# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.73916043
_cell_length_b   15.55680227
_cell_length_c   41.86131977
_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   13423.2555459
_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  0.278291  0.198806  0.967405  1
  P  P2  1  0.276655  0.699985  0.966866  1
  P  P3  1  0.776711  0.199829  0.966786  1
  P  P4  1  0.777033  0.699817  0.966899  1
  P  P5  1  0.129021  0.784394  0.975346  1
  P  P6  1  0.629132  0.283942  0.975121  1
  P  P7  1  0.629358  0.783976  0.975149  1
  P  P8  1  0.017147  0.050951  0.354588  1
  P  P9  1  0.017147  0.550951  0.354588  1
  P  P10  1  0.517147  0.050951  0.354588  1
  P  P11  1  0.517147  0.550951  0.354588  1
  P  P12  1  0.269894  0.409124  0.528171  1
  P  P13  1  0.269894  0.909124  0.528171  1
  P  P14  1  0.769894  0.409124  0.528171  1
  P  P15  1  0.769894  0.909124  0.528171  1
  P  P16  1  0.020110  0.159279  0.528679  1
  P  P17  1  0.020110  0.659279  0.528679  1
  P  P18  1  0.520110  0.159279  0.528679  1
  P  P19  1  0.520110  0.659279  0.528679  1
  P  P20  1  0.401904  0.323794  0.966775  1
  P  P21  1  0.401939  0.823714  0.966739  1
  P  P22  1  0.901734  0.323819  0.966887  1
  P  P23  1  0.902332  0.824379  0.966665  1
  P  P24  1  0.263253  0.042746  0.588889  1
  P  P25  1  0.263253  0.542746  0.588889  1
  P  P26  1  0.763253  0.042746  0.588889  1
  P  P27  1  0.763253  0.542746  0.588889  1
  P  P28  1  0.268061  0.301992  0.354039  1
  P  P29  1  0.268061  0.801992  0.354039  1
  P  P30  1  0.768061  0.301992  0.354039  1
  P  P31  1  0.768061  0.801992  0.354039  1
  P  P32  1  0.240856  0.331940  0.598187  1
  P  P33  1  0.240856  0.831940  0.598187  1
  P  P34  1  0.740856  0.331940  0.598187  1
  P  P35  1  0.740856  0.831940  0.598187  1
  P  P36  1  0.115449  0.457918  0.598271  1
  P  P37  1  0.115449  0.957918  0.598271  1
  P  P38  1  0.615449  0.457918  0.598271  1
  P  P39  1  0.615449  0.957918  0.598271  1
  P  P40  1  0.372986  0.074349  0.537071  1
  P  P41  1  0.372986  0.574349  0.537071  1
  P  P42  1  0.872986  0.074349  0.537071  1
  P  P43  1  0.872986  0.574349  0.537071  1
  P  P44  1  0.388057  0.059257  0.090131  1
  P  P45  1  0.387464  0.559193  0.089632  1
  P  P46  1  0.887944  0.059847  0.089933  1
  P  P47  1  0.887648  0.560019  0.089838  1
  P  P48  1  0.145229  0.047231  0.854927  1
  P  P49  1  0.145472  0.544292  0.854670  1
  P  P50  1  0.645310  0.045093  0.854217  1
  P  P51  1  0.646028  0.544592  0.854153  1
  P  P52  1  0.507465  0.050535  0.149418  1
  P  P53  1  0.506997  0.551070  0.149105  1
  P  P54  1  1.007622  0.050319  0.149461  1
  P  P55  1  1.006974  0.551570  0.149287  1
  P  P56  1  0.391219  0.301790  0.853919  1
  P  P57  1  0.390615  0.802372  0.854048  1
  P  P58  1  0.891090  0.301995  0.853784  1
  P  P59  1  0.891646  0.801800  0.853895  1
  P  P60  1  0.233379  0.466178  0.657347  1
  P  P61  1  0.233379  0.966178  0.657347  1
