# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   55.03224975
_cell_length_b   61.99238802
_cell_length_c   51.08754506
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.34828693
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P864
_cell_volume   161198.338804
_cell_formula_units_Z   864
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  0.522665  0.232566  0.391725  1
  P  P2  1  0.380965  0.188604  0.475059  1
  P  P3  1  0.189332  0.899233  0.391725  1
  P  P4  1  0.164349  0.275920  0.308029  1
  P  P5  1  0.047631  0.855271  0.475059  1
  P  P6  1  0.022665  0.232566  0.391725  1
  P  P7  1  0.855999  0.565900  0.391725  1
  P  P8  1  0.880965  0.188604  0.475059  1
  P  P9  1  0.831016  0.942586  0.308029  1
  P  P10  1  0.714298  0.521937  0.475059  1
  P  P11  1  0.689332  0.899233  0.391725  1
  P  P12  1  0.664349  0.275920  0.308029  1
  P  P13  1  0.547631  0.855271  0.475059  1
  P  P14  1  0.497682  0.609253  0.308029  1
  P  P15  1  0.355999  0.565900  0.391725  1
  P  P16  1  0.331016  0.942586  0.308029  1
  P  P17  1  0.214298  0.521937  0.475059  1
  P  P18  1  0.997682  0.609253  0.308029  1
  P  P19  1  0.561987  0.328925  0.441889  1
  P  P20  1  0.345388  0.416850  0.275223  1
  P  P21  1  0.228653  0.995592  0.441889  1
  P  P22  1  0.203687  0.372887  0.358556  1
  P  P23  1  0.012055  0.083516  0.275223  1
  P  P24  1  0.061987  0.328925  0.441889  1
  P  P25  1  0.895320  0.662258  0.441889  1
  P  P26  1  0.845388  0.416850  0.275223  1
  P  P27  1  0.870354  0.039554  0.358556  1
  P  P28  1  0.678721  0.750183  0.275223  1
  P  P29  1  0.728653  0.995592  0.441889  1
  P  P30  1  0.703687  0.372887  0.358556  1
  P  P31  1  0.512055  0.083516  0.275223  1
  P  P32  1  0.537021  0.706221  0.358556  1
  P  P33  1  0.395320  0.662258  0.441889  1
  P  P34  1  0.370354  0.039554  0.358556  1
  P  P35  1  0.178721  0.750183  0.275223  1
  P  P36  1  0.037021  0.706221  0.358556  1
  P  P37  1  0.552200  0.204363  0.364073  1
  P  P38  1  0.410499  0.160400  0.447407  1
  P  P39  1  0.218867  0.871029  0.364073  1
  P  P40  1  0.193197  0.248376  0.280999  1
  P  P41  1  0.077166  0.827067  0.447407  1
  P  P42  1  0.052200  0.204363  0.364073  1
  P  P43  1  0.885533  0.537696  0.364073  1
  P  P44  1  0.910499  0.160400  0.447407  1
  P  P45  1  0.859864  0.915042  0.280999  1
  P  P46  1  0.743833  0.493734  0.447407  1
  P  P47  1  0.718867  0.871029  0.364073  1
  P  P48  1  0.693197  0.248376  0.280999  1
  P  P49  1  0.577166  0.827067  0.447407  1
  P  P50  1  0.526530  0.581709  0.280999  1
  P  P51  1  0.385533  0.537696  0.364073  1
  P  P52  1  0.359864  0.915042  0.280999  1
  P  P53  1  0.243833  0.493734  0.447407  1
  P  P54  1  0.026530  0.581709  0.280999  1
  P  P55  1  0.532452  0.357129  0.469541  1
  P  P56  1  0.315853  0.445053  0.302874  1
  P  P57  1  0.199119  0.023795  0.469541  1
  P  P58  1  0.174153  0.401091  0.386208  1
  P  P59  1  0.982520  0.111720  0.302874  1
  P  P60  1  0.032452  0.357129  0.469541  1
  P  P61  1  0.865785  0.690462  0.469541  1
  P  P62  1  0.815853  0.445053  0.302874  1
  P  P63  1  0.840819  0.067758  0.386208  1
  P  P64  1  0.649186  0.778387  0.302874  1
  P  P65  1  0.699119  0.023795  0.469541  1
  P  P66  1  0.674153  0.401091  0.386208  1
  P  P67  1  0.482520  0.111720  0.302874  1
  P  P68  1  0.507486  0.734424  0.386208  1
  P  P69  1  0.365785  0.690462  0.469541  1
  P  P70  1  0.340819  0.067758  0.386208  1
  P  P71  1  0.149186  0.778387  0.302874  1
