# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   54.85311104
_cell_length_b   34.93044007
_cell_length_c   50.15045820
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.16330488
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P432
_cell_volume   93302.0310136
_cell_formula_units_Z   432
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  0.987034  0.298076  0.349982  1
  P  P2  1  0.633015  0.279300  0.302363  1
  P  P3  1  0.987034  0.798076  0.349982  1
  P  P4  1  0.341053  0.316852  0.397601  1
  P  P5  1  0.633015  0.779300  0.302363  1
  P  P6  1  0.341053  0.816852  0.397601  1
  P  P7  1  0.971867  0.470666  0.318398  1
  P  P8  1  0.680333  0.507079  0.413786  1
  P  P9  1  0.971867  0.970666  0.318398  1
  P  P10  1  0.326314  0.488303  0.366167  1
  P  P11  1  0.680333  0.007079  0.413786  1
  P  P12  1  0.326314  0.988303  0.366167  1
  P  P13  1  0.994349  0.255631  0.405603  1
  P  P14  1  0.640330  0.236856  0.357984  1
  P  P15  1  0.994349  0.755631  0.405603  1
  P  P16  1  0.286343  0.218057  0.310296  1
  P  P17  1  0.640330  0.736856  0.357984  1
  P  P18  1  0.286343  0.718057  0.310296  1
  P  P19  1  0.027038  0.568299  0.405784  1
  P  P20  1  0.673019  0.549524  0.358165  1
  P  P21  1  0.027038  0.068299  0.405784  1
  P  P22  1  0.318999  0.530748  0.310546  1
  P  P23  1  0.673019  0.049524  0.358165  1
  P  P24  1  0.318999  0.030748  0.310546  1
  P  P25  1  0.038776  0.240974  0.364490  1
  P  P26  1  0.684757  0.222198  0.316871  1
  P  P27  1  0.038776  0.740974  0.364490  1
  P  P28  1  0.392795  0.259749  0.412109  1
  P  P29  1  0.684757  0.722198  0.316871  1
  P  P30  1  0.392795  0.759749  0.412109  1
  P  P31  1  0.921330  0.526443  0.304199  1
  P  P32  1  0.628591  0.564181  0.399278  1
  P  P33  1  0.921330  0.026443  0.304199  1
  P  P34  1  0.274572  0.545406  0.351659  1
  P  P35  1  0.628591  0.064181  0.399278  1
  P  P36  1  0.274572  0.045406  0.351659  1
  P  P37  1  0.991712  0.206875  0.353544  1
  P  P38  1  0.637693  0.188099  0.305925  1
  P  P39  1  0.991712  0.706875  0.353544  1
  P  P40  1  0.345732  0.225650  0.401163  1
  P  P41  1  0.637693  0.688099  0.305925  1
  P  P42  1  0.345732  0.725650  0.401163  1
  P  P43  1  0.967300  0.559755  0.314909  1
  P  P44  1  0.675655  0.598280  0.410224  1
  P  P45  1  0.967300  0.059755  0.314909  1
  P  P46  1  0.321636  0.579505  0.362605  1
  P  P47  1  0.675655  0.098280  0.410224  1
  P  P48  1  0.321636  0.079505  0.362605  1
  P  P49  1  0.105697  0.357421  0.340275  1
  P  P50  1  0.751678  0.338645  0.292655  1
  P  P51  1  0.105697  0.857421  0.340275  1
  P  P52  1  0.459716  0.376196  0.387894  1
  P  P53  1  0.751678  0.838645  0.292655  1
  P  P54  1  0.459716  0.876196  0.387894  1
  P  P55  1  0.855134  0.409242  0.326902  1
  P  P56  1  0.561670  0.447734  0.423494  1
  P  P57  1  0.855134  0.909242  0.326902  1
  P  P58  1  0.207651  0.428959  0.375875  1
  P  P59  1  0.561670  0.947734  0.423494  1
  P  P60  1  0.207651  0.928959  0.375875  1
  P  P61  1  0.060506  0.384647  0.379823  1
  P  P62  1  0.706487  0.365871  0.332204  1
  P  P63  1  0.060506  0.884647  0.379823  1
  P  P64  1  0.414525  0.403422  0.427442  1
  P  P65  1  0.706487  0.865871  0.332204  1
  P  P66  1  0.414525  0.903422  0.427442  1
  P  P67  1  0.897221  0.383903  0.289999  1
