# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   49.27247033
_cell_length_b   50.30904907
_cell_length_c   56.80723730
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.95350004
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P648
_cell_volume   140481.58765
_cell_formula_units_Z   648
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  0.251754  0.319047  0.397491  1
  P  P2  1  0.232060  0.633083  0.302364  1
  P  P3  1  0.565394  0.299749  0.302364  1
  P  P4  1  0.241838  0.975001  0.349872  1
  P  P5  1  0.575172  0.641668  0.349872  1
  P  P6  1  0.585088  0.985714  0.397491  1
  P  P7  1  0.908505  0.308335  0.349872  1
  P  P8  1  0.918421  0.652381  0.397491  1
  P  P9  1  0.898727  0.966416  0.302364  1
  P  P10  1  0.253646  0.199670  0.412112  1
  P  P11  1  0.233814  0.511578  0.316874  1
  P  P12  1  0.567147  0.178244  0.316874  1
  P  P13  1  0.243730  0.855624  0.364493  1
  P  P14  1  0.577063  0.522290  0.364493  1
  P  P15  1  0.586979  0.866336  0.412112  1
  P  P16  1  0.910396  0.188957  0.364493  1
  P  P17  1  0.920312  0.533003  0.412112  1
  P  P18  1  0.900480  0.844911  0.316874  1
  P  P19  1  0.226553  0.352963  0.357697  1
  P  P20  1  0.236469  0.697009  0.405316  1
  P  P21  1  0.569803  0.363675  0.405316  1
  P  P22  1  0.216637  0.008917  0.310078  1
  P  P23  1  0.549971  0.675583  0.310078  1
  P  P24  1  0.559887  0.019629  0.357697  1
  P  P25  1  0.883304  0.342250  0.310078  1
  P  P26  1  0.893220  0.686296  0.357697  1
  P  P27  1  0.903136  0.030342  0.405316  1
  P  P28  1  0.246949  0.133615  0.308871  1
  P  P29  1  0.259015  0.477662  0.356668  1
  P  P30  1  0.592348  0.144329  0.356668  1
  P  P31  1  0.268931  0.821708  0.404287  1
  P  P32  1  0.602264  0.488375  0.404287  1
  P  P33  1  0.580282  0.800282  0.308871  1
  P  P34  1  0.935597  0.155042  0.404287  1
  P  P35  1  0.913616  0.466949  0.308871  1
  P  P36  1  0.925681  0.810996  0.356668  1
  P  P37  1  0.289973  0.353124  0.363106  1
  P  P38  1  0.299889  0.697170  0.410725  1
  P  P39  1  0.633222  0.363836  0.410725  1
  P  P40  1  0.280057  0.009078  0.315487  1
  P  P41  1  0.613390  0.675744  0.315487  1
  P  P42  1  0.623306  0.019790  0.363106  1
  P  P43  1  0.946723  0.342411  0.315487  1
  P  P44  1  0.956639  0.686457  0.363106  1
  P  P45  1  0.966555  0.030503  0.410725  1
  P  P46  1  0.187844  0.133465  0.303815  1
  P  P47  1  0.195596  0.477501  0.351259  1
  P  P48  1  0.528929  0.144168  0.351259  1
  P  P49  1  0.205512  0.821547  0.398878  1
  P  P50  1  0.538845  0.488214  0.398878  1
  P  P51  1  0.521177  0.800132  0.303815  1
  P  P52  1  0.872178  0.154881  0.398878  1
  P  P53  1  0.854511  0.466799  0.303815  1
  P  P54  1  0.862262  0.810835  0.351259  1
  P  P55  1  0.255594  0.381473  0.400938  1
  P  P56  1  0.235639  0.691263  0.305586  1
  P  P57  1  0.568972  0.357930  0.305586  1
  P  P58  1  0.245678  0.037427  0.353319  1
  P  P59  1  0.579011  0.704094  0.353319  1
  P  P60  1  0.588927  0.048140  0.400938  1
  P  P61  1  0.912344  0.370761  0.353319  1
