# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.73377706
_cell_length_b   15.56819639
_cell_length_c   41.86177536
_cell_angle_alpha   90.00000000
_cell_angle_beta   96.34273726
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P335
_cell_volume   13429.7462763
_cell_formula_units_Z   335
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  0.277058  0.199380  0.966947  1
  P  P2  1  0.277058  0.699380  0.966947  1
  P  P3  1  0.777058  0.199380  0.966947  1
  P  P4  1  0.777058  0.699380  0.966947  1
  P  P5  1  0.129368  0.283627  0.975236  1
  P  P6  1  0.129368  0.783627  0.975236  1
  P  P7  1  0.629368  0.283627  0.975236  1
  P  P8  1  0.629368  0.783627  0.975236  1
  P  P9  1  0.018072  0.050815  0.354655  1
  P  P10  1  0.017202  0.549469  0.354424  1
  P  P11  1  0.515448  0.049611  0.354649  1
  P  P12  1  0.518394  0.552249  0.354758  1
  P  P13  1  0.270255  0.408314  0.528164  1
  P  P14  1  0.270166  0.909303  0.528625  1
  P  P15  1  0.769986  0.408751  0.528036  1
  P  P16  1  0.770284  0.908535  0.528045  1
  P  P17  1  0.020271  0.158784  0.528573  1
  P  P18  1  0.020484  0.658684  0.528544  1
  P  P19  1  0.520334  0.159036  0.528757  1
  P  P20  1  0.520576  0.658896  0.528721  1
  P  P21  1  0.402183  0.323472  0.966781  1
  P  P22  1  0.402183  0.823472  0.966781  1
  P  P23  1  0.902183  0.323472  0.966781  1
  P  P24  1  0.902183  0.823472  0.966781  1
  P  P25  1  0.263572  0.042740  0.589053  1
  P  P26  1  0.263563  0.541868  0.588924  1
  P  P27  1  0.763696  0.042198  0.588798  1
  P  P28  1  0.763418  0.542404  0.588693  1
  P  P29  1  0.265526  0.794819  0.353870  1
  P  P30  1  0.767879  0.300979  0.354056  1
  P  P31  1  0.768452  0.802472  0.354136  1
  P  P32  1  0.240989  0.331205  0.598022  1
  P  P33  1  0.241271  0.831573  0.598467  1
  P  P34  1  0.741223  0.331823  0.598210  1
  P  P35  1  0.741140  0.831505  0.598011  1
  P  P36  1  0.115749  0.457353  0.598309  1
  P  P37  1  0.115736  0.957318  0.598106  1
  P  P38  1  0.615480  0.457532  0.597948  1
  P  P39  1  0.615988  0.957815  0.598447  1
  P  P40  1  0.373417  0.074184  0.537288  1
  P  P41  1  0.373127  0.573713  0.537025  1
  P  P42  1  0.873286  0.073822  0.536967  1
  P  P43  1  0.873210  0.573966  0.536931  1
  P  P44  1  0.387912  0.059291  0.089958  1
  P  P45  1  0.387912  0.559291  0.089958  1
  P  P46  1  0.887912  0.059291  0.089958  1
  P  P47  1  0.887912  0.559291  0.089958  1
  P  P48  1  0.145681  0.044655  0.854257  1
  P  P49  1  0.145681  0.544655  0.854257  1
  P  P50  1  0.645681  0.044655  0.854257  1
  P  P51  1  0.645681  0.544655  0.854257  1
  P  P52  1  0.507391  0.050518  0.149324  1
  P  P53  1  0.507391  0.550518  0.149324  1
  P  P54  1  1.007391  0.050518  0.149324  1
  P  P55  1  1.007391  0.550518  0.149324  1
  P  P56  1  0.391368  0.301615  0.853963  1
  P  P57  1  0.391368  0.801615  0.853963  1
  P  P58  1  0.891368  0.301615  0.853963  1
  P  P59  1  0.891368  0.801615  0.853963  1
  P  P60  1  0.234302  0.464469  0.657350  1
  P  P61  1  0.232975  0.966858  0.657373  1
  P  P62  1  0.732546  0.467100  0.657149  1
