# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.75941504
_cell_length_b   15.54689722
_cell_length_c   41.85927641
_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   13427.1547763
_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  0.276392  0.199949  0.966979  1
  P  P2  1  0.276392  0.699949  0.966979  1
  P  P3  1  0.776392  0.199949  0.966979  1
  P  P4  1  0.776392  0.699949  0.966979  1
  P  P5  1  0.128811  0.284346  0.975260  1
  P  P6  1  0.128811  0.784346  0.975260  1
  P  P7  1  0.628811  0.284346  0.975260  1
  P  P8  1  0.628811  0.784346  0.975260  1
  P  P9  1  0.016711  0.050901  0.355088  1
  P  P10  1  0.016618  0.551084  0.355074  1
  P  P11  1  0.516384  0.050876  0.355047  1
  P  P12  1  0.516609  0.551092  0.355047  1
  P  P13  1  0.269348  0.408588  0.528293  1
  P  P14  1  0.269187  0.909435  0.529485  1
  P  P15  1  0.769125  0.409179  0.528500  1
  P  P16  1  0.768973  0.909131  0.528480  1
  P  P17  1  0.019313  0.159122  0.529146  1
  P  P18  1  0.019131  0.658857  0.528857  1
  P  P19  1  0.519340  0.159338  0.528981  1
  P  P20  1  0.519403  0.659440  0.529047  1
  P  P21  1  0.401521  0.324058  0.966806  1
  P  P22  1  0.401521  0.824058  0.966806  1
  P  P23  1  0.901521  0.324058  0.966806  1
  P  P24  1  0.901521  0.824058  0.966806  1
  P  P25  1  0.262570  0.541844  0.589140  1
  P  P26  1  0.762464  0.042732  0.589233  1
  P  P27  1  0.762455  0.542710  0.589239  1
  P  P28  1  0.267644  0.302456  0.354635  1
  P  P29  1  0.267071  0.801145  0.354511  1
  P  P30  1  0.767532  0.301989  0.354476  1
  P  P31  1  0.767473  0.802035  0.354448  1
  P  P32  1  0.239971  0.331423  0.597773  1
  P  P33  1  0.239500  0.831571  0.599431  1
  P  P34  1  0.740228  0.331880  0.598523  1
  P  P35  1  0.740207  0.831720  0.598567  1
  P  P36  1  0.115335  0.457596  0.599121  1
  P  P37  1  0.114474  0.956771  0.599106  1
  P  P38  1  0.614806  0.458106  0.598611  1
  P  P39  1  0.615013  0.957663  0.598624  1
  P  P40  1  0.372101  0.073764  0.537822  1
  P  P41  1  0.372207  0.574527  0.537537  1
  P  P42  1  0.872366  0.074293  0.537479  1
  P  P43  1  0.872398  0.574147  0.537482  1
  P  P44  1  0.387185  0.059969  0.090008  1
  P  P45  1  0.387185  0.559969  0.090008  1
  P  P46  1  0.887185  0.059969  0.090008  1
  P  P47  1  0.887185  0.559969  0.090008  1
  P  P48  1  0.145135  0.045233  0.854246  1
  P  P49  1  0.145135  0.545233  0.854246  1
  P  P50  1  0.645135  0.045233  0.854246  1
  P  P51  1  0.645135  0.545233  0.854246  1
  P  P52  1  0.506623  0.051358  0.149388  1
  P  P53  1  0.506623  0.551358  0.149388  1
  P  P54  1  1.006623  0.051358  0.149388  1
  P  P55  1  1.006623  0.551358  0.149388  1
  P  P56  1  0.390834  0.302161  0.853952  1
  P  P57  1  0.390834  0.802161  0.853952  1
  P  P58  1  0.890834  0.302161  0.853952  1
  P  P59  1  0.890834  0.802161  0.853952  1
  P  P60  1  0.236631  0.459977  0.657823  1
  P  P61  1  0.262347  0.042037  0.590953  1
  P  P62  1  0.732679  0.465946  0.657717  1
  P  P63  1  0.732604  0.966115  0.657733  1
  P  P64  1  0.121692  0.323416  0.537504  1