  P  P72  1  0.007486  0.734424  0.386208  1
  P  P73  1  0.515704  0.222695  0.331354  1
  P  P74  1  0.374003  0.178733  0.414687  1
  P  P75  1  0.182370  0.889362  0.331354  1
  P  P76  1  0.232303  0.134770  0.498020  1
  P  P77  1  0.040670  0.845399  0.414687  1
  P  P78  1  0.015704  0.222695  0.331354  1
  P  P79  1  0.849037  0.556028  0.331354  1
  P  P80  1  0.874003  0.178733  0.414687  1
  P  P81  1  0.898969  0.801437  0.498020  1
  P  P82  1  0.707337  0.512066  0.414687  1
  P  P83  1  0.682370  0.889362  0.331354  1
  P  P84  1  0.732303  0.134770  0.498020  1
  P  P85  1  0.540670  0.845399  0.414687  1
  P  P86  1  0.565636  0.468104  0.498020  1
  P  P87  1  0.349037  0.556028  0.331354  1
  P  P88  1  0.398969  0.801437  0.498020  1
  P  P89  1  0.207337  0.512066  0.414687  1
  P  P90  1  0.065636  0.468104  0.498020  1
  P  P91  1  0.494044  0.470697  0.252252  1
  P  P92  1  0.352349  0.426721  0.335594  1
  P  P93  1  0.160711  0.137364  0.252252  1
  P  P94  1  0.210649  0.382759  0.418928  1
  P  P95  1  0.019016  0.093388  0.335594  1
  P  P96  1  0.994044  0.470697  0.252252  1
  P  P97  1  0.827377  0.804030  0.252252  1
  P  P98  1  0.852349  0.426721  0.335594  1
  P  P99  1  0.877315  0.049425  0.418928  1
  P  P100  1  0.685683  0.760054  0.335594  1
  P  P101  1  0.660711  0.137364  0.252252  1
  P  P102  1  0.710649  0.382759  0.418928  1
  P  P103  1  0.519016  0.093388  0.335594  1
  P  P104  1  0.543982  0.716092  0.418928  1
  P  P105  1  0.327377  0.804030  0.252252  1
  P  P106  1  0.377315  0.049425  0.418928  1
  P  P107  1  0.185683  0.760054  0.335594  1
  P  P108  1  0.043982  0.716092  0.418928  1
  P  P109  1  0.491012  0.181764  0.371434  1
  P  P110  1  0.349311  0.137802  0.454767  1
  P  P111  1  0.157678  0.848431  0.371434  1
  P  P112  1  0.133426  0.226299  0.288195  1
  P  P113  1  0.015978  0.804468  0.454767  1
  P  P114  1  0.991012  0.181764  0.371434  1
  P  P115  1  0.824345  0.515097  0.371434  1
  P  P116  1  0.849311  0.137802  0.454767  1
  P  P117  1  0.800093  0.892965  0.288195  1
  P  P118  1  0.682644  0.471135  0.454767  1
  P  P119  1  0.657678  0.848431  0.371434  1
  P  P120  1  0.633426  0.226299  0.288195  1
  P  P121  1  0.515978  0.804468  0.454767  1
  P  P122  1  0.466760  0.559632  0.288195  1
  P  P123  1  0.324345  0.515097  0.371434  1
  P  P124  1  0.300093  0.892965  0.288195  1
  P  P125  1  0.182644  0.471135  0.454767  1
  P  P126  1  0.966760  0.559632  0.288195  1
  P  P127  1  0.593640  0.379727  0.462181  1
  P  P128  1  0.377041  0.467652  0.295514  1
  P  P129  1  0.260307  0.046394  0.462181  1
  P  P130  1  0.235341  0.423689  0.378847  1
  P  P131  1  0.043708  0.134318  0.295514  1
  P  P132  1  0.093640  0.379727  0.462181  1
  P  P133  1  0.926974  0.713060  0.462181  1
  P  P134  1  0.877041  0.467652  0.295514  1
  P  P135  1  0.902008  0.090356  0.378847  1
  P  P136  1  0.710375  0.800985  0.295514  1
  P  P137  1  0.760307  0.046394  0.462181  1
  P  P138  1  0.735341  0.423689  0.378847  1
  P  P139  1  0.543708  0.134318  0.295514  1
  P  P140  1  0.568674  0.757023  0.378847  1
  P  P141  1  0.426974  0.713060  0.462181  1
  P  P142  1  0.402008  0.090356  0.378847  1
  P  P143  1  0.210375  0.800985  0.295514  1
  P  P144  1  0.068674  0.757023  0.378847  1
  P  P145  1  0.544548  0.325650  0.295398  1
  P  P146  1  0.402848  0.281688  0.378731  1
  P  P147  1  0.211215  0.992317  0.295398  1
  P  P148  1  0.261147  0.237726  0.462065  1