  P  P62  1  0.733379  0.466178  0.657347  1
  P  P63  1  0.733379  0.966178  0.657347  1
  P  P64  1  0.122366  0.323772  0.537191  1
  P  P65  1  0.122366  0.823772  0.537191  1
  P  P66  1  0.622366  0.323772  0.537191  1
  P  P67  1  0.622366  0.823772  0.537191  1
  P  P68  1  0.408942  0.017928  0.405705  1
  P  P69  1  0.408942  0.517928  0.405705  1
  P  P70  1  0.908942  0.017928  0.405705  1
  P  P71  1  0.908942  0.517928  0.405705  1
  P  P72  1  0.504184  0.159148  0.975276  1
  P  P73  1  0.503790  0.658717  0.975174  1
  P  P74  1  1.007438  0.163244  0.975283  1
  P  P75  1  1.004190  0.658871  0.975318  1
  P  P76  1  0.019350  0.316914  0.029423  1
  P  P77  1  0.020289  0.817063  0.028489  1
  P  P78  1  0.520155  0.316518  0.028602  1
  P  P79  1  0.519960  0.816255  0.028487  1
  P  P80  1  0.135923  0.415654  0.914502  1
  P  P81  1  0.136695  0.916867  0.914329  1
  P  P82  1  0.636596  0.416178  0.913948  1
  P  P83  1  0.636801  0.916125  0.913951  1
  P  P84  1  0.027250  0.447360  0.967003  1
  P  P85  1  0.026924  0.950498  0.966704  1
  P  P86  1  0.526586  0.448938  0.966593  1
  P  P87  1  0.526938  0.948830  0.966703  1
  P  P88  1  0.136628  0.059650  0.413974  1
  P  P89  1  0.136628  0.559650  0.413974  1
  P  P90  1  0.636628  0.059650  0.413974  1
  P  P91  1  0.636628  0.559650  0.413974  1
  P  P92  1  0.138159  0.166299  0.590506  1
  P  P93  1  0.138159  0.666299  0.590506  1
  P  P94  1  0.638159  0.166299  0.590506  1
  P  P95  1  0.638159  0.666299  0.590506  1
  P  P96  1  0.145534  0.430866  0.354200  1
  P  P97  1  0.145534  0.930866  0.354200  1
  P  P98  1  0.645534  0.430866  0.354200  1
  P  P99  1  0.645534  0.930866  0.354200  1
  P  P100  1  1.011033  0.184239  0.413768  1
  P  P101  1  1.011033  0.684239  0.413768  1
  P  P102  1  0.511033  0.184239  0.413768  1
  P  P103  1  0.511033  0.684239  0.413768  1
  P  P104  1  0.378574  0.431265  0.149612  1
  P  P105  1  0.378954  0.930330  0.149805  1
  P  P106  1  0.878310  0.431589  0.149688  1
  P  P107  1  0.879132  0.930636  0.149614  1
  P  P108  1  0.391260  0.173971  0.353909  1
  P  P109  1  0.391260  0.673971  0.353909  1
  P  P110  1  0.891260  0.173971  0.353909  1
  P  P111  1  0.891260  0.673971  0.353909  1
  P  P112  1  0.247904  0.275205  0.037389  1
  P  P113  1  0.247351  0.775700  0.036993  1
  P  P114  1  0.747427  0.276254  0.036864  1
  P  P115  1  0.747673  0.776362  0.036914  1
  P  P116  1  0.241056  0.143455  0.098438  1
  P  P117  1  0.240885  0.643359  0.098029  1
  P  P118  1  0.740852  0.144059  0.097966  1
  P  P119  1  0.740803  0.643886  0.098118  1
  P  P120  1  0.395130  0.284020  0.528751  1
  P  P121  1  0.395130  0.784020  0.528751  1
  P  P122  1  0.895130  0.284020  0.528751  1
  P  P123  1  0.895130  0.784020  0.528751  1
  P  P124  1  0.026797  0.026916  0.466747  1
  P  P125  1  0.026797  0.526916  0.466747  1
  P  P126  1  0.526797  0.026916  0.466747  1
  P  P127  1  0.526797  0.526916  0.466747  1
