# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.75830513
_cell_length_b   15.55199442
_cell_length_c   41.84711101
_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   13426.9355153
_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  0.276462  0.199788  0.967178  1
  P  P2  1  0.275092  0.698407  0.967239  1
  P  P3  1  0.777994  0.201284  0.967260  1
  P  P4  1  0.776221  0.700429  0.967055  1
  P  P5  1  0.128533  0.285578  0.975169  1
  P  P6  1  0.128569  0.782728  0.975380  1
  P  P7  1  0.629111  0.284273  0.975536  1
  P  P8  1  0.628823  0.784267  0.975518  1
  P  P9  1  0.016842  0.051166  0.354773  1
  P  P10  1  0.016842  0.551166  0.354773  1
  P  P11  1  0.516842  0.051166  0.354773  1
  P  P12  1  0.516842  0.551166  0.354773  1
  P  P13  1  0.269423  0.409277  0.528326  1
  P  P14  1  0.269423  0.909277  0.528326  1
  P  P15  1  0.769423  0.409277  0.528326  1
  P  P16  1  0.769423  0.909277  0.528326  1
  P  P17  1  0.019637  0.159429  0.528841  1
  P  P18  1  0.019637  0.659429  0.528841  1
  P  P19  1  0.519637  0.159429  0.528841  1
  P  P20  1  0.519637  0.659429  0.528841  1
  P  P21  1  0.401848  0.323808  0.967016  1
  P  P22  1  0.401048  0.823494  0.967033  1
  P  P23  1  0.904612  0.327558  0.967186  1
  P  P24  1  0.901732  0.823732  0.966759  1
  P  P25  1  0.262739  0.042901  0.589050  1
  P  P26  1  0.262739  0.542901  0.589050  1
  P  P27  1  0.762739  0.042901  0.589050  1
  P  P28  1  0.762739  0.542901  0.589050  1
  P  P29  1  0.267701  0.302131  0.354221  1
  P  P30  1  0.267701  0.802131  0.354221  1
  P  P31  1  0.767701  0.302131  0.354221  1
  P  P32  1  0.767701  0.802131  0.354221  1
  P  P33  1  0.240378  0.332095  0.598356  1
  P  P34  1  0.240378  0.832095  0.598356  1
  P  P35  1  0.740378  0.332095  0.598356  1
  P  P36  1  0.740378  0.832095  0.598356  1
  P  P37  1  0.114975  0.458090  0.598465  1
  P  P38  1  0.114975  0.958090  0.598465  1
  P  P39  1  0.614975  0.458090  0.598465  1
  P  P40  1  0.614975  0.958090  0.598465  1
  P  P41  1  0.372550  0.074497  0.537253  1
  P  P42  1  0.372550  0.574497  0.537253  1
  P  P43  1  0.872550  0.074497  0.537253  1
  P  P44  1  0.872550  0.574497  0.537253  1
  P  P45  1  0.387175  0.059809  0.090237  1
  P  P46  1  0.387046  0.559785  0.089998  1
  P  P47  1  0.887420  0.059875  0.089858  1
  P  P48  1  0.887482  0.559640  0.089797  1
  P  P49  1  0.145250  0.045158  0.854566  1
  P  P50  1  0.144450  0.546260  0.853993  1
  P  P51  1  0.645510  0.045723  0.854722  1
  P  P52  1  0.645379  0.545120  0.854400  1
  P  P53  1  0.506646  0.051140  0.149603  1
  P  P54  1  0.506311  0.551460  0.149487  1
  P  P55  1  1.006554  0.051142  0.149259  1
  P  P56  1  1.006746  0.550877  0.149362  1
  P  P57  1  0.391073  0.301984  0.854164  1
  P  P58  1  0.390960  0.801776  0.854338  1
  P  P59  1  0.891660  0.302387  0.854527  1
  P  P60  1  0.890687  0.802861  0.854003  1
  P  P61  1  0.232941  0.466286  0.657532  1
  P  P62  1  0.232941  0.966286  0.657532  1
  P  P63  1  0.732941  0.466286  0.657532  1
  P  P64  1  0.732941  0.966286  0.657532  1