  P  P65  1  0.121764  0.823890  0.537849  1
  P  P66  1  0.621741  0.323876  0.537519  1
  P  P67  1  0.621676  0.823701  0.537554  1
  P  P68  1  0.408325  0.017802  0.406277  1
  P  P69  1  0.408082  0.517787  0.406057  1
  P  P70  1  0.908357  0.017928  0.406145  1
  P  P71  1  0.908246  0.517850  0.406060  1
  P  P72  1  0.503834  0.159602  0.975330  1
  P  P73  1  0.503834  0.659602  0.975330  1
  P  P74  1  1.003834  0.159602  0.975330  1
  P  P75  1  1.003834  0.659602  0.975330  1
  P  P76  1  0.019568  0.316865  0.028696  1
  P  P77  1  0.019568  0.816865  0.028696  1
  P  P78  1  0.519568  0.316865  0.028696  1
  P  P79  1  0.519568  0.816865  0.028696  1
  P  P80  1  0.136217  0.416498  0.914018  1
  P  P81  1  0.136217  0.916498  0.914018  1
  P  P82  1  0.636217  0.416498  0.914018  1
  P  P83  1  0.636217  0.916498  0.914018  1
  P  P84  1  0.026287  0.449213  0.966766  1
  P  P85  1  0.026287  0.949213  0.966766  1
  P  P86  1  0.526287  0.449213  0.966766  1
  P  P87  1  0.526287  0.949213  0.966766  1
  P  P88  1  0.136067  0.059320  0.414519  1
  P  P89  1  0.136057  0.559653  0.414450  1
  P  P90  1  0.635979  0.059653  0.414370  1
  P  P91  1  0.636008  0.559650  0.414378  1
  P  P92  1  0.137341  0.166386  0.590863  1
  P  P93  1  0.136963  0.665662  0.590258  1
  P  P94  1  0.637639  0.166427  0.590799  1
  P  P95  1  0.637390  0.666412  0.590866  1
  P  P96  1  0.144690  0.430522  0.354724  1
  P  P97  1  0.145057  0.930750  0.354711  1
  P  P98  1  0.644962  0.430905  0.354629  1
  P  P99  1  0.644964  0.931025  0.354603  1
  P  P100  1  1.010529  0.184025  0.414282  1
  P  P101  1  1.010457  0.684201  0.414279  1
  P  P102  1  0.510363  0.184158  0.414226  1
  P  P103  1  0.510298  0.684200  0.414207  1
  P  P104  1  0.378267  0.431234  0.149779  1
  P  P105  1  0.378267  0.931234  0.149779  1
  P  P106  1  0.878267  0.431234  0.149779  1
  P  P107  1  0.878267  0.931234  0.149779  1
  P  P108  1  0.390466  0.173756  0.354422  1
  P  P109  1  0.390567  0.673949  0.354414  1
  P  P110  1  0.890792  0.173963  0.354382  1
  P  P111  1  0.890694  0.674016  0.354362  1
  P  P112  1  0.247010  0.276518  0.037047  1
  P  P113  1  0.247010  0.776518  0.037047  1
  P  P114  1  0.747010  0.276518  0.037047  1
  P  P115  1  0.747010  0.776518  0.037047  1
  P  P116  1  0.240324  0.144260  0.098192  1
  P  P117  1  0.240324  0.644260  0.098192  1
  P  P118  1  0.740324  0.144260  0.098192  1
  P  P119  1  0.740324  0.644260  0.098192  1
  P  P120  1  0.394433  0.283940  0.529022  1
  P  P121  1  0.394449  0.784142  0.529400  1
  P  P122  1  0.894401  0.284054  0.529117  1
  P  P123  1  0.894100  0.783863  0.528967  1
  P  P124  1  0.026214  0.026850  0.467326  1
  P  P125  1  0.026092  0.526650  0.467114  1
  P  P126  1  0.526119  0.026829  0.467145  1
  P  P127  1  0.526026  0.526943  0.467090  1
  P  P128  1  0.132568  0.174307  0.150073  1
  P  P129  1  0.132568  0.674307  0.150073  1
  P  P130  1  0.632568  0.174307  0.150073  1
  P  P131  1  0.632568  0.674307  0.150073  1
  P  P132  1  1.010611  0.291910  0.913809  1