  P  P128  1  0.133493  0.173340  0.150372  1
  P  P129  1  0.133063  0.673676  0.149819  1
  P  P130  1  0.633266  0.173862  0.150022  1
  P  P131  1  0.632850  0.674189  0.149784  1
  P  P132  1  1.010648  0.292071  0.913377  1
  P  P133  1  1.011091  0.791880  0.913958  1
  P  P134  1  0.510953  0.291533  0.913724  1
  P  P135  1  0.510929  0.791388  0.913782  1
  P  P136  1  0.387762  0.416196  0.590003  1
  P  P137  1  0.387762  0.916196  0.590003  1
  P  P138  1  0.887762  0.416196  0.590003  1
  P  P139  1  0.887762  0.916196  0.590003  1
  P  P140  1  0.365777  0.206683  0.598823  1
  P  P141  1  0.365777  0.706683  0.598823  1
  P  P142  1  0.865777  0.206683  0.598823  1
  P  P143  1  0.865777  0.706683  0.598823  1
  P  P144  1  0.158613  0.269163  0.405153  1
  P  P145  1  0.158613  0.769163  0.405153  1
  P  P146  1  0.658613  0.269163  0.405153  1
  P  P147  1  0.658613  0.769163  0.405153  1
  P  P148  1  0.497594  0.448930  0.537230  1
  P  P149  1  0.497594  0.948930  0.537230  1
  P  P150  1  0.997594  0.448930  0.537230  1
  P  P151  1  0.997594  0.948930  0.537230  1
  P  P152  1  0.497813  0.026489  0.037303  1
  P  P153  1  0.497169  0.526525  0.036959  1
  P  P154  1  0.998175  0.028341  0.036961  1
  P  P155  1  0.997514  0.526634  0.037136  1
  P  P156  1  0.034346  0.082149  0.905378  1
  P  P157  1  0.034749  0.581760  0.905681  1
  P  P158  1  0.534747  0.082122  0.905362  1
  P  P159  1  0.534721  0.582126  0.905182  1
  P  P160  1  0.276898  0.276176  0.466953  1
  P  P161  1  0.276898  0.776176  0.466953  1
  P  P162  1  0.776898  0.276176  0.466953  1
  P  P163  1  0.776898  0.776176  0.466953  1
  P  P164  1  0.251513  0.405722  0.975855  1
  P  P165  1  0.254499  0.909309  0.975964  1
  P  P166  1  0.754407  0.409248  0.975656  1
  P  P167  1  0.755069  0.909601  0.975785  1
  P  P168  1  0.291012  0.009668  0.346629  1
  P  P169  1  0.291012  0.509668  0.346629  1
  P  P170  1  0.791012  0.009668  0.346629  1
  P  P171  1  0.791012  0.509668  0.346629  1
  P  P172  1  0.034696  0.393761  0.405381  1
  P  P173  1  0.034696  0.893761  0.405381  1
  P  P174  1  0.534696  0.393761  0.405381  1
  P  P175  1  0.534696  0.893761  0.405381  1
  P  P176  1  0.270366  0.066293  0.028500  1
  P  P177  1  0.269094  0.565430  0.027815  1
  P  P178  1  0.770156  0.066979  0.027967  1
  P  P179  1  0.769811  0.566949  0.028043  1
  P  P180  1  0.365915  0.268873  0.098938  1
  P  P181  1  0.365921  0.768622  0.098783  1
  P  P182  1  0.865738  0.269337  0.098693  1
  P  P183  1  0.865787  0.769462  0.098607  1
  P  P184  1  0.151826  0.075259  0.967432  1
  P  P185  1  0.151156  0.574926  0.966987  1
  P  P186  1  0.651418  0.074374  0.966798  1
  P  P187  1  0.651286  0.574461  0.966747  1
  P  P188  1  0.129260  0.191826  0.475225  1
  P  P189  1  0.129260  0.691826  0.475225  1
  P  P190  1  0.629260  0.191826  0.475225  1
  P  P191  1  0.629260  0.691826  0.475225  1