  P  P63  1  0.734599  0.965018  0.657328  1
  P  P64  1  0.122672  0.323357  0.537043  1
  P  P65  1  0.122788  0.823017  0.537164  1
  P  P66  1  0.622613  0.323467  0.537099  1
  P  P67  1  0.622599  0.823529  0.537247  1
  P  P68  1  0.409968  0.018387  0.406796  1
  P  P69  1  0.406584  0.517903  0.404415  1
  P  P70  1  0.908716  0.017394  0.405485  1
  P  P71  1  0.909260  0.517323  0.405694  1
  P  P72  1  0.504387  0.158895  0.975308  1
  P  P73  1  0.504387  0.658895  0.975308  1
  P  P74  1  1.004387  0.158895  0.975308  1
  P  P75  1  1.004387  0.658895  0.975308  1
  P  P76  1  0.020268  0.316236  0.028658  1
  P  P77  1  0.020268  0.816236  0.028658  1
  P  P78  1  0.520268  0.316236  0.028658  1
  P  P79  1  0.520268  0.816236  0.028658  1
  P  P80  1  0.136742  0.415840  0.914008  1
  P  P81  1  0.136742  0.915840  0.914008  1
  P  P82  1  0.636742  0.415840  0.914008  1
  P  P83  1  0.636742  0.915840  0.914008  1
  P  P84  1  0.026958  0.448628  0.966746  1
  P  P85  1  0.026958  0.948628  0.966746  1
  P  P86  1  0.526958  0.448628  0.966746  1
  P  P87  1  0.526958  0.948628  0.966746  1
  P  P88  1  0.136777  0.058881  0.414301  1
  P  P89  1  0.137850  0.558912  0.413000  1
  P  P90  1  0.636453  0.059445  0.413853  1
  P  P91  1  0.636858  0.559333  0.414122  1
  P  P92  1  0.138418  0.165838  0.590447  1
  P  P93  1  0.138370  0.665717  0.590503  1
  P  P94  1  0.638506  0.166108  0.590391  1
  P  P95  1  0.638536  0.665783  0.590515  1
  P  P96  1  0.143749  0.425874  0.354264  1
  P  P97  1  0.147601  0.931655  0.354424  1
  P  P98  1  0.645793  0.430736  0.354330  1
  P  P99  1  0.644957  0.930299  0.354246  1
  P  P100  1  1.011117  0.183554  0.413802  1
  P  P101  1  1.011480  0.683314  0.413588  1
  P  P102  1  0.511224  0.184327  0.413698  1
  P  P103  1  0.510673  0.683811  0.413980  1
  P  P104  1  0.378973  0.430476  0.149708  1
  P  P105  1  0.378973  0.930476  0.149708  1
  P  P106  1  0.878973  0.430476  0.149708  1
  P  P107  1  0.878973  0.930476  0.149708  1
  P  P108  1  0.390031  0.172304  0.354656  1
  P  P109  1  0.392000  0.675283  0.354024  1
  P  P110  1  0.891404  0.173301  0.353932  1
  P  P111  1  0.891417  0.673290  0.353893  1
  P  P112  1  0.247596  0.275752  0.037018  1
  P  P113  1  0.247596  0.775752  0.037018  1
  P  P114  1  0.747596  0.275752  0.037018  1
  P  P115  1  0.747596  0.775752  0.037018  1
  P  P116  1  0.240983  0.143453  0.098167  1
  P  P117  1  0.240983  0.643453  0.098167  1
  P  P118  1  0.740983  0.143453  0.098167  1
  P  P119  1  0.740983  0.643453  0.098167  1
  P  P120  1  0.395303  0.284063  0.528577  1
  P  P121  1  0.395703  0.783668  0.529248  1
  P  P122  1  0.895341  0.283554  0.528605  1
  P  P123  1  0.895460  0.783422  0.528573  1
  P  P124  1  0.026675  0.026335  0.466696  1
  P  P125  1  0.027546  0.526426  0.466535  1
  P  P126  1  0.527419  0.026888  0.467057  1
  P  P127  1  0.526224  0.526351  0.466354  1
  P  P128  1  0.133286  0.173516  0.150003  1
  P  P129  1  0.133286  0.673516  0.150003  1
  P  P130  1  0.633286  0.173516  0.150003  1
  P  P131  1  0.633286  0.673516  0.150003  1