  P  P133  1  1.010611  0.791910  0.913809  1
  P  P134  1  0.510611  0.291910  0.913809  1
  P  P135  1  0.510611  0.791910  0.913809  1
  P  P136  1  0.387155  0.416356  0.590428  1
  P  P137  1  0.387438  0.916576  0.590693  1
  P  P138  1  0.886926  0.416014  0.590338  1
  P  P139  1  0.886622  0.916016  0.590169  1
  P  P140  1  0.365569  0.207019  0.598831  1
  P  P141  1  0.364315  0.707041  0.599420  1
  P  P142  1  0.865262  0.206417  0.599206  1
  P  P143  1  0.865091  0.706373  0.599208  1
  P  P144  1  0.157955  0.268827  0.405613  1
  P  P145  1  0.157981  0.769268  0.405870  1
  P  P146  1  0.657929  0.269190  0.405525  1
  P  P147  1  0.657890  0.769163  0.405476  1
  P  P148  1  0.496858  0.449120  0.537578  1
  P  P149  1  0.496976  0.948856  0.537655  1
  P  P150  1  0.997177  0.448698  0.537761  1
  P  P151  1  0.996986  0.948873  0.537726  1
  P  P152  1  0.497115  0.027255  0.037259  1
  P  P153  1  0.497115  0.527255  0.037259  1
  P  P154  1  0.997115  0.027255  0.037259  1
  P  P155  1  0.997115  0.527255  0.037259  1
  P  P156  1  0.034238  0.082352  0.905407  1
  P  P157  1  0.034238  0.582352  0.905407  1
  P  P158  1  0.534238  0.082352  0.905407  1
  P  P159  1  0.534238  0.582352  0.905407  1
  P  P160  1  0.276072  0.275564  0.467388  1
  P  P161  1  0.276238  0.776550  0.467785  1
  P  P162  1  0.776196  0.276224  0.467319  1
  P  P163  1  0.776084  0.776178  0.467265  1
  P  P164  1  0.254046  0.409454  0.975842  1
  P  P165  1  0.254046  0.909454  0.975842  1
  P  P166  1  0.754046  0.409454  0.975842  1
  P  P167  1  0.754046  0.909454  0.975842  1
  P  P168  1  0.290868  0.008637  0.347153  1
  P  P169  1  0.289307  0.510844  0.347185  1
  P  P170  1  0.790423  0.009776  0.347039  1
  P  P171  1  0.790284  0.509792  0.346994  1
  P  P172  1  0.033975  0.393602  0.405774  1
  P  P173  1  0.034159  0.893819  0.405954  1
  P  P174  1  0.533935  0.393733  0.405754  1
  P  P175  1  0.534025  0.893664  0.405758  1
  P  P176  1  0.269356  0.067013  0.028183  1
  P  P177  1  0.269356  0.567013  0.028183  1
  P  P178  1  0.769356  0.067013  0.028183  1
  P  P179  1  0.769356  0.567013  0.028183  1
  P  P180  1  0.365256  0.269512  0.098844  1
  P  P181  1  0.365256  0.769512  0.098844  1
  P  P182  1  0.865256  0.269512  0.098844  1
  P  P183  1  0.865256  0.769512  0.098844  1
  P  P184  1  0.150899  0.074626  0.966927  1
  P  P185  1  0.150899  0.574626  0.966927  1
  P  P186  1  0.650899  0.074626  0.966927  1
  P  P187  1  0.650899  0.574626  0.966927  1
  P  P188  1  0.128742  0.191222  0.475798  1
  P  P189  1  0.128620  0.691707  0.475847  1
  P  P190  1  0.628640  0.191837  0.475605  1
  P  P191  1  0.628578  0.691837  0.475579  1
  P  P192  1  0.255778  0.302290  0.149941  1
  P  P193  1  0.255778  0.802290  0.149941  1
  P  P194  1  0.755778  0.302290  0.149941  1
  P  P195  1  0.755778  0.802290  0.149941  1
  P  P196  1  0.394591  0.192121  0.028766  1
  P  P197  1  0.394591  0.692121  0.028766  1
  P  P198  1  0.894591  0.192121  0.028766  1
  P  P199  1  0.894591  0.692121  0.028766  1
  P  P200  1  0.260722  0.043061  0.915123  1