  P  P65  1  0.121927  0.323926  0.537375  1
  P  P66  1  0.121927  0.823926  0.537375  1
  P  P67  1  0.621927  0.323926  0.537375  1
  P  P68  1  0.621927  0.823926  0.537375  1
  P  P69  1  0.408547  0.018058  0.405852  1
  P  P70  1  0.408547  0.518058  0.405852  1
  P  P71  1  0.908547  0.018058  0.405852  1
  P  P72  1  0.908547  0.518058  0.405852  1
  P  P73  1  0.504074  0.159367  0.975634  1
  P  P74  1  0.503906  0.659388  0.975570  1
  P  P75  1  1.004177  0.158908  0.975535  1
  P  P76  1  1.003430  0.658562  0.975135  1
  P  P77  1  0.020244  0.317043  0.028625  1
  P  P78  1  0.019579  0.816364  0.028531  1
  P  P79  1  0.519688  0.316744  0.028936  1
  P  P80  1  0.519476  0.816778  0.028837  1
  P  P81  1  0.137447  0.415693  0.913065  1
  P  P82  1  0.136103  0.916064  0.914271  1
  P  P83  1  0.636487  0.416473  0.914265  1
  P  P84  1  0.636502  0.916716  0.914398  1
  P  P85  1  0.026584  0.948833  0.966676  1
  P  P86  1  0.526431  0.449123  0.966919  1
  P  P87  1  0.526345  0.949221  0.966987  1
  P  P88  1  0.136274  0.059809  0.414161  1
  P  P89  1  0.136274  0.559809  0.414161  1
  P  P90  1  0.636274  0.059809  0.414161  1
  P  P91  1  0.636274  0.559809  0.414161  1
  P  P92  1  0.137649  0.166458  0.590672  1
  P  P93  1  0.137649  0.666458  0.590672  1
  P  P94  1  0.637649  0.166458  0.590672  1
  P  P95  1  0.637649  0.666458  0.590672  1
  P  P96  1  0.145212  0.431062  0.354384  1
  P  P97  1  0.145212  0.931062  0.354384  1
  P  P98  1  0.645212  0.431062  0.354384  1
  P  P99  1  0.645212  0.931062  0.354384  1
  P  P100  1  1.010669  0.184396  0.413947  1
  P  P101  1  1.010669  0.684396  0.413947  1
  P  P102  1  0.510669  0.184396  0.413947  1
  P  P103  1  0.510669  0.684396  0.413947  1
  P  P104  1  0.377726  0.431620  0.149898  1
  P  P105  1  0.378303  0.930870  0.149962  1
  P  P106  1  0.878270  0.431259  0.149686  1
  P  P107  1  0.878324  0.931077  0.149680  1
  P  P108  1  0.390887  0.174097  0.354088  1
  P  P109  1  0.390887  0.674097  0.354088  1
  P  P110  1  0.890887  0.174097  0.354088  1
  P  P111  1  0.890887  0.674097  0.354088  1
  P  P112  1  0.246925  0.276335  0.037069  1
  P  P113  1  0.247121  0.776264  0.037329  1
  P  P114  1  0.746938  0.276217  0.037306  1
  P  P115  1  0.746988  0.776274  0.037271  1
  P  P116  1  0.240288  0.144179  0.098203  1
  P  P117  1  0.240332  0.643642  0.098436  1
  P  P118  1  0.740431  0.143854  0.098400  1
  P  P119  1  0.740406  0.643814  0.098437  1
  P  P120  1  0.394660  0.284168  0.528910  1
  P  P121  1  0.394660  0.784168  0.528910  1
  P  P122  1  0.894660  0.284168  0.528910  1
  P  P123  1  0.894660  0.784168  0.528910  1
  P  P124  1  0.026361  0.027068  0.466904  1
  P  P125  1  0.026361  0.527068  0.466904  1
  P  P126  1  0.526361  0.027068  0.466904  1
  P  P127  1  0.526361  0.527068  0.466904  1
  P  P128  1  0.132501  0.173972  0.150184  1
  P  P129  1  0.132308  0.674030  0.149973  1
  P  P130  1  0.632720  0.173984  0.150279  1
  P  P131  1  0.632537  0.674089  0.150180  1
  P  P132  1  1.011308  0.294570  0.914588  1
