# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.75511168
_cell_length_b   15.55671113
_cell_length_c   41.86144416
_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   13433.541082
_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  0.276517  0.199701  0.966954  1
  P  P2  1  0.276517  0.699701  0.966954  1
  P  P3  1  0.776517  0.199701  0.966954  1
  P  P4  1  0.776517  0.699701  0.966954  1
  P  P5  1  0.128891  0.284006  0.975250  1
  P  P6  1  0.128891  0.784006  0.975250  1
  P  P7  1  0.628891  0.284006  0.975250  1
  P  P8  1  0.628891  0.784006  0.975250  1
  P  P9  1  0.016293  0.050517  0.354571  1
  P  P10  1  0.018892  0.552034  0.354927  1
  P  P11  1  0.517862  0.051693  0.355005  1
  P  P12  1  0.512460  0.545879  0.355369  1
  P  P13  1  0.268935  0.409052  0.528670  1
  P  P14  1  0.269559  0.908460  0.527829  1
  P  P15  1  0.769454  0.409268  0.528001  1
  P  P16  1  0.769206  0.909757  0.528045  1
  P  P17  1  0.019483  0.159283  0.528478  1
  P  P18  1  0.019835  0.658996  0.528481  1
  P  P19  1  0.518760  0.160858  0.528177  1
  P  P20  1  0.520210  0.660084  0.529146  1
  P  P21  1  0.401645  0.323801  0.966783  1
  P  P22  1  0.401645  0.823801  0.966783  1
  P  P23  1  0.901645  0.323801  0.966783  1
  P  P24  1  0.901645  0.823801  0.966783  1
  P  P25  1  0.262723  0.042430  0.588570  1
  P  P26  1  0.262812  0.543155  0.588927  1
  P  P27  1  0.762334  0.043388  0.588572  1
  P  P28  1  0.763042  0.543123  0.588906  1
  P  P29  1  0.265190  0.295406  0.353547  1
  P  P30  1  0.269477  0.805334  0.354508  1
  P  P31  1  0.768112  0.303685  0.354092  1
  P  P32  1  0.767628  0.800702  0.354146  1
  P  P33  1  0.240234  0.332203  0.598498  1
  P  P34  1  0.240289  0.831285  0.597553  1
  P  P35  1  0.739884  0.332395  0.597765  1
  P  P36  1  0.740649  0.832659  0.598341  1
  P  P37  1  0.114714  0.457961  0.597916  1
  P  P38  1  0.115237  0.958019  0.598301  1
  P  P39  1  0.614946  0.458593  0.598412  1
  P  P40  1  0.615013  0.958646  0.598106  1
  P  P41  1  0.372373  0.075094  0.536944  1
  P  P42  1  0.372895  0.573236  0.537042  1
  P  P43  1  0.872277  0.074841  0.536900  1
  P  P44  1  0.872442  0.574587  0.536974  1
  P  P45  1  0.387299  0.059660  0.089942  1
  P  P46  1  0.387299  0.559660  0.089942  1
  P  P47  1  0.887299  0.059660  0.089942  1
  P  P48  1  0.887299  0.559660  0.089942  1
  P  P49  1  0.145252  0.044953  0.854283  1
  P  P50  1  0.145252  0.544953  0.854283  1
  P  P51  1  0.645252  0.044953  0.854283  1
  P  P52  1  0.645252  0.544953  0.854283  1
  P  P53  1  0.506733  0.050985  0.149303  1
  P  P54  1  0.506733  0.550985  0.149303  1
  P  P55  1  1.006733  0.050985  0.149303  1
  P  P56  1  1.006733  0.550985  0.149303  1
  P  P57  1  0.390915  0.301939  0.853986  1
  P  P58  1  0.390915  0.801939  0.853986  1
  P  P59  1  0.890915  0.301939  0.853986  1
  P  P60  1  0.890915  0.801939  0.853986  1
  P  P61  1  0.231344  0.468334  0.657236  1
  P  P62  1  0.235027  0.963497  0.657036  1
  P  P63  1  0.733679  0.465545  0.657240  1
  P  P64  1  0.732293  0.967753  0.657250  1