  P  P201  1  0.260722  0.543061  0.915123  1
  P  P202  1  0.760722  0.043061  0.915123  1
  P  P203  1  0.760722  0.543061  0.915123  1
  P  P204  1  0.260474  0.433056  0.415652  1
  P  P205  1  0.260503  0.932714  0.415586  1
  P  P206  1  0.760585  0.433095  0.415486  1
  P  P207  1  0.760532  0.933113  0.415477  1
  P  P208  1  0.016779  0.425109  0.854637  1
  P  P209  1  0.016779  0.925109  0.854637  1
  P  P210  1  0.516779  0.425109  0.854637  1
  P  P211  1  0.516779  0.925109  0.854637  1
  P  P212  1  0.258098  0.178939  0.650068  1
  P  P213  1  0.253351  0.669195  0.650040  1
  P  P214  1  0.755706  0.173905  0.650289  1
  P  P215  1  0.755594  0.673680  0.650309  1
  P  P216  1  0.503616  0.316558  0.475692  1
  P  P217  1  0.503553  0.816599  0.475709  1
  P  P218  1  1.003728  0.316322  0.475743  1
  P  P219  1  1.003682  0.816519  0.475797  1
  P  P220  1  0.290481  0.466367  0.846661  1
  P  P221  1  0.290481  0.966367  0.846661  1
  P  P222  1  0.790481  0.466367  0.846661  1
  P  P223  1  0.790481  0.966367  0.846661  1
  P  P224  1  0.385813  0.166612  0.913507  1
  P  P225  1  0.385813  0.666612  0.913507  1
  P  P226  1  0.885813  0.166612  0.913507  1
  P  P227  1  0.885813  0.666612  0.913507  1
  P  P228  1  0.262680  0.433406  0.088903  1
  P  P229  1  0.262680  0.933406  0.088903  1
  P  P230  1  0.762680  0.433406  0.088903  1
  P  P231  1  0.762680  0.933406  0.088903  1
  P  P232  1  0.158146  0.206956  0.905181  1
  P  P233  1  0.158146  0.706956  0.905181  1
  P  P234  1  0.658146  0.206956  0.905181  1
  P  P235  1  0.658146  0.706956  0.905181  1
  P  P236  1  0.512791  0.184557  0.090217  1
  P  P237  1  0.512791  0.684557  0.090217  1
  P  P238  1  0.012791  0.184557  0.090217  1
  P  P239  1  0.012791  0.684557  0.090217  1
  P  P240  1  0.114932  0.018263  0.098311  1
  P  P241  1  0.114932  0.518263  0.098311  1
  P  P242  1  0.614932  0.018263  0.098311  1
  P  P243  1  0.614932  0.518263  0.098311  1
  P  P244  1  0.512886  0.291981  0.590472  1
  P  P245  1  0.512580  0.791707  0.590726  1
  P  P246  1  0.012638  0.291397  0.590582  1
  P  P247  1  0.011962  0.790958  0.590159  1
  P  P248  1  0.132368  0.300911  0.650458  1
  P  P249  1  0.129762  0.797601  0.649640  1
  P  P250  1  0.632452  0.301780  0.650377  1
  P  P251  1  0.632470  0.801752  0.650492  1
  P  P252  1  0.379096  0.441398  0.476087  1
  P  P253  1  0.379019  0.941069  0.476337  1
  P  P254  1  0.879270  0.441224  0.476122  1
  P  P255  1  0.879157  0.941281  0.476115  1
  P  P256  1  0.372503  0.401841  0.037099  1
  P  P257  1  0.372503  0.901841  0.037099  1
  P  P258  1  0.872503  0.401841  0.037099  1
  P  P259  1  0.872503  0.901841  0.037099  1
  P  P260  1  0.232921  0.010100  0.157365  1
  P  P261  1  0.232921  0.510100  0.157365  1
  P  P262  1  0.732921  0.010100  0.157365  1
  P  P263  1  0.732921  0.510100  0.157365  1
  P  P264  1  0.267624  0.174177  0.854084  1
  P  P265  1  0.267624  0.674177  0.854084  1
  P  P266  1  0.767624  0.174177  0.854084  1
  P  P267  1  0.767624  0.674177  0.854084  1
