# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   27.91403127
_cell_length_b   145.11552426
_cell_length_c   45.96941056
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.93500931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P396
_cell_volume   186090.090592
_cell_formula_units_Z   396
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  0.583733  0.672480  0.312567  1
  P  P2  1  0.083733  0.672480  0.312567  1
  P  P3  1  0.750400  0.339147  0.312567  1
  P  P4  1  0.250400  0.339147  0.312567  1
  P  P5  1  0.681659  0.680887  0.337956  1
  P  P6  1  0.181659  0.680887  0.337956  1
  P  P7  1  0.376422  0.668496  0.300948  1
  P  P8  1  0.876422  0.668496  0.300948  1
  P  P9  1  0.543089  0.335162  0.300948  1
  P  P10  1  0.043089  0.335162  0.300948  1
  P  P11  1  0.709755  0.001829  0.300948  1
  P  P12  1  0.209755  0.001829  0.300948  1
  P  P13  1  0.417067  0.005814  0.312567  1
  P  P14  1  0.917067  0.005814  0.312567  1
  P  P15  1  0.348326  0.347553  0.337956  1
  P  P16  1  0.848326  0.347553  0.337956  1
  P  P17  1  0.514993  0.014220  0.337956  1
  P  P18  1  0.014993  0.014220  0.337956  1
  P  P19  1  0.519576  0.993294  0.317501  1
  P  P20  1  0.019576  0.993294  0.317501  1
  P  P21  1  0.686242  0.659961  0.317501  1
  P  P22  1  0.186242  0.659961  0.317501  1
  P  P23  1  0.740588  0.982039  0.280559  1
  P  P24  1  0.240588  0.982039  0.280559  1
  P  P25  1  0.315329  0.994216  0.325059  1
  P  P26  1  0.815329  0.994216  0.325059  1
  P  P27  1  0.481995  0.660883  0.325059  1
  P  P28  1  0.981995  0.660883  0.325059  1
  P  P29  1  0.648662  0.327549  0.325059  1
  P  P30  1  0.148662  0.327549  0.325059  1
  P  P31  1  0.352909  0.326627  0.317501  1
  P  P32  1  0.852909  0.326627  0.317501  1
  P  P33  1  0.407255  0.648705  0.280559  1
  P  P34  1  0.907255  0.648705  0.280559  1
  P  P35  1  0.573922  0.315372  0.280559  1
  P  P36  1  0.073922  0.315372  0.280559  1
  P  P37  1  0.491433  0.681695  0.344343  1
  P  P38  1  0.991433  0.681695  0.344343  1
  P  P39  1  0.658100  0.348361  0.344343  1
  P  P40  1  0.158100  0.348361  0.344343  1
  P  P41  1  0.592343  0.677999  0.380885  1
  P  P42  1  0.092343  0.677999  0.380885  1
  P  P43  1  0.285347  0.669121  0.344181  1
  P  P44  1  0.785347  0.669121  0.344181  1
  P  P45  1  0.452014  0.335788  0.344181  1
  P  P46  1  0.952014  0.335788  0.344181  1
  P  P47  1  0.618680  0.002454  0.344181  1
  P  P48  1  0.118680  0.002454  0.344181  1
  P  P49  1  0.324766  0.015028  0.344343  1
  P  P50  1  0.824766  0.015028  0.344343  1
  P  P51  1  0.259010  0.344666  0.380885  1
  P  P52  1  0.759010  0.344666  0.380885  1
  P  P53  1  0.425676  0.011333  0.380885  1
  P  P54  1  0.925676  0.011333  0.380885  1
  P  P55  1  0.421949  0.989941  0.359574  1
  P  P56  1  0.921949  0.989941  0.359574  1
  P  P57  1  0.588616  0.656607  0.359574  1
  P  P58  1  0.088616  0.656607  0.359574  1
  P  P59  1  0.627326  0.984176  0.306916  1
  P  P60  1  0.127326  0.984176  0.306916  1
  P  P61  1  0.218339  0.984655  0.346766  1
  P  P62  1  0.718339  0.984655  0.346766  1
  P  P63  1  0.385006  0.651322  0.346766  1
  P  P64  1  0.885006  0.651322  0.346766  1
  P  P65  1  0.551672  0.317988  0.346766  1
  P  P66  1  0.051672  0.317988  0.346766  1
  P  P67  1  0.255283  0.323274  0.359574  1