  P  P68  1  0.606862  0.420508  0.383946  1
  P  P69  1  0.897221  0.883903  0.289999  1
  P  P70  1  0.252842  0.401733  0.336327  1
  P  P71  1  0.606862  0.920508  0.383946  1
  P  P72  1  0.252842  0.901733  0.336327  1
  P  P73  1  0.109680  0.324845  0.398858  1
  P  P74  1  0.755661  0.306070  0.351239  1
  P  P75  1  0.109680  0.824845  0.398858  1
  P  P76  1  0.401600  0.290307  0.303240  1
  P  P77  1  0.755661  0.806070  0.351239  1
  P  P78  1  0.401600  0.790307  0.303240  1
  P  P79  1  0.911707  0.499085  0.412529  1
  P  P80  1  0.557688  0.480310  0.364910  1
  P  P81  1  0.911707  0.999085  0.412529  1
  P  P82  1  0.203668  0.461534  0.317291  1
  P  P83  1  0.557688  0.980310  0.364910  1
  P  P84  1  0.203668  0.961534  0.317291  1
  P  P85  1  0.110036  0.413266  0.388178  1
  P  P86  1  0.756016  0.394491  0.340559  1
  P  P87  1  0.110036  0.913266  0.388178  1
  P  P88  1  0.401938  0.372706  0.293258  1
  P  P89  1  0.756016  0.894491  0.340559  1
  P  P90  1  0.401938  0.872706  0.293258  1
  P  P91  1  0.911351  0.410664  0.423209  1
  P  P92  1  0.557332  0.391889  0.375590  1
  P  P93  1  0.911351  0.910664  0.423209  1
  P  P94  1  0.203313  0.373113  0.327971  1
  P  P95  1  0.557332  0.891889  0.375590  1
  P  P96  1  0.203313  0.873113  0.327971  1
  P  P97  1  0.897818  0.171897  0.388014  1
  P  P98  1  0.543798  0.153122  0.340395  1
  P  P99  1  0.897818  0.671897  0.388014  1
  P  P100  1  0.189395  0.135408  0.293174  1
  P  P101  1  0.543798  0.653122  0.340395  1
  P  P102  1  0.189395  0.635408  0.293174  1
  P  P103  1  0.123569  0.652033  0.423374  1
  P  P104  1  0.769550  0.633258  0.375755  1
  P  P105  1  0.123569  0.152033  0.423374  1
  P  P106  1  0.415978  0.613317  0.328127  1
  P  P107  1  0.769550  0.133258  0.375755  1
  P  P108  1  0.415978  0.113317  0.328127  1
  P  P109  1  0.835184  0.181528  0.287714  1
  P  P110  1  0.543277  0.219142  0.383013  1
  P  P111  1  0.835184  0.681528  0.287714  1
  P  P112  1  0.188874  0.199821  0.334867  1
  P  P113  1  0.543277  0.719142  0.383013  1
  P  P114  1  0.188874  0.699821  0.334867  1
  P  P115  1  0.124091  0.586013  0.380756  1
  P  P116  1  0.770071  0.567238  0.333137  1
  P  P117  1  0.124091  0.086013  0.380756  1
  P  P118  1  0.478110  0.604789  0.428375  1
  P  P119  1  0.770071  0.067238  0.333137  1
  P  P120  1  0.478110  0.104789  0.428375  1
  P  P121  1  0.847060  0.231106  0.403205  1
  P  P122  1  0.493041  0.212330  0.355586  1
  P  P123  1  0.847060  0.731106  0.403205  1
  P  P124  1  0.139807  0.193207  0.308044  1
  P  P125  1  0.493041  0.712330  0.355586  1
  P  P126  1  0.139807  0.693207  0.308044  1
  P  P127  1  0.174327  0.592825  0.408182  1
  P  P128  1  0.820308  0.574049  0.360563  1
  P  P129  1  0.174327  0.092825  0.408182  1
  P  P130  1  0.465555  0.555475  0.313275  1
  P  P131  1  0.820308  0.074049  0.360563  1
  P  P132  1  0.465555  0.055475  0.313275  1
  P  P133  1  0.887747  0.260499  0.370293  1
  P  P134  1  0.533728  0.241723  0.322674  1
  P  P135  1  0.887747  0.760499  0.370293  1
  P  P136  1  0.241766  0.279274  0.417912  1
  P  P137  1  0.533728  0.741723  0.322674  1
  P  P138  1  0.241766  0.779274  0.417912  1
  P  P139  1  0.071599  0.507273  0.298185  1
  P  P140  1  0.779620  0.544657  0.393475  1
