.834867  0.509514  0.423956  1
  P  P150  1  0.823834  0.831626  0.444954  1
  P  P151  1  0.168200  0.176181  0.423956  1
  P  P152  1  0.157168  0.498293  0.444954  1
  P  P153  1  0.490501  0.164959  0.444954  1
  P  P154  1  0.065369  1.109005  0.393733  1
  P  P155  1  0.398702  0.775671  0.393733  1
  P  P156  1  0.386035  1.097681  0.414884  1
  P  P157  1  0.732035  0.442338  0.393733  1
  P  P158  1  0.719368  0.764347  0.414884  1
  P  P159  1  0.707805  1.086234  0.435729  1
  P  P160  1  0.052702  0.431014  0.414884  1
  P  P161  1  0.041138  0.752901  0.435729  1
  P  P162  1  0.374471  0.419568  0.435729  1
  P  P163  1  0.334867  1.009514  0.423956  1
  P  P164  1  0.668200  0.676181  0.423956  1
  P  P165  1  0.657167  0.998293  0.444954  1
  P  P166  1  1.001533  0.342848  0.423956  1
  P  P167  1  0.990501  0.664959  0.444954  1
  P  P168  1  0.011386  1.020623  0.402332  1
  P  P169  1  0.323834  0.331626  0.444954  1
  P  P170  1  0.344719  0.687289  0.402332  1
  P  P171  1  0.678052  0.353956  0.402332  1
  P  P172  1  0.232035  0.942338  0.393733  1
  P  P173  1  0.565369  0.609005  0.393733  1
  P  P174  1  0.552701  0.931014  0.414884  1
  P  P175  1  0.898702  0.275671  0.393733  1
  P  P176  1  0.886035  0.597681  0.414884  1
  P  P177  1  0.874471  0.919568  0.435729  1
  P  P178  1  0.219368  0.264347  0.414884  1
  P  P179  1  0.207805  0.586234  0.435729  1
  P  P180  1  0.541138  0.252901  0.435729  1
  P  P181  1  0.156542  0.998274  0.444657  1
  P  P182  1  0.489875  0.664940  0.444657  1
  P  P183  1  0.512503  1.020587  0.402979  1
  P  P184  1  0.823209  0.331607  0.444657  1
  P  P185  1  0.845837  0.687254  0.402979  1
  P  P186  1  0.834340  1.009432  0.423550  1
  P  P187  1  0.179170  0.353920  0.402979  1
  P  P188  1  0.167673  0.676099  0.423550  1
  P  P189  1  0.501007  0.342766  0.423550  1
  P  P190  1  0.052992  0.930803  0.414567  1
  P  P191  1  0.386325  0.597469  0.414567  1
  P  P192  1  0.375008  0.919784  0.435864  1
  P  P193  1  0.719659  0.264136  0.414567  1
  P  P194  1  0.708342  0.586451  0.435863  1
  P  P195  1  0.730439  0.941942  0.393753  1
  P  P196  1  0.041675  0.253117  0.435864  1
  P  P197  1  0.063772  0.608608  0.393753  1
  P  P198  1  0.397106  0.275275  0.393753  1
  P  P199  1  0.323209  0.831607  0.444657  1
  P  P200  1  0.656542  0.498274  0.444657  1
  P  P201  1  0.679170  0.853920  0.402979  1
  P  P202  1  0.989875  0.164940  0.444657  1
  P  P203  1  0.012503  0.520587  0.402979  1
  P  P204  1  1.001007  0.842766  0.423550  1
  P  P205  1  0.345837  0.187253  0.402979  1
  P  P206  1  0.334340  0.509432  0.423550  1
  P  P207  1  0.667673  0.176099  0.423550  1
  P  P208  1  0.208341  1.086451  0.435864  1
  P  P209  1  0.541675  0.753117  0.435864  1
  P  P210  1  0.563772  1.108608  0.393753  1
  P  P211  1  0.875008  0.419784  0.435864  1
  P  P212  1  0.897106  0.775275  0.393753  1
  P  P213  1  0.886325  1.097469  0.414567  1
  P  P214  1  0.230439  0.441942  0.393753  1
  P  P215  1  0.219659  0.764136  0.414567  1
  P  P216  1  0.552992  0.430803  0.414567  1
  P  P217  1  0.145507  0.820279  0.465714  1