  P  P133  1  1.010552  0.790994  0.913804  1
  P  P134  1  0.510844  0.291776  0.914058  1
  P  P135  1  0.510659  0.791775  0.914163  1
  P  P136  1  0.387247  0.416338  0.590157  1
  P  P137  1  0.387247  0.916338  0.590157  1
  P  P138  1  0.887247  0.416338  0.590157  1
  P  P139  1  0.887247  0.916338  0.590157  1
  P  P140  1  0.365301  0.206832  0.599005  1
  P  P141  1  0.365301  0.706832  0.599005  1
  P  P142  1  0.865301  0.206832  0.599005  1
  P  P143  1  0.865301  0.706832  0.599005  1
  P  P144  1  0.158221  0.269316  0.405313  1
  P  P145  1  0.158221  0.769316  0.405313  1
  P  P146  1  0.658221  0.269316  0.405313  1
  P  P147  1  0.658221  0.769316  0.405313  1
  P  P148  1  0.497161  0.449080  0.537414  1
  P  P149  1  0.497161  0.949080  0.537414  1
  P  P150  1  0.997161  0.449080  0.537414  1
  P  P151  1  0.997161  0.949080  0.537414  1
  P  P152  1  0.497138  0.027042  0.037542  1
  P  P153  1  0.497107  0.526979  0.037431  1
  P  P154  1  0.997340  0.026762  0.037352  1
  P  P155  1  0.997269  0.526115  0.036287  1
  P  P156  1  0.034306  0.083606  0.905519  1
  P  P157  1  0.034298  0.580516  0.905711  1
  P  P158  1  0.534622  0.082438  0.905729  1
  P  P159  1  0.534324  0.582296  0.905572  1
  P  P160  1  0.276466  0.276325  0.467114  1
  P  P161  1  0.276466  0.776325  0.467114  1
  P  P162  1  0.776466  0.276325  0.467114  1
  P  P163  1  0.776466  0.776325  0.467114  1
  P  P164  1  0.254316  0.409124  0.975874  1
  P  P165  1  0.253795  0.908714  0.976069  1
  P  P166  1  0.754368  0.409455  0.976054  1
  P  P167  1  0.754169  0.909387  0.976108  1
  P  P168  1  0.290581  0.009861  0.346786  1
  P  P169  1  0.290581  0.509861  0.346786  1
  P  P170  1  0.790581  0.009861  0.346786  1
  P  P171  1  0.790581  0.509861  0.346786  1
  P  P172  1  0.034314  0.393914  0.405539  1
  P  P173  1  0.034314  0.893914  0.405539  1
  P  P174  1  0.534314  0.393914  0.405539  1
  P  P175  1  0.534314  0.893914  0.405539  1
  P  P176  1  0.269390  0.066663  0.028292  1
  P  P177  1  0.268749  0.566446  0.028179  1
  P  P178  1  0.769783  0.067326  0.028263  1
  P  P179  1  0.769184  0.567189  0.028334  1
  P  P180  1  0.365269  0.269361  0.099016  1
  P  P181  1  0.365200  0.769189  0.099077  1
  P  P182  1  0.865359  0.269152  0.098919  1
  P  P183  1  0.865339  0.768965  0.098910  1
  P  P184  1  0.150994  0.074951  0.967037  1
  P  P185  1  0.148088  0.570489  0.967019  1
  P  P186  1  0.651547  0.075162  0.967184  1
  P  P187  1  0.651003  0.574671  0.967079  1
  P  P188  1  0.128862  0.191979  0.475408  1
  P  P189  1  0.128862  0.691979  0.475408  1
  P  P190  1  0.628862  0.191979  0.475408  1
  P  P191  1  0.628862  0.691979  0.475408  1
  P  P192  1  0.256085  0.301275  0.150197  1
  P  P193  1  0.255358  0.802560  0.149970  1
  P  P194  1  0.756041  0.301899  0.150084  1
  P  P195  1  0.755837  0.802141  0.149987  1
  P  P196  1  0.394647  0.191895  0.028966  1
  P  P197  1  0.394278  0.691783  0.028854  1
  P  P198  1  0.895255  0.192844  0.028653  1
  P  P199  1  0.894741  0.691775  0.028718  1
  P  P200  1  0.260834  0.042556  0.915429  1