  P  P192  1  0.256698  0.301615  0.150097  1
  P  P193  1  0.256574  0.801039  0.149892  1
  P  P194  1  0.756447  0.301686  0.149847  1
  P  P195  1  0.756056  0.802549  0.149660  1
  P  P196  1  0.395628  0.191499  0.028949  1
  P  P197  1  0.394608  0.691174  0.028491  1
  P  P198  1  0.895373  0.191962  0.028618  1
  P  P199  1  0.895230  0.692212  0.028589  1
  P  P200  1  0.261024  0.043409  0.915443  1
  P  P201  1  0.260604  0.541793  0.915494  1
  P  P202  1  0.761492  0.042628  0.915114  1
  P  P203  1  0.761221  0.542984  0.915027  1
  P  P204  1  0.261138  0.433100  0.415087  1
  P  P205  1  0.261138  0.933100  0.415087  1
  P  P206  1  0.761138  0.433100  0.415087  1
  P  P207  1  0.761138  0.933100  0.415087  1
  P  P208  1  0.016781  0.425427  0.854537  1
  P  P209  1  0.017947  0.924493  0.854726  1
  P  P210  1  0.517395  0.424610  0.854519  1
  P  P211  1  0.517055  0.924646  0.854669  1
  P  P212  1  0.256330  0.173854  0.649937  1
  P  P213  1  0.256330  0.673854  0.649937  1
  P  P214  1  0.756330  0.173854  0.649937  1
  P  P215  1  0.756330  0.673854  0.649937  1
  P  P216  1  0.504280  0.316567  0.475298  1
  P  P217  1  0.504280  0.816567  0.475298  1
  P  P218  1  1.004280  0.316567  0.475298  1
  P  P219  1  1.004280  0.816567  0.475298  1
  P  P220  1  0.290592  0.465539  0.846754  1
  P  P221  1  0.291216  0.968600  0.846986  1
  P  P222  1  0.792487  0.467933  0.846636  1
  P  P223  1  0.789600  0.964174  0.846487  1
  P  P224  1  0.386247  0.166086  0.913410  1
  P  P225  1  0.385870  0.666099  0.913605  1
  P  P226  1  0.886803  0.166897  0.913731  1
  P  P227  1  0.886292  0.666258  0.913393  1
  P  P228  1  0.262949  0.432614  0.088736  1
  P  P229  1  0.263451  0.932545  0.088962  1
  P  P230  1  0.763063  0.433223  0.088778  1
  P  P231  1  0.763390  0.933374  0.088683  1
  P  P232  1  0.158595  0.207794  0.907226  1
  P  P233  1  0.158453  0.707052  0.905227  1
  P  P234  1  0.658727  0.206733  0.905025  1
  P  P235  1  0.658527  0.706684  0.905030  1
  P  P236  1  0.513617  0.184029  0.090259  1
  P  P237  1  0.513115  0.684006  0.089873  1
  P  P238  1  0.013484  0.184230  0.090494  1
  P  P239  1  0.013322  0.684426  0.089986  1
  P  P240  1  0.115577  0.018212  0.098144  1
  P  P241  1  0.115205  0.517577  0.097937  1
  P  P242  1  0.615709  0.017679  0.098294  1
  P  P243  1  0.615116  0.517978  0.097983  1
  P  P244  1  0.513357  0.291606  0.590209  1
  P  P245  1  0.513357  0.791606  0.590209  1
  P  P246  1  0.013357  0.291606  0.590209  1
  P  P247  1  0.013357  0.791606  0.590209  1
  P  P248  1  0.133130  0.301875  0.650068  1
  P  P249  1  0.133130  0.801875  0.650068  1
  P  P250  1  0.633130  0.301875  0.650068  1
  P  P251  1  0.633130  0.801875  0.650068  1
  P  P252  1  0.379787  0.441300  0.475698  1
  P  P253  1  0.379787  0.941300  0.475698  1
  P  P254  1  0.879787  0.441300  0.475698  1
  P  P255  1  0.879787  0.941300  0.475698  1
  P  P256  1  0.372342  0.400803  0.036834  1