  P  P218  1  0.478840  0.486945  0.465714  1
  P  P219  1  0.467518  0.809018  0.486850  1
  P  P220  1  0.812173  0.153612  0.465714  1
  P  P221  1  0.800852  0.475685  0.486850  1
  P  P222  1  0.789788  0.797867  0.508261  1
  P  P223  1  0.134185  0.142352  0.486850  1
  P  P224  1  0.123121  0.464534  0.508261  1
  P  P225  1  0.456455  1.131200  0.508261  1
  P  P226  1  0.029735  1.075022  0.456707  1
  P  P227  1  0.363069  0.741689  0.456707  1
  P  P228  1  0.351997  1.063867  0.478119  1
  P  P229  1  0.696402  0.408355  0.456707  1
  P  P230  1  0.685330  0.730533  0.478119  1
  P  P231  1  0.673995  1.052609  0.499250  1
  P  P232  1  0.018664  0.397200  0.478119  1
  P  P233  1  1.007329  0.719276  0.499250  1
  P  P234  1  0.340662  0.385943  0.499250  1
  P  P235  1  0.300852  0.975685  0.486850  1
  P  P236  1  0.634185  0.642352  0.486850  1
  P  P237  1  0.623121  0.964534  0.508261  1
  P  P238  1  0.967518  0.309018  0.486850  1
  P  P239  1  0.956455  0.631200  0.508261  1
  P  P240  1  0.978840  0.986945  0.465714  1
  P  P241  1  0.289788  0.297867  0.508261  1
  P  P242  1  0.312173  0.653612  0.465714  1
  P  P243  1  0.645507  0.320279  0.465714  1
  P  P244  1  0.196402  0.908355  0.456707  1
  P  P245  1  0.529735  0.575022  0.456707  1
  P  P246  1  0.518664  0.897200  0.478119  1
  P  P247  1  0.863069  0.241689  0.456707  1
  P  P248  1  0.851997  0.563867  0.478119  1
  P  P249  1  0.840662  0.885943  0.499250  1
  P  P250  1  0.185330  0.230533  0.478119  1
  P  P251  1  0.173995  0.552609  0.499250  1
  P  P252  1  0.507328  0.219276  0.499250  1
  P  P253  1  0.122922  0.964387  0.507867  1
  P  P254  1  0.456255  0.631053  0.507867  1
  P  P255  1  0.479275  0.987035  0.466097  1
  P  P256  1  0.789588  0.297720  0.507867  1
  P  P257  1  0.812608  0.653701  0.466097  1
  P  P258  1  0.801278  0.975752  0.487068  1
  P  P259  1  0.145942  0.320368  0.466097  1
  P  P260  1  0.134611  0.642419  0.487068  1
  P  P261  1  0.467944  0.309085  0.487068  1
  P  P262  1  0.018231  0.897132  0.477894  1
  P  P263  1  0.351564  0.563799  0.477894  1
  P  P264  1  0.340243  0.885850  0.498874  1
  P  P265  1  0.684898  0.230466  0.477894  1
  P  P266  1  0.673576  0.552516  0.498874  1
  P  P267  1  0.696587  0.908498  0.457097  1
  P  P268  1  1.006909  0.219183  0.498874  1
  P  P269  1  0.029920  0.575165  0.457097  1
  P  P270  1  0.363253  0.241832  0.457097  1
  P  P271  1  0.289588  0.797720  0.507867  1
  P  P272  1  0.622922  0.464387  0.507867  1
  P  P273  1  0.645942  0.820368  0.466097  1
  P  P274  1  0.956255  1.131053  0.507867  1
  P  P275  1  0.979275  0.487035  0.466097  1
  P  P276  1  0.967944  0.809085  0.487068  1
  P  P277  1  0.312608  0.153701  0.466097  1
  P  P278  1  0.301278  0.475752  0.487068  1
  P  P279  1  0.634611  0.142419  0.487068  1
  P  P280  1  0.173576  1.052516  0.498874  1
  P  P281  1  0.506909  0.719183  0.498874  1
  P  P282  1  0.529920  1.075165  0.457097  1
  P  P283  1  0.840243  0.385850  0.498874  1
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  P  P504  1  0.424103  0.300021  0.667714  1