  P  P132  1  1.011151  0.291252  0.913794  1
  P  P133  1  1.011151  0.791252  0.913794  1
  P  P134  1  0.511151  0.291252  0.913794  1
  P  P135  1  0.511151  0.791252  0.913794  1
  P  P136  1  0.388116  0.415779  0.590045  1
  P  P137  1  0.388186  0.915958  0.590275  1
  P  P138  1  0.887983  0.415736  0.589744  1
  P  P139  1  0.888136  0.915635  0.589899  1
  P  P140  1  0.366155  0.206527  0.598789  1
  P  P141  1  0.366023  0.706104  0.599028  1
  P  P142  1  0.866092  0.206341  0.598716  1
  P  P143  1  0.866057  0.706189  0.598634  1
  P  P144  1  0.158797  0.267779  0.405645  1
  P  P145  1  0.157972  0.769377  0.405502  1
  P  P146  1  0.658251  0.269343  0.405180  1
  P  P147  1  0.658731  0.768451  0.405087  1
  P  P148  1  0.497532  0.448641  0.536910  1
  P  P149  1  0.498056  0.948783  0.537557  1
  P  P150  1  0.997900  0.448551  0.537105  1
  P  P151  1  0.997898  0.948205  0.537096  1
  P  P152  1  0.497696  0.026504  0.037220  1
  P  P153  1  0.497696  0.526504  0.037220  1
  P  P154  1  0.997696  0.026504  0.037220  1
  P  P155  1  0.997696  0.526504  0.037220  1
  P  P156  1  0.034851  0.081811  0.905403  1
  P  P157  1  0.034851  0.581811  0.905403  1
  P  P158  1  0.534851  0.081811  0.905403  1
  P  P159  1  0.534851  0.581811  0.905403  1
  P  P160  1  0.276966  0.275983  0.466672  1
  P  P161  1  0.277300  0.776921  0.468068  1
  P  P162  1  0.776933  0.275931  0.466924  1
  P  P163  1  0.777125  0.775499  0.466782  1
  P  P164  1  0.254609  0.408731  0.975819  1
  P  P165  1  0.254609  0.908731  0.975819  1
  P  P166  1  0.754609  0.408731  0.975819  1
  P  P167  1  0.754609  0.908731  0.975819  1
  P  P168  1  0.297784  -0.000419  0.347244  1
  P  P169  1  0.274691  0.535221  0.346630  1
  P  P170  1  0.789666  0.010623  0.346596  1
  P  P171  1  0.791879  0.508103  0.346597  1
  P  P172  1  0.034915  0.392898  0.405417  1
  P  P173  1  0.034637  0.893655  0.405231  1
  P  P174  1  0.533619  0.394212  0.405203  1
  P  P175  1  0.535057  0.893157  0.405586  1
  P  P176  1  0.270045  0.066401  0.028147  1
  P  P177  1  0.270045  0.566401  0.028147  1
  P  P178  1  0.770045  0.066401  0.028147  1
  P  P179  1  0.770045  0.566401  0.028147  1
  P  P180  1  0.365886  0.268733  0.098792  1
  P  P181  1  0.365886  0.768733  0.098792  1
  P  P182  1  0.865886  0.268733  0.098792  1
  P  P183  1  0.865886  0.768733  0.098792  1
  P  P184  1  0.151561  0.074054  0.966906  1
  P  P185  1  0.151561  0.574054  0.966906  1
  P  P186  1  0.651561  0.074054  0.966906  1
  P  P187  1  0.651561  0.574054  0.966906  1
  P  P188  1  0.129449  0.191349  0.475335  1
  P  P189  1  0.129875  0.690618  0.475102  1
  P  P190  1  0.629576  0.191478  0.475254  1
  P  P191  1  0.629200  0.691527  0.475187  1
  P  P192  1  0.256439  0.301640  0.149871  1
  P  P193  1  0.256439  0.801640  0.149871  1
  P  P194  1  0.756439  0.301640  0.149871  1
  P  P195  1  0.756439  0.801640  0.149871  1
  P  P196  1  0.395286  0.191505  0.028730  1
  P  P197  1  0.395286  0.691505  0.028730  1
  P  P198  1  0.895286  0.191505  0.028730  1
  P  P199  1  0.895286  0.691505  0.028730  1