  P  P65  1  0.121648  0.323735  0.537179  1
  P  P66  1  0.122108  0.823366  0.537025  1
  P  P67  1  0.620851  0.324844  0.536852  1
  P  P68  1  0.622121  0.824612  0.537328  1
  P  P69  1  0.407778  0.016717  0.405232  1
  P  P70  1  0.409396  0.516315  0.409499  1
  P  P71  1  0.908983  0.017989  0.405841  1
  P  P72  1  0.908491  0.517468  0.405314  1
  P  P73  1  0.503913  0.159271  0.975319  1
  P  P74  1  0.503913  0.659271  0.975319  1
  P  P75  1  1.003913  0.159271  0.975319  1
  P  P76  1  1.003913  0.659271  0.975319  1
  P  P77  1  0.019690  0.316581  0.028655  1
  P  P78  1  0.019690  0.816581  0.028655  1
  P  P79  1  0.519690  0.316581  0.028655  1
  P  P80  1  0.519690  0.816581  0.028655  1
  P  P81  1  0.136303  0.416191  0.914032  1
  P  P82  1  0.136303  0.916191  0.914032  1
  P  P83  1  0.636303  0.416191  0.914032  1
  P  P84  1  0.636303  0.916191  0.914032  1
  P  P85  1  0.026413  0.448953  0.966746  1
  P  P86  1  0.026413  0.948953  0.966746  1
  P  P87  1  0.526413  0.448953  0.966746  1
  P  P88  1  0.526413  0.948953  0.966746  1
  P  P89  1  0.136240  0.059436  0.413793  1
  P  P90  1  0.136949  0.559124  0.414807  1
  P  P91  1  0.636099  0.059979  0.414376  1
  P  P92  1  0.636070  0.559799  0.413692  1
  P  P93  1  0.137404  0.166338  0.590246  1
  P  P94  1  0.137769  0.666039  0.590326  1
  P  P95  1  0.637213  0.167093  0.590106  1
  P  P96  1  0.637917  0.667010  0.590689  1
  P  P97  1  0.148874  0.433793  0.354615  1
  P  P98  1  0.144070  0.929455  0.354175  1
  P  P99  1  0.644015  0.430407  0.354218  1
  P  P100  1  0.646130  0.931631  0.354527  1
  P  P101  1  1.010777  0.184337  0.413697  1
  P  P102  1  1.010981  0.684025  0.414007  1
  P  P103  1  0.509795  0.184416  0.414180  1
  P  P104  1  0.510931  0.683718  0.413977  1
  P  P105  1  0.378351  0.430898  0.149691  1
  P  P106  1  0.378351  0.930898  0.149691  1
  P  P107  1  0.878351  0.430898  0.149691  1
  P  P108  1  0.878351  0.930898  0.149691  1
  P  P109  1  0.391091  0.173054  0.353879  1
  P  P110  1  0.390455  0.671632  0.355020  1
  P  P111  1  0.890764  0.174045  0.353885  1
  P  P112  1  0.891473  0.673655  0.354089  1
  P  P113  1  0.247085  0.276151  0.037020  1
  P  P114  1  0.247085  0.776151  0.037020  1
  P  P115  1  0.747085  0.276151  0.037020  1
  P  P116  1  0.747085  0.776151  0.037020  1
  P  P117  1  0.240419  0.143868  0.098148  1
  P  P118  1  0.240419  0.643868  0.098148  1
  P  P119  1  0.740419  0.143868  0.098148  1
  P  P120  1  0.740419  0.643868  0.098148  1
  P  P121  1  0.394249  0.286110  0.528536  1
  P  P122  1  0.394747  0.783851  0.528791  1
  P  P123  1  0.894475  0.284201  0.528486  1
  P  P124  1  0.894799  0.784097  0.528641  1
  P  P125  1  0.026625  0.026815  0.466671  1
  P  P126  1  0.026091  0.526495  0.466620  1
  P  P127  1  0.525948  0.026295  0.466565  1
  P  P128  1  0.528668  0.528615  0.467502  1
  P  P129  1  0.132688  0.173912  0.149988  1
  P  P130  1  0.132688  0.673912  0.149988  1
  P  P131  1  0.632688  0.173912  0.149988  1
  P  P132  1  0.632688  0.673912  0.149988  1