  P  P201  1  0.260402  0.542763  0.915375  1
  P  P202  1  0.761358  0.043532  0.915555  1
  P  P203  1  0.760589  0.543495  0.915199  1
  P  P204  1  0.260783  0.433247  0.415268  1
  P  P205  1  0.260783  0.933247  0.415268  1
  P  P206  1  0.760783  0.433247  0.415268  1
  P  P207  1  0.760783  0.933247  0.415268  1
  P  P208  1  0.016665  0.425167  0.854221  1
  P  P209  1  0.016813  0.925548  0.854977  1
  P  P210  1  0.517161  0.424825  0.854894  1
  P  P211  1  0.517143  0.924957  0.855070  1
  P  P212  1  0.255820  0.174016  0.650097  1
  P  P213  1  0.255820  0.674016  0.650097  1
  P  P214  1  0.755820  0.174016  0.650097  1
  P  P215  1  0.755820  0.674016  0.650097  1
  P  P216  1  0.503884  0.316718  0.475477  1
  P  P217  1  0.503884  0.816718  0.475477  1
  P  P218  1  1.003884  0.316718  0.475477  1
  P  P219  1  1.003884  0.816718  0.475477  1
  P  P220  1  0.289259  0.465256  0.846980  1
  P  P221  1  0.290169  0.965338  0.846972  1
  P  P222  1  0.791580  0.467387  0.846948  1
  P  P223  1  0.790354  0.966649  0.846838  1
  P  P224  1  0.386200  0.166059  0.913795  1
  P  P225  1  0.385713  0.666336  0.913886  1
  P  P226  1  0.886790  0.168047  0.914306  1
  P  P227  1  0.885529  0.666747  0.913302  1
  P  P228  1  0.262661  0.432988  0.089050  1
  P  P229  1  0.262631  0.933324  0.089022  1
  P  P230  1  0.762658  0.433293  0.089057  1
  P  P231  1  0.762782  0.933350  0.088950  1
  P  P232  1  0.158377  0.206989  0.905389  1
  P  P233  1  0.157651  0.705585  0.905634  1
  P  P234  1  0.658932  0.207435  0.905587  1
  P  P235  1  0.658042  0.707284  0.905284  1
  P  P236  1  0.512819  0.184429  0.090464  1
  P  P237  1  0.512674  0.684450  0.090309  1
  P  P238  1  0.012978  0.184583  0.090133  1
  P  P239  1  0.012764  0.683629  0.089877  1
  P  P240  1  0.115061  0.018030  0.098354  1
  P  P241  1  0.114465  0.518095  0.098016  1
  P  P242  1  0.614953  0.017940  0.098551  1
  P  P243  1  0.614794  0.518049  0.098479  1
  P  P244  1  0.512852  0.291752  0.590370  1
  P  P245  1  0.512852  0.791752  0.590370  1
  P  P246  1  0.012852  0.291752  0.590370  1
  P  P247  1  0.012852  0.791752  0.590370  1
  P  P248  1  0.132634  0.302050  0.650230  1
  P  P249  1  0.132634  0.802050  0.650230  1
  P  P250  1  0.632634  0.302050  0.650230  1
  P  P251  1  0.632634  0.802050  0.650230  1
  P  P252  1  0.379393  0.441450  0.475875  1
  P  P253  1  0.379393  0.941450  0.475875  1
  P  P254  1  0.879393  0.441450  0.475875  1
  P  P255  1  0.879393  0.941450  0.475875  1
  P  P256  1  0.372458  0.401572  0.037244  1
  P  P257  1  0.372547  0.901582  0.037358  1
  P  P258  1  0.872096  0.401727  0.037238  1
  P  P259  1  0.872607  0.901250  0.037206  1
  P  P260  1  0.233334  0.010590  0.157491  1
  P  P261  1  0.231258  0.508331  0.157385  1
  P  P262  1  0.732978  0.009676  0.157546  1
  P  P263  1  0.732576  0.509385  0.157560  1
  P  P264  1  0.268128  0.173388  0.854356  1
  P  P265  1  0.267716  0.673660  0.854408  1
  P  P266  1  0.768557  0.174373  0.854717  1
  P  P267  1  0.767242  0.674974  0.854069  1