  P  P200  1  0.261258  0.042388  0.915127  1
  P  P201  1  0.261258  0.542388  0.915127  1
  P  P202  1  0.761258  0.042388  0.915127  1
  P  P203  1  0.761258  0.542388  0.915127  1
  P  P204  1  0.261304  0.432597  0.413652  1
  P  P205  1  0.261379  0.931412  0.415292  1
  P  P206  1  0.761390  0.432640  0.415085  1
  P  P207  1  0.761101  0.932816  0.415075  1
  P  P208  1  0.017263  0.424613  0.854642  1
  P  P209  1  0.017263  0.924613  0.854642  1
  P  P210  1  0.517263  0.424613  0.854642  1
  P  P211  1  0.517263  0.924613  0.854642  1
  P  P212  1  0.256759  0.174177  0.650010  1
  P  P213  1  0.256248  0.672411  0.649922  1
  P  P214  1  0.756504  0.172920  0.649760  1
  P  P215  1  0.756937  0.674039  0.649843  1
  P  P216  1  0.504391  0.316035  0.475242  1
  P  P217  1  0.504484  0.816722  0.475471  1
  P  P218  1  1.004615  0.316177  0.475240  1
  P  P219  1  1.004764  0.815715  0.475138  1
  P  P220  1  0.291225  0.465988  0.846669  1
  P  P221  1  0.291225  0.965988  0.846669  1
  P  P222  1  0.791225  0.465988  0.846669  1
  P  P223  1  0.791225  0.965988  0.846669  1
  P  P224  1  0.386350  0.165952  0.913500  1
  P  P225  1  0.386350  0.665952  0.913500  1
  P  P226  1  0.886350  0.165952  0.913500  1
  P  P227  1  0.886350  0.665952  0.913500  1
  P  P228  1  0.263396  0.432744  0.088838  1
  P  P229  1  0.263396  0.932744  0.088838  1
  P  P230  1  0.763396  0.432744  0.088838  1
  P  P231  1  0.763396  0.932744  0.088838  1
  P  P232  1  0.158768  0.206399  0.905173  1
  P  P233  1  0.158768  0.706399  0.905173  1
  P  P234  1  0.658768  0.206399  0.905173  1
  P  P235  1  0.658768  0.706399  0.905173  1
  P  P236  1  0.513503  0.183879  0.090172  1
  P  P237  1  0.513503  0.683879  0.090172  1
  P  P238  1  0.013503  0.183879  0.090172  1
  P  P239  1  0.013503  0.683879  0.090172  1
  P  P240  1  0.115554  0.017483  0.098225  1
  P  P241  1  0.115554  0.517483  0.098225  1
  P  P242  1  0.615554  0.017483  0.098225  1
  P  P243  1  0.615554  0.517483  0.098225  1
  P  P244  1  0.513601  0.291451  0.590093  1
  P  P245  1  0.513874  0.791222  0.590418  1
  P  P246  1  0.013633  0.291155  0.590028  1
  P  P247  1  0.013656  0.790994  0.590110  1
  P  P248  1  0.133151  0.301296  0.649996  1
  P  P249  1  0.133505  0.801502  0.650039  1
  P  P250  1  0.633523  0.301601  0.649911  1
  P  P251  1  0.633640  0.801635  0.650089  1
  P  P252  1  0.379526  0.441196  0.474958  1
  P  P253  1  0.380166  0.940934  0.476216  1
  P  P254  1  0.880153  0.440863  0.475642  1
  P  P255  1  0.880013  0.940723  0.475571  1
  P  P256  1  0.373093  0.401078  0.037060  1
  P  P257  1  0.373093  0.901078  0.037060  1
  P  P258  1  0.873093  0.401078  0.037060  1
  P  P259  1  0.873093  0.901078  0.037060  1
  P  P260  1  0.233429  0.009143  0.157297  1
  P  P261  1  0.233429  0.509143  0.157297  1
  P  P262  1  0.733429  0.009143  0.157297  1
  P  P263  1  0.733429  0.509143  0.157297  1
  P  P264  1  0.268215  0.173492  0.854095  1
  P  P265  1  0.268215  0.673492  0.854095  1
  P  P266  1  0.768215  0.173492  0.854095  1
  P  P267  1  0.768215  0.673492  0.854095  1