  P  P133  1  1.010701  0.291605  0.913815  1
  P  P134  1  1.010701  0.791605  0.913815  1
  P  P135  1  0.510701  0.291605  0.913815  1
  P  P136  1  0.510701  0.791605  0.913815  1
  P  P137  1  0.387153  0.416544  0.590334  1
  P  P138  1  0.387227  0.916492  0.589926  1
  P  P139  1  0.887208  0.416365  0.589891  1
  P  P140  1  0.887101  0.916527  0.589642  1
  P  P141  1  0.364997  0.207186  0.598521  1
  P  P142  1  0.365407  0.706511  0.598603  1
  P  P143  1  0.864958  0.207027  0.598481  1
  P  P144  1  0.865444  0.707156  0.598836  1
  P  P145  1  0.158075  0.269283  0.405367  1
  P  P146  1  0.158565  0.768371  0.404917  1
  P  P147  1  0.658519  0.268512  0.404958  1
  P  P148  1  0.658462  0.769442  0.405284  1
  P  P149  1  0.497258  0.450090  0.537522  1
  P  P150  1  0.496919  0.949497  0.537149  1
  P  P151  1  0.996930  0.448952  0.537041  1
  P  P152  1  0.997285  0.949108  0.537173  1
  P  P153  1  0.497190  0.026898  0.037228  1
  P  P154  1  0.497190  0.526898  0.037228  1
  P  P155  1  0.997190  0.026898  0.037228  1
  P  P156  1  0.997190  0.526898  0.037228  1
  P  P157  1  0.034360  0.082118  0.905409  1
  P  P158  1  0.034360  0.582118  0.905409  1
  P  P159  1  0.534360  0.082118  0.905409  1
  P  P160  1  0.534360  0.582118  0.905409  1
  P  P161  1  0.277281  0.276955  0.467413  1
  P  P162  1  0.276467  0.774382  0.466542  1
  P  P163  1  0.776126  0.276105  0.466668  1
  P  P164  1  0.776818  0.776460  0.467052  1
  P  P165  1  0.254129  0.409115  0.975834  1
  P  P166  1  0.254129  0.909115  0.975834  1
  P  P167  1  0.754129  0.409115  0.975834  1
  P  P168  1  0.754129  0.909115  0.975834  1
  P  P169  1  0.286003  0.015186  0.346704  1
  P  P170  1  0.302156  0.497221  0.347971  1
  P  P171  1  0.792709  0.007276  0.346612  1
  P  P172  1  0.788207  0.512334  0.346633  1
  P  P173  1  0.034769  0.394010  0.405109  1
  P  P174  1  0.034430  0.893258  0.405421  1
  P  P175  1  0.534929  0.392417  0.405989  1
  P  P176  1  0.534264  0.893410  0.405360  1
  P  P177  1  0.269473  0.066737  0.028140  1
  P  P178  1  0.269473  0.566737  0.028140  1
  P  P179  1  0.769473  0.066737  0.028140  1
  P  P180  1  0.769473  0.566737  0.028140  1
  P  P181  1  0.365335  0.269139  0.098791  1
  P  P182  1  0.365335  0.769139  0.098791  1
  P  P183  1  0.865335  0.269139  0.098791  1
  P  P184  1  0.865335  0.769139  0.098791  1
  P  P185  1  0.151021  0.074373  0.966907  1
  P  P186  1  0.151021  0.574373  0.966907  1
  P  P187  1  0.651021  0.074373  0.966907  1
  P  P188  1  0.651021  0.574373  0.966907  1
  P  P189  1  0.129021  0.191724  0.475225  1
  P  P190  1  0.129934  0.690822  0.475239  1
  P  P191  1  0.626771  0.193794  0.475082  1
  P  P192  1  0.629470  0.692602  0.475368  1
  P  P193  1  0.255856  0.301986  0.149854  1
  P  P194  1  0.255856  0.801986  0.149854  1
  P  P195  1  0.755856  0.301986  0.149854  1
  P  P196  1  0.755856  0.801986  0.149854  1
  P  P197  1  0.394712  0.191845  0.028724  1
  P  P198  1  0.394712  0.691845  0.028724  1
  P  P199  1  0.894712  0.191845  0.028724  1
  P  P200  1  0.894712  0.691845  0.028724  1