  P  P62  1  0.922260  0.714807  0.400938  1
  P  P63  1  0.902305  0.024596  0.305586  1
  P  P64  1  0.249807  0.137244  0.408665  1
  P  P65  1  0.229975  0.449152  0.313427  1
  P  P66  1  0.563308  0.115819  0.313427  1
  P  P67  1  0.239891  0.793198  0.361046  1
  P  P68  1  0.573224  0.459865  0.361046  1
  P  P69  1  0.583140  0.803910  0.408665  1
  P  P70  1  0.906557  0.126531  0.361046  1
  P  P71  1  0.916473  0.470577  0.408665  1
  P  P72  1  0.896641  0.782485  0.313427  1
  P  P73  1  0.360779  0.261907  0.330971  1
  P  P74  1  0.370695  0.605953  0.378590  1
  P  P75  1  0.704029  0.272620  0.378590  1
  P  P76  1  0.380611  0.949999  0.426210  1
  P  P77  1  0.713945  0.616666  0.426210  1
  P  P78  1  0.694113  0.928574  0.330971  1
  P  P79  1  0.047278  0.283332  0.426210  1
  P  P80  1  0.027446  0.595240  0.330971  1
  P  P81  1  0.037362  0.939286  0.378590  1
  P  P82  1  0.114873  0.224672  0.335775  1
  P  P83  1  0.124789  0.568718  0.383394  1
  P  P84  1  0.458122  0.235385  0.383394  1
  P  P85  1  0.104957  0.880626  0.288155  1
  P  P86  1  0.438290  0.547293  0.288155  1
  P  P87  1  0.448206  0.891339  0.335775  1
  P  P88  1  0.771624  0.213959  0.288155  1
  P  P89  1  0.781540  0.558005  0.335775  1
  P  P90  1  0.791456  0.902051  0.383394  1
  P  P91  1  0.297353  0.253049  0.325922  1
  P  P92  1  0.307269  0.597095  0.373541  1
  P  P93  1  0.640603  0.263761  0.373541  1
  P  P94  1  0.317185  0.941141  0.421160  1
  P  P95  1  0.650519  0.607807  0.421160  1
  P  P96  1  0.630687  0.919715  0.325922  1
  P  P97  1  0.983852  0.274474  0.421160  1
  P  P98  1  0.964020  0.586382  0.325922  1
  P  P99  1  0.973936  0.930428  0.373541  1
  P  P100  1  0.178299  0.233530  0.340824  1
  P  P101  1  0.188215  0.577576  0.388443  1
  P  P102  1  0.521548  0.244243  0.388443  1
  P  P103  1  0.168383  0.889484  0.293205  1
  P  P104  1  0.501716  0.556151  0.293205  1
  P  P105  1  0.511632  0.900197  0.340824  1
  P  P106  1  0.835050  0.222818  0.293205  1
  P  P107  1  0.844966  0.566864  0.340824  1
  P  P108  1  0.854882  0.910910  0.388443  1
  P  P109  1  0.330720  0.289772  0.290026  1
  P  P110  1  0.340636  0.633818  0.337645  1
  P  P111  1  0.673969  0.300485  0.337645  1
  P  P112  1  0.350552  0.977864  0.385264  1
  P  P113  1  0.683885  0.644531  0.385264  1
  P  P114  1  0.664053  0.956439  0.290026  1
  P  P115  1  0.017218  0.311198  0.385264  1
  P  P116  1  0.997386  0.623106  0.290026  1
  P  P117  1  0.007302  0.967152  0.337645  1
  P  P118  1  0.144932  0.196807  0.376720  1
  P  P119  1  0.154848  0.540853  0.424339  1
  P  P120  1  0.488182  0.207519  0.424339  1
  P  P121  1  0.135016  0.852761  0.329101  1
  P  P122  1  0.468350  0.519427  0.329101  1
  P  P123  1  0.478266  0.863473  0.376720  1
  P  P124  1  0.801683  0.186094  0.329101  1
  P  P125  1  0.811599  0.530140  0.376720  1
  P  P126  1  0.821515  0.874186  0.424339  1
  P  P127  1  0.335525  0.227882  0.289052  1
  P  P128  1  0.345441  0.571928  0.336671  1
  P  P129  1  0.678774  0.238595  0.336671  1