  P  P68  1  0.755283  0.323274  0.359574  1
  P  P69  1  0.293992  0.650843  0.306916  1
  P  P70  1  0.793992  0.650843  0.306916  1
  P  P71  1  0.460659  0.317510  0.306916  1
  P  P72  1  0.960659  0.317510  0.306916  1
  P  P73  1  0.395172  0.672125  0.369118  1
  P  P74  1  0.895172  0.672125  0.369118  1
  P  P75  1  0.561839  0.338792  0.369118  1
  P  P76  1  0.061839  0.338792  0.369118  1
  P  P77  1  0.498107  0.666282  0.395358  1
  P  P78  1  0.998107  0.666282  0.395358  1
  P  P79  1  0.193385  0.664554  0.386025  1
  P  P80  1  0.693385  0.664554  0.386025  1
  P  P81  1  0.360051  0.331220  0.386025  1
  P  P82  1  0.860051  0.331220  0.386025  1
  P  P83  1  0.526718  0.997887  0.386025  1
  P  P84  1  0.026718  0.997887  0.386025  1
  P  P85  1  0.228506  0.005459  0.369118  1
  P  P86  1  0.728506  0.005459  0.369118  1
  P  P87  1  0.164773  0.332948  0.395358  1
  P  P88  1  0.664773  0.332948  0.395358  1
  P  P89  1  0.331440  -0.000385  0.395358  1
  P  P90  1  0.831440  -0.000385  0.395358  1
  P  P91  1  0.322927  0.978492  0.375765  1
  P  P92  1  0.822927  0.978492  0.375765  1
  P  P93  1  0.489594  0.645159  0.375765  1
  P  P94  1  0.989594  0.645159  0.375765  1
  P  P95  1  0.516561  0.976309  0.361295  1
  P  P96  1  0.016561  0.976309  0.361295  1
  P  P97  1  0.119100  0.983390  0.382366  1
  P  P98  1  0.619100  0.983390  0.382366  1
  P  P99  1  0.285766  0.650056  0.382366  1
  P  P100  1  0.785766  0.650056  0.382366  1
  P  P101  1  0.452433  0.316723  0.382366  1
  P  P102  1  0.952433  0.316723  0.382366  1
  P  P103  1  0.156261  0.311825  0.375765  1
  P  P104  1  0.656261  0.311825  0.375765  1
  P  P105  1  0.183228  0.642976  0.361295  1
  P  P106  1  0.683228  0.642976  0.361295  1
  P  P107  1  0.349894  0.309642  0.361295  1
  P  P108  1  0.849894  0.309642  0.361295  1
  P  P109  1  0.305400  0.669319  0.413871  1
  P  P110  1  0.805400  0.669319  0.413871  1
  P  P111  1  0.472067  0.335986  0.413871  1
  P  P112  1  0.972067  0.335986  0.413871  1
  P  P113  1  0.412171  0.673539  0.440765  1
  P  P114  1  0.912171  0.673539  0.440765  1
  P  P115  1  0.104304  0.661472  0.429445  1
  P  P116  1  0.604304  0.661472  0.429445  1
  P  P117  1  0.270970  0.328139  0.429445  1
  P  P118  1  0.770970  0.328139  0.429445  1
  P  P119  1  0.437637  0.994806  0.429445  1
  P  P120  1  0.937637  0.994806  0.429445  1
  P  P121  1  0.138733  0.002653  0.413871  1
  P  P122  1  0.638733  0.002653  0.413871  1
  P  P123  1  0.078838  0.340206  0.440765  1
  P  P124  1  0.578838  0.340206  0.440765  1
  P  P125  1  0.245505  0.006872  0.440765  1
  P  P126  1  0.745505  0.006872  0.440765  1
  P  P127  1  0.230117  0.987073  0.414002  1
  P  P128  1  0.730117  0.987073  0.414002  1
  P  P129  1  0.396783  0.653739  0.414002  1
  P  P130  1  0.896783  0.653739  0.414002  1
  P  P131  1  0.425059  0.973655  0.407490  1
  P  P132  1  0.925059  0.973655  0.407490  1
  P  P133  1  0.029509  0.979734  0.429889  1
  P  P134  1  0.529509  0.979734  0.429889  1
  P  P135  1  0.196176  0.646401  0.429889  1
  P  P136  1  0.696176  0.646401  0.429889  1
  P  P137  1  0.362842  0.313068  0.429889  1
  P  P138  1  0.862842  0.313068  0.429889  1
  P  P139  1  0.063450  0.320406  0.414002  1
  P  P140  1  0.563450  0.320406  0.414002  1