  P  P268  1  0.283785  0.331415  0.906084  1
  P  P269  1  0.282735  0.831366  0.906170  1
  P  P270  1  0.784164  0.333123  0.906295  1
  P  P271  1  0.783139  0.832697  0.905969  1
  P  P272  1  0.379374  0.034419  0.975994  1
  P  P273  1  0.379449  0.534567  0.975912  1
  P  P274  1  0.879659  0.034336  0.976003  1
  P  P275  1  0.878268  0.535853  0.975736  1
  P  P276  1  0.150971  0.401651  0.467065  1
  P  P277  1  0.150971  0.901651  0.467065  1
  P  P278  1  0.650971  0.401651  0.467065  1
  P  P279  1  0.650971  0.901651  0.467065  1
  P  P280  1  0.408455  0.458209  0.905808  1
  P  P281  1  0.408451  0.957805  0.905976  1
  P  P282  1  0.908876  0.459044  0.905964  1
  P  P283  1  0.908702  0.958883  0.905854  1
  P  P284  1  0.489208  0.082233  0.598779  1
  P  P285  1  0.489208  0.582233  0.598779  1
  P  P286  1  0.989208  0.082233  0.598779  1
  P  P287  1  0.989208  0.582233  0.598779  1
  P  P288  1  0.121963  0.152551  0.037209  1
  P  P289  1  0.122070  0.652225  0.037273  1
  P  P290  1  0.621913  0.152191  0.037519  1
  P  P291  1  0.621838  0.652215  0.037435  1
  P  P292  1  0.137705  0.309729  0.090770  1
  P  P293  1  0.137464  0.809533  0.090479  1
  P  P294  1  0.637628  0.309741  0.090783  1
  P  P295  1  0.637609  0.809700  0.090638  1
  P  P296  1  0.385872  0.309689  0.413646  1
  P  P297  1  0.385872  0.809689  0.413646  1
  P  P298  1  0.885872  0.309689  0.413646  1
  P  P299  1  0.885872  0.809689  0.413646  1
  P  P300  1  0.144128  0.034698  0.528442  1
  P  P301  1  0.144128  0.534698  0.528442  1
  P  P302  1  0.644128  0.034698  0.528442  1
  P  P303  1  0.644128  0.534698  0.528442  1
  P  P304  1  0.401594  0.152221  0.466942  1
  P  P305  1  0.401594  0.652221  0.466942  1
  P  P306  1  0.901594  0.152221  0.466942  1
  P  P307  1  0.901594  0.652221  0.466942  1
  P  P308  1  0.489029  0.393978  0.098849  1
  P  P309  1  0.489176  0.893830  0.098862  1
  P  P310  1  0.989062  0.394159  0.098255  1
  P  P311  1  0.989305  0.893442  0.098610  1
  P  P312  1  0.254099  0.066871  0.475991  1
  P  P313  1  0.254099  0.566871  0.475991  1
  P  P314  1  0.754099  0.066871  0.475991  1
  P  P315  1  0.754099  0.566871  0.475991  1
  P  P316  1  0.144302  0.440825  0.028597  1
  P  P317  1  0.144018  0.941259  0.028272  1
  P  P318  1  0.644144  0.441506  0.028473  1
  P  P319  1  0.644174  0.941727  0.028448  1
  P  P320  1  0.283144  0.144053  0.405961  1
  P  P321  1  0.283144  0.644053  0.405961  1
  P  P322  1  0.783144  0.144053  0.405961  1
  P  P323  1  0.783144  0.644053  0.405961  1
  P  P324  1  0.378310  0.045086  0.649934  1
  P  P325  1  0.378310  0.545086  0.649934  1
  P  P326  1  0.878310  0.045086  0.649934  1
  P  P327  1  0.878310  0.545086  0.649934  1
  P  P328  1  0.506680  0.424981  0.649544  1
  P  P329  1  0.506680  0.924981  0.649544  1
  P  P330  1  1.006680  0.424981  0.649544  1
  P  P331  1  1.006680  0.924981  0.649544  1
  P  P332  1  0.247056  0.199822  0.537203  1
  P  P333  1  0.247056  0.699822  0.537203  1
  P  P334  1  0.747056  0.199822  0.537203  1
  P  P335  1  0.747056  0.699822  0.537203  1