  P  P141  1  0.071599  0.007273  0.298185  1
  P  P142  1  0.425832  0.526782  0.345474  1
  P  P143  1  0.779620  0.044657  0.393475  1
  P  P144  1  0.425832  0.026782  0.345474  1
  P  P145  1  0.049092  0.354403  0.492840  1
  P  P146  1  0.695073  0.335627  0.445220  1
  P  P147  1  0.049092  0.854403  0.492840  1
  P  P148  1  0.403111  0.373179  0.540459  1
  P  P149  1  0.695073  0.835627  0.445220  1
  P  P150  1  0.403111  0.873179  0.540459  1
  P  P151  1  0.034352  0.525855  0.461405  1
  P  P152  1  0.742391  0.563406  0.556643  1
  P  P153  1  0.034352  0.025855  0.461405  1
  P  P154  1  0.388371  0.544630  0.509024  1
  P  P155  1  0.742391  0.063406  0.556643  1
  P  P156  1  0.388371  0.044630  0.509024  1
  P  P157  1  0.056406  0.311958  0.548461  1
  P  P158  1  0.702387  0.293183  0.500842  1
  P  P159  1  0.056406  0.811958  0.548461  1
  P  P160  1  0.348368  0.274407  0.453222  1
  P  P161  1  0.702387  0.793183  0.500842  1
  P  P162  1  0.348368  0.774407  0.453222  1
  P  P163  1  0.089095  0.624626  0.548641  1
  P  P164  1  0.735076  0.605851  0.501022  1
  P  P165  1  0.089095  0.124626  0.548641  1
  P  P166  1  0.381057  0.587075  0.453403  1
  P  P167  1  0.735076  0.105851  0.501022  1
  P  P168  1  0.381057  0.087075  0.453403  1
  P  P169  1  0.100834  0.297301  0.507347  1
  P  P170  1  0.746815  0.278525  0.459728  1
  P  P171  1  0.100834  0.797301  0.507347  1
  P  P172  1  0.454853  0.316076  0.554966  1
  P  P173  1  0.746815  0.778525  0.459728  1
  P  P174  1  0.454853  0.816076  0.554966  1
  P  P175  1  0.982610  0.582957  0.446898  1
  P  P176  1  0.690649  0.620508  0.542136  1
  P  P177  1  0.982610  0.082957  0.446898  1
  P  P178  1  0.336629  0.601733  0.494517  1
  P  P179  1  0.690649  0.120508  0.542136  1
  P  P180  1  0.336629  0.101733  0.494517  1
  P  P181  1  0.053770  0.263202  0.496401  1
  P  P182  1  0.699751  0.244426  0.448782  1
  P  P183  1  0.053770  0.763202  0.496401  1
  P  P184  1  0.407789  0.281977  0.544020  1
  P  P185  1  0.699751  0.744426  0.448782  1
  P  P186  1  0.407789  0.781977  0.544020  1
  P  P187  1  0.029674  0.617056  0.457843  1
  P  P188  1  0.737713  0.654607  0.553081  1
  P  P189  1  0.029674  0.117056  0.457843  1
  P  P190  1  0.383693  0.635832  0.505462  1
  P  P191  1  0.737713  0.154607  0.553081  1
  P  P192  1  0.383693  0.135832  0.505462  1
  P  P193  1  0.167755  0.413748  0.483132  1
  P  P194  1  0.813735  0.394972  0.435513  1
  P  P195  1  0.167755  0.913748  0.483132  1
  P  P196  1  0.521774  0.432523  0.530751  1
  P  P197  1  0.813735  0.894972  0.435513  1
  P  P198  1  0.521774  0.932523  0.530751  1
  P  P199  1  0.915690  0.466510  0.471113  1
  P  P200  1  0.623728  0.504061  0.566351  1
  P  P201  1  0.915690  0.966510  0.471113  1
  P  P202  1  0.269709  0.485285  0.518732  1
  P  P203  1  0.623728  0.004061  0.566351  1
  P  P204  1  0.269709  0.985285  0.518732  1
  P  P205  1  0.122563  0.440974  0.522680  1
  P  P206  1  0.768544  0.422198  0.475061  1
  P  P207  1  0.122563  0.940974  0.522680  1
  P  P208  1  0.476582  0.459749  0.570299  1
  P  P209  1  0.768544  0.922198  0.475061  1
  P  P210  1  0.476582  0.959749  0.570299  1
  P  P211  1  0.960881  0.439284  0.431565  1
  P  P212  1  0.668919  0.476835  0.526803  1
  P  P213  1  0.960881  0.939284  0.431565  1