  P  P268  1  0.283078  0.332207  0.905834  1
  P  P269  1  0.283078  0.832207  0.905834  1
  P  P270  1  0.783078  0.332207  0.905834  1
  P  P271  1  0.783078  0.832207  0.905834  1
  P  P272  1  0.379341  0.034868  0.975725  1
  P  P273  1  0.379341  0.534868  0.975725  1
  P  P274  1  0.879341  0.034868  0.975725  1
  P  P275  1  0.879341  0.534868  0.975725  1
  P  P276  1  0.150658  0.401211  0.467221  1
  P  P277  1  0.150849  0.901582  0.467685  1
  P  P278  1  0.650672  0.401558  0.467236  1
  P  P279  1  0.650657  0.901502  0.467245  1
  P  P280  1  0.408470  0.458205  0.905715  1
  P  P281  1  0.408470  0.958205  0.905715  1
  P  P282  1  0.908470  0.458205  0.905715  1
  P  P283  1  0.908470  0.958205  0.905715  1
  P  P284  1  0.489907  0.082414  0.598843  1
  P  P285  1  0.488862  0.582490  0.598904  1
  P  P286  1  0.989240  0.081390  0.599154  1
  P  P287  1  0.989164  0.581554  0.599074  1
  P  P288  1  0.121881  0.152410  0.037219  1
  P  P289  1  0.121881  0.652410  0.037219  1
  P  P290  1  0.621881  0.152410  0.037219  1
  P  P291  1  0.621881  0.652410  0.037219  1
  P  P292  1  0.137589  0.309856  0.090519  1
  P  P293  1  0.137589  0.809856  0.090519  1
  P  P294  1  0.637589  0.309856  0.090519  1
  P  P295  1  0.637589  0.809856  0.090519  1
  P  P296  1  0.385550  0.309216  0.414055  1
  P  P297  1  0.385508  0.809576  0.413949  1
  P  P298  1  0.885688  0.309438  0.413922  1
  P  P299  1  0.885658  0.809560  0.413900  1
  P  P300  1  0.144081  0.034257  0.529288  1
  P  P301  1  0.143917  0.533779  0.528659  1
  P  P302  1  0.643818  0.034610  0.528632  1
  P  P303  1  0.643840  0.534650  0.528604  1
  P  P304  1  0.401221  0.151656  0.467325  1
  P  P305  1  0.401328  0.652208  0.467286  1
  P  P306  1  0.901327  0.152026  0.467201  1
  P  P307  1  0.901226  0.651969  0.467090  1
  P  P308  1  0.489164  0.394115  0.098619  1
  P  P309  1  0.489164  0.894115  0.098619  1
  P  P310  1  0.989164  0.394115  0.098619  1
  P  P311  1  0.989164  0.894115  0.098619  1
  P  P312  1  0.253855  0.065976  0.476341  1
  P  P313  1  0.253771  0.566880  0.476385  1
  P  P314  1  0.753848  0.066702  0.476190  1
  P  P315  1  0.753891  0.566689  0.476184  1
  P  P316  1  0.144061  0.441599  0.028301  1
  P  P317  1  0.144061  0.941599  0.028301  1
  P  P318  1  0.644061  0.441599  0.028301  1
  P  P319  1  0.644061  0.941599  0.028301  1
  P  P320  1  0.282798  0.143504  0.406213  1
  P  P321  1  0.282949  0.644168  0.406548  1
  P  P322  1  0.782891  0.143921  0.406195  1
  P  P323  1  0.782827  0.643930  0.406145  1
  P  P324  1  0.381110  0.049378  0.649879  1
  P  P325  1  0.378938  0.545689  0.650181  1
  P  P326  1  0.877941  0.044640  0.650098  1
  P  P327  1  0.878042  0.544663  0.650133  1
  P  P328  1  0.506838  0.425124  0.649716  1
  P  P329  1  0.507049  0.925617  0.649896  1
  P  P330  1  1.006050  0.423920  0.649761  1
  P  P331  1  1.004855  0.922317  0.649576  1
  P  P332  1  0.246894  0.198021  0.537602  1
  P  P333  1  0.246766  0.699946  0.537733  1
  P  P334  1  0.746911  0.199657  0.537380  1
  P  P335  1  0.746814  0.699567  0.537381  1