  P  P141  1  0.091726  0.640322  0.407490  1
  P  P142  1  0.591726  0.640322  0.407490  1
  P  P143  1  0.258393  0.306989  0.407490  1
  P  P144  1  0.758393  0.306989  0.407490  1
  P  P145  1  0.214194  0.666684  0.456395  1
  P  P146  1  0.714194  0.666684  0.456395  1
  P  P147  1  0.380860  0.333351  0.456395  1
  P  P148  1  0.880860  0.333351  0.456395  1
  P  P149  1  0.321951  0.670892  0.484777  1
  P  P150  1  0.821951  0.670892  0.484777  1
  P  P151  1  0.020191  0.672677  0.464159  1
  P  P152  1  0.520191  0.672677  0.464159  1
  P  P153  1  0.186857  0.339343  0.464159  1
  P  P154  1  0.686857  0.339343  0.464159  1
  P  P155  1  0.353524  0.006010  0.464159  1
  P  P156  1  0.853524  0.006010  0.464159  1
  P  P157  1  0.047527  0.000018  0.456395  1
  P  P158  1  0.547527  0.000018  0.456395  1
  P  P159  1  0.988618  0.337559  0.484777  1
  P  P160  1  0.488618  0.337559  0.484777  1
  P  P161  1  0.155285  0.004226  0.484777  1
  P  P162  1  0.655285  0.004226  0.484777  1
  P  P163  1  0.135871  0.984330  0.455371  1
  P  P164  1  0.635871  0.984330  0.455371  1
  P  P165  1  0.302537  0.650997  0.455371  1
  P  P166  1  0.802537  0.650997  0.455371  1
  P  P167  1  0.337442  0.984207  0.444639  1
  P  P168  1  0.837442  0.984207  0.444639  1
  P  P169  1  0.937433  0.978506  0.477539  1
  P  P170  1  0.437433  0.978506  0.477539  1
  P  P171  1  0.104099  0.645173  0.477539  1
  P  P172  1  0.604099  0.645173  0.477539  1
  P  P173  1  0.270766  0.311840  0.477539  1
  P  P174  1  0.770766  0.311840  0.477539  1
  P  P175  1  0.969204  0.317663  0.455371  1
  P  P176  1  0.469204  0.317663  0.455371  1
  P  P177  1  1.004109  0.650874  0.444639  1
  P  P178  1  0.504109  0.650874  0.444639  1
  P  P179  1  0.170775  0.317540  0.444639  1
  P  P180  1  0.670775  0.317540  0.444639  1
  P  P181  1  0.121503  0.666489  0.498528  1
  P  P182  1  0.621503  0.666489  0.498528  1
  P  P183  1  0.288170  0.333156  0.498528  1
  P  P184  1  0.788170  0.333156  0.498528  1
  P  P185  1  0.230335  0.668413  0.527618  1
  P  P186  1  0.730335  0.668413  0.527618  1
  P  P187  1  0.930070  0.674693  0.511527  1
  P  P188  1  0.430070  0.674693  0.511527  1
  P  P189  1  0.096737  0.341360  0.511527  1
  P  P190  1  0.596737  0.341360  0.511527  1
  P  P191  1  0.263403  0.008026  0.511527  1
  P  P192  1  0.763403  0.008026  0.511527  1
  P  P193  1  0.954836  -0.000178  0.498528  1
  P  P194  1  0.454836  -0.000178  0.498528  1
  P  P195  1  0.897001  0.335080  0.527618  1
  P  P196  1  0.397001  0.335080  0.527618  1
  P  P197  1  0.063668  0.001747  0.527618  1
  P  P198  1  0.563668  0.001747  0.527618  1
  P  P199  1  0.043560  0.982179  0.500134  1
  P  P200  1  0.543560  0.982179  0.500134  1
  P  P201  1  0.210227  0.648846  0.500134  1
  P  P202  1  0.710227  0.648846  0.500134  1
  P  P203  1  0.243295  0.988459  0.484043  1
  P  P204  1  0.743295  0.988459  0.484043  1
  P  P205  1  0.852127  0.990383  0.513134  1
  P  P206  1  0.352127  0.990383  0.513134  1
  P  P207  1  0.018794  0.657050  0.513134  1
  P  P208  1  0.518794  0.657050  0.513134  1
  P  P209  1  0.185460  0.323716  0.513134  1
  P  P210  1  0.685460  0.323716  0.513134  1
  P  P211  1  0.876893  0.315512  0.500134  1
  P  P212  1  0.376893  0.315512  0.500134  1
  P  P213  1  0.909962  0.655125  0.484043  1