  P  P130  1  0.355357  0.915974  0.384290  1
  P  P131  1  0.688690  0.582641  0.384290  1
  P  P132  1  0.668858  0.894549  0.289052  1
  P  P133  1  0.022023  0.249308  0.384290  1
  P  P134  1  0.002191  0.561216  0.289052  1
  P  P135  1  0.012107  0.905262  0.336671  1
  P  P136  1  0.140128  0.258697  0.377694  1
  P  P137  1  0.150044  0.602743  0.425313  1
  P  P138  1  0.483377  0.269409  0.425313  1
  P  P139  1  0.130212  0.914651  0.330075  1
  P  P140  1  0.463545  0.581318  0.330075  1
  P  P141  1  0.473461  0.925363  0.377694  1
  P  P142  1  0.796878  0.247984  0.330075  1
  P  P143  1  0.806794  0.592030  0.377694  1
  P  P144  1  0.816710  0.936076  0.425313  1
  P  P145  1  0.123265  0.388253  0.290656  1
  P  P146  1  0.133617  0.733037  0.338124  1
  P  P147  1  0.466950  0.399704  0.338124  1
  P  P148  1  0.143533  0.077083  0.385743  1
  P  P149  1  0.476866  0.743750  0.385743  1
  P  P150  1  0.456599  0.054920  0.290656  1
  P  P151  1  0.810200  0.410417  0.385743  1
  P  P152  1  0.789932  0.721586  0.290656  1
  P  P153  1  0.800284  0.066371  0.338124  1
  P  P154  1  0.351951  0.097588  0.376241  1
  P  P155  1  0.361867  0.441634  0.423860  1
  P  P156  1  0.695201  0.108301  0.423860  1
  P  P157  1  0.342035  0.753542  0.328622  1
  P  P158  1  0.675369  0.420209  0.328622  1
  P  P159  1  0.685285  0.764255  0.376241  1
  P  P160  1  0.008702  0.086875  0.328622  1
  P  P161  1  0.018618  0.430921  0.376241  1
  P  P162  1  0.028534  0.774967  0.423860  1
  P  P163  1  0.126800  0.380196  0.397014  1
  P  P164  1  0.106968  0.692104  0.301776  1
  P  P165  1  0.440302  0.358771  0.301776  1
  P  P166  1  0.116884  0.036150  0.349395  1
  P  P167  1  0.450218  0.702817  0.349395  1
  P  P168  1  0.460134  0.046863  0.397014  1
  P  P169  1  0.783551  0.369484  0.349395  1
  P  P170  1  0.793467  0.713530  0.397014  1
  P  P171  1  0.773635  0.025438  0.301776  1
  P  P172  1  0.378600  0.138521  0.412589  1
  P  P173  1  0.358748  0.450405  0.317348  1
  P  P174  1  0.692081  0.117072  0.317348  1
  P  P175  1  0.368684  0.794475  0.364970  1
  P  P176  1  0.702017  0.461141  0.364970  1
  P  P177  1  0.711933  0.805187  0.412589  1
  P  P178  1  0.035351  0.127808  0.364970  1
  P  P179  1  0.045267  0.471854  0.412589  1
  P  P180  1  0.025414  0.783738  0.317348  1
  P  P181  1  0.069804  0.356405  0.302855  1
  P  P182  1  0.078881  0.700426  0.350576  1
  P  P183  1  0.412214  0.367093  0.350576  1
  P  P184  1  0.088797  0.044472  0.398195  1
  P  P185  1  0.422130  0.711139  0.398195  1
  P  P186  1  0.403137  0.023072  0.302855  1
  P  P187  1  0.755464  0.377806  0.398195  1
  P  P188  1  0.736471  0.689739  0.302855  1
  P  P189  1  0.745548  0.033760  0.350576  1
  P  P190  1  0.406687  0.130199  0.363789  1
  P  P191  1  0.416603  0.474245  0.411408  1
  P  P192  1  0.749936  0.140911  0.411408  1
  P  P193  1  0.396771  0.786153  0.316170  1
  P  P194  1  0.730105  0.452819  0.316170  1
  P  P195  1  0.740021  0.796865  0.363789  1