  P  P201  1  0.260815  0.042752  0.915141  1
  P  P202  1  0.260815  0.542752  0.915141  1
  P  P203  1  0.760815  0.042752  0.915141  1
  P  P204  1  0.760815  0.542752  0.915141  1
  P  P205  1  0.261064  0.431019  0.415319  1
  P  P206  1  0.260630  0.933239  0.415300  1
  P  P207  1  0.760465  0.433393  0.415051  1
  P  P208  1  0.761056  0.933286  0.415201  1
  P  P209  1  0.016869  0.424866  0.854671  1
  P  P210  1  0.016869  0.924866  0.854671  1
  P  P211  1  0.516869  0.424866  0.854671  1
  P  P212  1  0.516869  0.924866  0.854671  1
  P  P213  1  0.255089  0.172246  0.649602  1
  P  P214  1  0.256189  0.675399  0.649890  1
  P  P215  1  0.755692  0.174867  0.649573  1
  P  P216  1  0.755929  0.673798  0.649933  1
  P  P217  1  0.499578  0.320907  0.475123  1
  P  P218  1  0.504196  0.816459  0.475475  1
  P  P219  1  1.003835  0.316513  0.475113  1
  P  P220  1  1.004168  0.816359  0.475345  1
  P  P221  1  0.290653  0.466206  0.846682  1
  P  P222  1  0.290653  0.966206  0.846682  1
  P  P223  1  0.790653  0.466206  0.846682  1
  P  P224  1  0.790653  0.966206  0.846682  1
  P  P225  1  0.385903  0.166314  0.913516  1
  P  P226  1  0.385903  0.666314  0.913516  1
  P  P227  1  0.885903  0.166314  0.913516  1
  P  P228  1  0.885903  0.666314  0.913516  1
  P  P229  1  0.262788  0.433099  0.088833  1
  P  P230  1  0.262788  0.933099  0.088833  1
  P  P231  1  0.762788  0.433099  0.088833  1
  P  P232  1  0.762788  0.933099  0.088833  1
  P  P233  1  0.158268  0.206713  0.905182  1
  P  P234  1  0.158268  0.706713  0.905182  1
  P  P235  1  0.658268  0.206713  0.905182  1
  P  P236  1  0.658268  0.706713  0.905182  1
  P  P237  1  0.512902  0.184246  0.090159  1
  P  P238  1  0.512902  0.684246  0.090159  1
  P  P239  1  0.012902  0.184246  0.090159  1
  P  P240  1  0.012902  0.684246  0.090159  1
  P  P241  1  0.115007  0.017876  0.098245  1
  P  P242  1  0.115007  0.517876  0.098245  1
  P  P243  1  0.615007  0.017876  0.098245  1
  P  P244  1  0.615007  0.517876  0.098245  1
  P  P245  1  0.512511  0.292338  0.590033  1
  P  P246  1  0.512975  0.792362  0.590340  1
  P  P247  1  0.012597  0.291622  0.590053  1
  P  P248  1  0.012967  0.791660  0.589915  1
  P  P249  1  0.132580  0.301980  0.649882  1
  P  P250  1  0.132435  0.801907  0.649768  1
  P  P251  1  0.632394  0.302201  0.649863  1
  P  P252  1  0.632948  0.802765  0.650086  1
  P  P253  1  0.379145  0.940964  0.475668  1
  P  P254  1  0.879122  0.441457  0.475498  1
  P  P255  1  0.879425  0.941640  0.475767  1
  P  P256  1  0.372581  0.401478  0.037067  1
  P  P257  1  0.372581  0.901478  0.037067  1
  P  P258  1  0.872581  0.401478  0.037067  1
  P  P259  1  0.872581  0.901478  0.037067  1
  P  P260  1  0.232950  0.009645  0.157292  1
  P  P261  1  0.232950  0.509645  0.157292  1
  P  P262  1  0.732950  0.009645  0.157292  1
  P  P263  1  0.732950  0.509645  0.157292  1
  P  P264  1  0.267747  0.173866  0.854120  1
  P  P265  1  0.267747  0.673866  0.854120  1
  P  P266  1  0.767747  0.173866  0.854120  1
  P  P267  1  0.767747  0.673866  0.854120  1