  P  P214  1  0.409962  0.655125  0.484043  1
  P  P215  1  0.076629  0.321792  0.484043  1
  P  P216  1  0.576629  0.321792  0.484043  1
  P  P217  1  0.036197  0.678366  0.534123  1
  P  P218  1  0.536197  0.678366  0.534123  1
  P  P219  1  0.202864  0.345032  0.534123  1
  P  P220  1  0.702864  0.345032  0.534123  1
  P  P221  1  0.136188  0.672665  0.567022  1
  P  P222  1  0.636188  0.672665  0.567022  1
  P  P223  1  0.837759  0.672542  0.556290  1
  P  P224  1  0.337759  0.672542  0.556290  1
  P  P225  1  1.004426  0.339209  0.556290  1
  P  P226  1  0.504426  0.339209  0.556290  1
  P  P227  1  0.171093  0.005875  0.556290  1
  P  P228  1  0.671093  0.005875  0.556290  1
  P  P229  1  0.869531  0.011699  0.534123  1
  P  P230  1  0.369531  0.011699  0.534123  1
  P  P231  1  0.802855  0.339332  0.567022  1
  P  P232  1  0.302855  0.339332  0.567022  1
  P  P233  1  0.969521  0.005998  0.567022  1
  P  P234  1  0.469521  0.005998  0.567022  1
  P  P235  1  0.953439  0.984195  0.547502  1
  P  P236  1  0.453439  0.984195  0.547502  1
  P  P237  1  0.120106  0.650862  0.547502  1
  P  P238  1  0.620106  0.650862  0.547502  1
  P  P239  1  0.151679  0.985980  0.526885  1
  P  P240  1  0.651679  0.985980  0.526885  1
  P  P241  1  0.759436  0.990188  0.555267  1
  P  P242  1  0.259436  0.990188  0.555267  1
  P  P243  1  0.926103  0.656854  0.555267  1
  P  P244  1  0.426103  0.656854  0.555267  1
  P  P245  1  0.092770  0.323521  0.555267  1
  P  P246  1  0.592770  0.323521  0.555267  1
  P  P247  1  0.786773  0.317529  0.547502  1
  P  P248  1  0.286773  0.317529  0.547502  1
  P  P249  1  0.818345  0.652646  0.526885  1
  P  P250  1  0.318345  0.652646  0.526885  1
  P  P251  1  0.985012  0.319313  0.526885  1
  P  P252  1  0.485012  0.319313  0.526885  1
  P  P253  1  0.944121  0.677138  0.581773  1
  P  P254  1  0.444121  0.677138  0.581773  1
  P  P255  1  0.110788  0.343804  0.581773  1
  P  P256  1  0.610788  0.343804  0.581773  1
  P  P257  1  0.048571  0.683217  0.604171  1
  P  P258  1  0.548571  0.683217  0.604171  1
  P  P259  1  0.743513  0.669799  0.597660  1
  P  P260  1  0.243513  0.669799  0.597660  1
  P  P261  1  0.910180  0.336466  0.597660  1
  P  P262  1  0.410180  0.336466  0.597660  1
  P  P263  1  0.076847  0.003133  0.597660  1
  P  P264  1  0.576847  0.003133  0.597660  1
  P  P265  1  0.777454  0.010471  0.581773  1
  P  P266  1  0.277454  0.010471  0.581773  1
  P  P267  1  0.715237  0.349883  0.604171  1
  P  P268  1  0.215237  0.349883  0.604171  1
  P  P269  1  0.881904  0.016550  0.604171  1
  P  P270  1  0.381904  0.016550  0.604171  1
  P  P271  1  0.869326  0.995400  0.582217  1
  P  P272  1  0.369326  0.995400  0.582217  1
  P  P273  1  0.035993  0.662066  0.582217  1
  P  P274  1  0.535993  0.662066  0.582217  1
  P  P275  1  0.061459  0.983333  0.570896  1
  P  P276  1  0.561459  0.983333  0.570896  1
  P  P277  1  0.668230  0.987553  0.597790  1
  P  P278  1  0.168230  0.987553  0.597790  1
  P  P279  1  0.834897  0.654219  0.597790  1
  P  P280  1  0.334897  0.654219  0.597790  1
  P  P281  1  1.001563  0.320886  0.597790  1
  P  P282  1  0.501563  0.320886  0.597790  1
  P  P283  1  0.702660  0.328733  0.582217  1
  P  P284  1  0.202660  0.328733  0.582217  1
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