  P  P196  1  0.063438  0.119486  0.316170  1
  P  P197  1  0.073354  0.463532  0.363789  1
  P  P198  1  0.083270  0.807578  0.411408  1
  P  P199  1  0.123009  0.328285  0.300418  1
  P  P200  1  0.133348  0.671641  0.348089  1
  P  P201  1  0.466682  0.338308  0.348089  1
  P  P202  1  0.143264  0.015687  0.395708  1
  P  P203  1  0.476598  0.682354  0.395708  1
  P  P204  1  0.456342  0.994952  0.300418  1
  P  P205  1  0.809931  0.349021  0.395708  1
  P  P206  1  0.789675  0.661618  0.300418  1
  P  P207  1  0.800015  0.004975  0.348089  1
  P  P208  1  0.352220  0.158984  0.366276  1
  P  P209  1  0.362136  0.503030  0.413895  1
  P  P210  1  0.695469  0.169696  0.413895  1
  P  P211  1  0.342304  0.814938  0.318657  1
  P  P212  1  0.675637  0.481605  0.318657  1
  P  P213  1  0.685553  0.825651  0.366276  1
  P  P214  1  0.008971  0.148271  0.318657  1
  P  P215  1  0.018887  0.492317  0.366276  1
  P  P216  1  0.028803  0.836363  0.413895  1
  P  P217  1  0.281502  0.351185  0.540348  1
  P  P218  1  0.261670  0.663093  0.445110  1
  P  P219  1  0.595004  0.329760  0.445110  1
  P  P220  1  0.271586  0.007139  0.492729  1
  P  P221  1  0.604920  0.673806  0.492729  1
  P  P222  1  0.614836  0.017852  0.540348  1
  P  P223  1  0.938253  0.340473  0.492729  1
  P  P224  1  0.948169  0.684519  0.540348  1
  P  P225  1  0.928337  0.996427  0.445110  1
  P  P226  1  0.283394  0.231808  0.554969  1
  P  P227  1  0.263562  0.543716  0.459731  1
  P  P228  1  0.596895  0.210382  0.459731  1
  P  P229  1  0.273478  0.887762  0.507350  1
  P  P230  1  0.606811  0.554428  0.507350  1
  P  P231  1  0.616727  0.898474  0.554969  1
  P  P232  1  0.940144  0.221095  0.507350  1
  P  P233  1  0.950060  0.565141  0.554969  1
  P  P234  1  0.930228  0.877049  0.459731  1
  P  P235  1  0.256301  0.385101  0.500555  1
  P  P236  1  0.266217  0.729147  0.548174  1
  P  P237  1  0.599551  0.395813  0.548174  1
  P  P238  1  0.246385  0.041055  0.452936  1
  P  P239  1  0.579719  0.707721  0.452936  1
  P  P240  1  0.589635  0.051767  0.500555  1
  P  P241  1  0.913052  0.374388  0.452936  1
  P  P242  1  0.922968  0.718434  0.500555  1
  P  P243  1  0.932884  0.062480  0.548174  1
  P  P244  1  0.278847  0.165754  0.451906  1
  P  P245  1  0.288763  0.509800  0.499525  1
  P  P246  1  0.622096  0.176467  0.499525  1
  P  P247  1  0.298679  0.853846  0.547144  1
  P  P248  1  0.632012  0.520513  0.547144  1
  P  P249  1  0.612180  0.832421  0.451906  1
  P  P250  1  0.965345  0.187180  0.547144  1
  P  P251  1  0.945513  0.499088  0.451906  1
  P  P252  1  0.955429  0.843134  0.499525  1
  P  P253  1  0.319721  0.385262  0.505963  1
  P  P254  1  0.329637  0.729308  0.553582  1
  P  P255  1  0.662970  0.395974  0.553582  1
  P  P256  1  0.309805  0.041216  0.458344  1
  P  P257  1  0.643138  0.707882  0.458344  1
  P  P258  1  0.653054  0.051928  0.505963  1
  P  P259  1  0.976471  0.374549  0.458344  1
  P  P260  1  0.986387  0.718595  0.505963  1
  P  P261  1  0.996303  0.062641  0.553582  1
  P  P262  1  0.215428  0.165593  0.446497  1