  P  P268  1  0.283671  0.331678  0.905799  1
  P  P269  1  0.283671  0.831678  0.905799  1
  P  P270  1  0.783671  0.331678  0.905799  1
  P  P271  1  0.783671  0.831678  0.905799  1
  P  P272  1  0.379897  0.034167  0.975716  1
  P  P273  1  0.379897  0.534167  0.975716  1
  P  P274  1  0.879897  0.034167  0.975716  1
  P  P275  1  0.879897  0.534167  0.975716  1
  P  P276  1  0.152053  0.401351  0.466530  1
  P  P277  1  0.151418  0.901188  0.467131  1
  P  P278  1  0.651181  0.401216  0.466759  1
  P  P279  1  0.651750  0.901055  0.466904  1
  P  P280  1  0.409100  0.457648  0.905741  1
  P  P281  1  0.409100  0.957648  0.905741  1
  P  P282  1  0.909100  0.457648  0.905741  1
  P  P283  1  0.909100  0.957648  0.905741  1
  P  P284  1  0.490173  0.082024  0.598814  1
  P  P285  1  0.489859  0.581680  0.598459  1
  P  P286  1  0.990024  0.081606  0.598426  1
  P  P287  1  0.989922  0.581499  0.598470  1
  P  P288  1  0.122471  0.151659  0.037185  1
  P  P289  1  0.122471  0.651659  0.037185  1
  P  P290  1  0.622471  0.151659  0.037185  1
  P  P291  1  0.622471  0.651659  0.037185  1
  P  P292  1  0.138304  0.309179  0.090466  1
  P  P293  1  0.138304  0.809179  0.090466  1
  P  P294  1  0.638304  0.309179  0.090466  1
  P  P295  1  0.638304  0.809179  0.090466  1
  P  P296  1  0.386146  0.307753  0.413802  1
  P  P297  1  0.386471  0.810783  0.413330  1
  P  P298  1  0.886346  0.309070  0.413403  1
  P  P299  1  0.886539  0.808895  0.413471  1
  P  P300  1  0.144808  0.034235  0.528256  1
  P  P301  1  0.144878  0.533739  0.528339  1
  P  P302  1  0.645034  0.034116  0.528355  1
  P  P303  1  0.644646  0.534157  0.528025  1
  P  P304  1  0.401896  0.151856  0.466932  1
  P  P305  1  0.402900  0.652182  0.467173  1
  P  P306  1  0.902073  0.151632  0.466680  1
  P  P307  1  0.902409  0.651389  0.466641  1
  P  P308  1  0.489803  0.393320  0.098563  1
  P  P309  1  0.489803  0.893320  0.098563  1
  P  P310  1  0.989803  0.393320  0.098563  1
  P  P311  1  0.989803  0.893320  0.098563  1
  P  P312  1  0.254922  0.066308  0.475654  1
  P  P313  1  0.254502  0.565211  0.476042  1
  P  P314  1  0.754638  0.066313  0.475806  1
  P  P315  1  0.754751  0.566340  0.475707  1
  P  P316  1  0.144757  0.440964  0.028249  1
  P  P317  1  0.144757  0.940964  0.028249  1
  P  P318  1  0.644757  0.440964  0.028249  1
  P  P319  1  0.644757  0.940964  0.028249  1
  P  P320  1  0.283063  0.141982  0.405159  1
  P  P321  1  0.284744  0.647116  0.408414  1
  P  P322  1  0.783378  0.143775  0.405895  1
  P  P323  1  0.783708  0.643266  0.405571  1
  P  P324  1  0.379070  0.044933  0.649882  1
  P  P325  1  0.379357  0.544462  0.649839  1
  P  P326  1  0.879503  0.044792  0.649641  1
  P  P327  1  0.878767  0.544219  0.649542  1
  P  P328  1  0.507919  0.424817  0.649343  1
  P  P329  1  0.507678  0.924788  0.649511  1
  P  P330  1  1.007134  0.424170  0.649220  1
  P  P331  1  1.007735  0.924541  0.649252  1
  P  P332  1  0.247877  0.199058  0.536880  1
  P  P333  1  0.247750  0.698988  0.537358  1
  P  P334  1  0.747838  0.199372  0.537036  1
  P  P335  1  0.747609  0.699262  0.536868  1