  P  P257  1  0.373128  0.900896  0.037162  1
  P  P258  1  0.872685  0.401734  0.037087  1
  P  P259  1  0.873406  0.902242  0.036851  1
  P  P260  1  0.233025  0.008361  0.157391  1
  P  P261  1  0.232660  0.508911  0.157153  1
  P  P262  1  0.734212  0.010462  0.157247  1
  P  P263  1  0.732315  0.509046  0.157189  1
  P  P264  1  0.266662  0.176006  0.854584  1
  P  P265  1  0.268019  0.673043  0.854427  1
  P  P266  1  0.768792  0.172523  0.854186  1
  P  P267  1  0.767856  0.674855  0.853911  1
  P  P268  1  0.283920  0.332267  0.906078  1
  P  P269  1  0.283287  0.832582  0.905773  1
  P  P270  1  0.783502  0.332190  0.905526  1
  P  P271  1  0.783647  0.831665  0.905888  1
  P  P272  1  0.380117  0.034068  0.975859  1
  P  P273  1  0.378417  0.533147  0.975608  1
  P  P274  1  0.881220  0.036128  0.975537  1
  P  P275  1  0.879899  0.534460  0.975694  1
  P  P276  1  0.151405  0.401497  0.466906  1
  P  P277  1  0.151405  0.901497  0.466906  1
  P  P278  1  0.651405  0.401497  0.466906  1
  P  P279  1  0.651405  0.901497  0.466906  1
  P  P280  1  0.409068  0.458203  0.905552  1
  P  P281  1  0.409033  0.957989  0.905831  1
  P  P282  1  0.909239  0.457704  0.905964  1
  P  P283  1  0.908669  0.958078  0.905388  1
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  P  P295  1  0.638119  0.809416  0.090192  1
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  P  P301  1  0.144604  0.534546  0.528278  1
  P  P302  1  0.644604  0.034546  0.528278  1
  P  P303  1  0.644604  0.534546  0.528278  1
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  P  P306  1  0.902025  0.152073  0.466785  1
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  P  P308  1  0.489449  0.393627  0.098394  1
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  P  P310  1  0.989412  0.394051  0.098892  1
  P  P311  1  0.989838  0.894150  0.098270  1
  P  P312  1  0.254497  0.066722  0.475806  1
  P  P313  1  0.254497  0.566722  0.475806  1
  P  P314  1  0.754497  0.066722  0.475806  1
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  P  P316  1  0.144160  0.438988  0.027979  1
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  P  P318  1  0.644534  0.441311  0.028090  1
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  P  P320  1  0.283535  0.143905  0.405790  1
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  P  P322  1  0.783535  0.143905  0.405790  1
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  P  P325  1  0.378857  0.544980  0.649776  1
  P  P326  1  0.878857  0.044980  0.649776  1
  P  P327  1  0.878857  0.544980  0.649776  1
  P  P328  1  0.507243  0.424895  0.649389  1
  P  P329  1  0.507243  0.924895  0.649389  1
  P  P330  1  1.007243  0.424895  0.649389  1
  P  P331  1  1.007243  0.924895  0.649389  1
  P  P332  1  0.247492  0.199670  0.537024  1
  P  P333  1  0.247492  0.699670  0.537024  1
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  P  P335  1  0.747492  0.699670  0.537024  1