  P  P214  1  0.314900  0.458060  0.479184  1
  P  P215  1  0.668919  0.976835  0.526803  1
  P  P216  1  0.314900  0.958060  0.479184  1
  P  P217  1  0.171737  0.381172  0.541715  1
  P  P218  1  0.817718  0.362396  0.494096  1
  P  P219  1  0.171737  0.881172  0.541715  1
  P  P220  1  0.463699  0.343621  0.446477  1
  P  P221  1  0.817718  0.862396  0.494096  1
  P  P222  1  0.463699  0.843621  0.446477  1
  P  P223  1  0.973764  0.555412  0.555386  1
  P  P224  1  0.619745  0.536637  0.507767  1
  P  P225  1  0.973764  0.055412  0.555386  1
  P  P226  1  0.265726  0.517861  0.460148  1
  P  P227  1  0.619745  0.036637  0.507767  1
  P  P228  1  0.265726  0.017861  0.460148  1
  P  P229  1  0.172093  0.469593  0.531035  1
  P  P230  1  0.818074  0.450818  0.483416  1
  P  P231  1  0.172093  0.969593  0.531035  1
  P  P232  1  0.464055  0.432042  0.435797  1
  P  P233  1  0.818074  0.950818  0.483416  1
  P  P234  1  0.464055  0.932042  0.435797  1
  P  P235  1  0.973409  0.466991  0.566066  1
  P  P236  1  0.619389  0.448216  0.518447  1
  P  P237  1  0.973409  0.966991  0.566066  1
  P  P238  1  0.265370  0.429440  0.470828  1
  P  P239  1  0.619389  0.948216  0.518447  1
  P  P240  1  0.265370  0.929440  0.470828  1
  P  P241  1  0.959875  0.228224  0.530871  1
  P  P242  1  0.605856  0.209449  0.483252  1
  P  P243  1  0.959875  0.728224  0.530871  1
  P  P244  1  0.251837  0.190673  0.435633  1
  P  P245  1  0.605856  0.709449  0.483252  1
  P  P246  1  0.251837  0.690673  0.435633  1
  P  P247  1  0.185626  0.708360  0.566231  1
  P  P248  1  0.831607  0.689585  0.518612  1
  P  P249  1  0.185626  0.208360  0.566231  1
  P  P250  1  0.477588  0.670809  0.470993  1
  P  P251  1  0.831607  0.189585  0.518612  1
  P  P252  1  0.477588  0.170809  0.470993  1
  P  P253  1  0.897296  0.237918  0.430632  1
  P  P254  1  0.605334  0.275469  0.525870  1
  P  P255  1  0.897296  0.737918  0.430632  1
  P  P256  1  0.251315  0.256693  0.478251  1
  P  P257  1  0.605334  0.775469  0.525870  1
  P  P258  1  0.251315  0.756693  0.478251  1
  P  P259  1  0.186148  0.642340  0.523613  1
  P  P260  1  0.832129  0.623564  0.475994  1
  P  P261  1  0.186148  0.142340  0.523613  1
  P  P262  1  0.540167  0.661116  0.571232  1
  P  P263  1  0.832129  0.123564  0.475994  1
  P  P264  1  0.540167  0.161116  0.571232  1
  P  P265  1  0.909117  0.287433  0.546062  1
  P  P266  1  0.555098  0.268657  0.498443  1
  P  P267  1  0.909117  0.787433  0.546062  1
  P  P268  1  0.201079  0.249882  0.450824  1
  P  P269  1  0.555098  0.768657  0.498443  1
  P  P270  1  0.201079  0.749882  0.450824  1
  P  P271  1  0.236384  0.649152  0.551040  1
  P  P272  1  0.882365  0.630376  0.503421  1
  P  P273  1  0.236384  0.149152  0.551040  1
  P  P274  1  0.528346  0.611600  0.455801  1
  P  P275  1  0.882365  0.130376  0.503421  1
  P  P276  1  0.528346  0.111600  0.455801  1
  P  P277  1  0.949805  0.316825  0.513151  1
  P  P278  1  0.595786  0.298050  0.465532  1
  P  P279  1  0.949805  0.816825  0.513151  1
  P  P280  1  0.303824  0.335601  0.560770  1
  P  P281  1  0.595786  0.798050  0.465532  1
  P  P282  1  0.303824  0.835601  0.560770  1
  P  P283  1  0.133639  0.563432  0.441094  1
  P  P284  1  0.841678  0.600983  0.536332  1
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