  P  P263  1  0.225344  0.509639  0.494116  1
  P  P264  1  0.558677  0.176306  0.494116  1
  P  P265  1  0.235260  0.853685  0.541735  1
  P  P266  1  0.568593  0.520352  0.541735  1
  P  P267  1  0.548761  0.832260  0.446497  1
  P  P268  1  0.901926  0.187019  0.541735  1
  P  P269  1  0.882094  0.498927  0.446497  1
  P  P270  1  0.892010  0.842973  0.494116  1
  P  P271  1  0.285342  0.413611  0.543795  1
  P  P272  1  0.265510  0.725519  0.448557  1
  P  P273  1  0.598843  0.392186  0.448557  1
  P  P274  1  0.275426  0.069565  0.496176  1
  P  P275  1  0.608759  0.736232  0.496176  1
  P  P276  1  0.618675  0.080278  0.543795  1
  P  P277  1  0.942092  0.402898  0.496176  1
  P  P278  1  0.952008  0.746944  0.543795  1
  P  P279  1  0.932176  0.058853  0.448557  1
  P  P280  1  0.279555  0.169382  0.551523  1
  P  P281  1  0.259723  0.481290  0.456284  1
  P  P282  1  0.593056  0.147956  0.456284  1
  P  P283  1  0.269639  0.825336  0.503903  1
  P  P284  1  0.602972  0.492002  0.503903  1
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  P  P577  1  0.183197  0.453267  0.576220  1
  P  P578  1  0.193113  0.797313  0.623839  1
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  P  P582  1  0.516530  0.119934  0.576220  1
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  P  P586  1  0.411447  0.161864  0.661955  1
  P  P587  1  0.421799  0.506648  0.709424  1
  P  P588  1  0.755132  0.173315  0.709424  1
  P  P589  1  0.401531  0.817818  0.614336  1
  P  P590  1  0.734865  0.484484  0.614336  1
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  P  P593  1  0.078114  0.495197  0.661955  1
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  P  P599  1  0.509714  0.767093  0.635109  1
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  P  P601  1  0.843047  0.433760  0.635109  1
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  P  P613  1  0.128461  0.420656  0.588671  1
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  P  P615  1  0.471710  0.431369  0.636290  1
  P  P616  1  0.148293  0.108748  0.683909  1
  P  P617  1  0.481626  0.775415  0.683909  1
  P  P618  1  0.461794  0.087323  0.588671  1
  P  P619  1  0.814960  0.442082  0.683909  1
  P  P620  1  0.795128  0.753990  0.588671  1
  P  P621  1  0.805044  0.098036  0.636290  1
  P  P622  1  0.466183  0.194475  0.649503  1
  P  P623  1  0.475260  0.538496  0.697224  1
  P  P624  1  0.808594  0.205162  0.697224  1
  P  P625  1  0.456267  0.850429  0.601884  1
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  P  P627  1  0.799516  0.861141  0.649503  1
  P  P628  1  0.122934  0.183762  0.601884  1
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  P  P631  1  0.182928  0.391871  0.586184  1
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  P  P638  1  0.849595  0.725204  0.586184  1
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  P  P640  1  0.411716  0.223260  0.651991  1
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  P  P642  1  0.755389  0.233283  0.699661  1
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