  P  P268  1  0.283184  0.331984  0.905825  1
  P  P269  1  0.283184  0.831984  0.905825  1
  P  P270  1  0.783184  0.331984  0.905825  1
  P  P271  1  0.783184  0.831984  0.905825  1
  P  P272  1  0.379423  0.034541  0.975721  1
  P  P273  1  0.379423  0.534541  0.975721  1
  P  P274  1  0.879423  0.034541  0.975721  1
  P  P275  1  0.879423  0.534541  0.975721  1
  P  P276  1  0.150946  0.401037  0.467083  1
  P  P277  1  0.151148  0.900819  0.466749  1
  P  P278  1  0.650866  0.401533  0.466916  1
  P  P279  1  0.651078  0.901670  0.466901  1
  P  P280  1  0.408596  0.457975  0.905729  1
  P  P281  1  0.408596  0.957975  0.905729  1
  P  P282  1  0.908596  0.457975  0.905729  1
  P  P283  1  0.908596  0.957975  0.905729  1
  P  P284  1  0.489184  0.082797  0.598244  1
  P  P285  1  0.489194  0.582527  0.598824  1
  P  P286  1  0.989098  0.082193  0.598426  1
  P  P287  1  0.989120  0.582314  0.598394  1
  P  P288  1  0.121958  0.152051  0.037191  1
  P  P289  1  0.121958  0.652051  0.037191  1
  P  P290  1  0.621958  0.152051  0.037191  1
  P  P291  1  0.621958  0.652051  0.037191  1
  P  P292  1  0.137699  0.309538  0.090458  1
  P  P293  1  0.137699  0.809538  0.090458  1
  P  P294  1  0.637699  0.309538  0.090458  1
  P  P295  1  0.637699  0.809538  0.090458  1
  P  P296  1  0.384821  0.309195  0.412645  1
  P  P297  1  0.386009  0.808296  0.414078  1
  P  P298  1  0.885906  0.309475  0.413480  1
  P  P299  1  0.886059  0.809737  0.413485  1
  P  P300  1  0.144118  0.034147  0.528200  1
  P  P301  1  0.144478  0.534470  0.527959  1
  P  P302  1  0.643461  0.035550  0.527933  1
  P  P303  1  0.644773  0.535118  0.528621  1
  P  P304  1  0.401638  0.151343  0.466721  1
  P  P305  1  0.402191  0.652410  0.467450  1
  P  P306  1  0.901437  0.152087  0.466617  1
  P  P307  1  0.901693  0.651892  0.466697  1
  P  P308  1  0.489242  0.393733  0.098565  1
  P  P309  1  0.489242  0.893733  0.098565  1
  P  P310  1  0.989242  0.393733  0.098565  1
  P  P311  1  0.989242  0.893733  0.098565  1
  P  P312  1  0.253831  0.066822  0.476081  1
  P  P313  1  0.257262  0.563594  0.475606  1
  P  P314  1  0.753487  0.067668  0.475691  1
  P  P315  1  0.753799  0.566923  0.475850  1
  P  P316  1  0.144179  0.441310  0.028253  1
  P  P317  1  0.144179  0.941310  0.028253  1
  P  P318  1  0.644179  0.441310  0.028253  1
  P  P319  1  0.644179  0.941310  0.028253  1
  P  P320  1  0.283369  0.144110  0.406773  1
  P  P321  1  0.282553  0.641646  0.404894  1
  P  P322  1  0.783173  0.143492  0.405371  1
  P  P323  1  0.783439  0.644132  0.406134  1
  P  P324  1  0.378885  0.046008  0.649508  1
  P  P325  1  0.377922  0.545302  0.649934  1
  P  P326  1  0.877892  0.045205  0.649374  1
  P  P327  1  0.878704  0.545354  0.649704  1
  P  P328  1  0.506552  0.425172  0.649466  1
  P  P329  1  0.507210  0.926181  0.649284  1
  P  P330  1  1.006999  0.425264  0.649190  1
  P  P331  1  1.006098  0.924551  0.649025  1
  P  P332  1  0.246884  0.200163  0.537082  1
  P  P333  1  0.247578  0.698470  0.536544  1
  P  P334  1  0.746308  0.200353  0.536673  1
  P  P335  1  0.747260  0.700401  0.537176  1