  P  P149  1  0.069515  0.948355  0.378731  1
  P  P150  1  0.044548  0.325650  0.295398  1
  P  P151  1  0.877882  0.658984  0.295398  1
  P  P152  1  0.902848  0.281688  0.378731  1
  P  P153  1  0.927814  0.904392  0.462065  1
  P  P154  1  0.736181  0.615021  0.378731  1
  P  P155  1  0.711215  0.992317  0.295398  1
  P  P156  1  0.761147  0.237726  0.462065  1
  P  P157  1  0.569515  0.948355  0.378731  1
  P  P158  1  0.594481  0.571059  0.462065  1
  P  P159  1  0.377882  0.658984  0.295398  1
  P  P160  1  0.427814  0.904392  0.462065  1
  P  P161  1  0.236181  0.615021  0.378731  1
  P  P162  1  0.094481  0.571059  0.462065  1
  P  P163  1  0.465205  0.367728  0.288217  1
  P  P164  1  0.323505  0.323766  0.371550  1
  P  P165  1  0.131872  0.034395  0.288217  1
  P  P166  1  0.181804  0.279803  0.454883  1
  P  P167  1  0.990171  0.990432  0.371550  1
  P  P168  1  0.965205  0.367728  0.288217  1
  P  P169  1  0.798538  0.701061  0.288217  1
  P  P170  1  0.823505  0.323766  0.371550  1
  P  P171  1  0.848471  0.946470  0.454883  1
  P  P172  1  0.656838  0.657099  0.371550  1
  P  P173  1  0.631872  0.034395  0.288217  1
  P  P174  1  0.681804  0.279803  0.454883  1
  P  P175  1  0.490171  0.990432  0.371550  1
  P  P176  1  0.515137  0.613136  0.454883  1
  P  P177  1  0.298538  0.701061  0.288217  1
  P  P178  1  0.348471  0.946470  0.454883  1
  P  P179  1  0.156838  0.657099  0.371550  1
  P  P180  1  0.015137  0.613136  0.454883  1
  P  P181  1  0.584525  0.314402  0.331292  1
  P  P182  1  0.442824  0.270439  0.414625  1
  P  P183  1  0.251191  0.981068  0.331292  1
  P  P184  1  0.301124  0.226477  0.497959  1
  P  P185  1  0.109491  0.937106  0.414625  1
  P  P186  1  0.084525  0.314402  0.331292  1
  P  P187  1  0.917858  0.647735  0.331292  1
  P  P188  1  0.942824  0.270439  0.414625  1
  P  P189  1  0.967790  0.893143  0.497959  1
  P  P190  1  0.776158  0.603773  0.414625  1
  P  P191  1  0.751191  0.981068  0.331292  1
  P  P192  1  0.801124  0.226477  0.497959  1
  P  P193  1  0.609491  0.937106  0.414625  1
  P  P194  1  0.634457  0.559810  0.497959  1
  P  P195  1  0.417858  0.647735  0.331292  1
  P  P196  1  0.467790  0.893143  0.497959  1
  P  P197  1  0.276158  0.603773  0.414625  1
  P  P198  1  0.134457  0.559810  0.497959  1
  P  P199  1  0.425229  0.378977  0.252323  1
  P  P200  1  0.283528  0.335014  0.335656  1
  P  P201  1  0.091896  0.045643  0.252323  1
  P  P202  1  0.141828  0.291052  0.418989  1
  P  P203  1  0.950195  0.001681  0.335656  1
  P  P204  1  0.925229  0.378977  0.252323  1
  P  P205  1  0.758562  0.712310  0.252323  1
  P  P206  1  0.783528  0.335014  0.335656  1
  P  P207  1  0.808494  0.957719  0.418989  1
  P  P208  1  0.616862  0.668348  0.335656  1
  P  P209  1  0.591896  0.045643  0.252323  1
  P  P210  1  0.641828  0.291052  0.418989  1
  P  P211  1  0.450195  0.001681  0.335656  1
  P  P212  1  0.475161  0.624385  0.418989  1
  P  P213  1  0.258562  0.712310  0.252323  1
  P  P214  1  0.308494  0.957719  0.418989  1
  P  P215  1  0.116862  0.668348  0.335656  1
  P  P216  1  0.975161  0.624385  0.418989  1
  P  P217  1  0.580071  0.301145  0.271685  1
  P  P218  1  0.438371  0.257183  0.355018  1
  P  P219  1  0.246738  0.967812  0.271685  1
  P  P220  1  0.296670  0.213220  0.438351  1
  P  P221  1  0.105037  0.923849  0.355018  1
  P  P222  1  0.080071  0.301145  0.271685  1
  P  P223  1  0.913405  0.634478  0.271685  1
  P  P224  1  0.938371  0.257183  0.355018  1
  P  P225  1  0.963337  0.879887  0.438351  1
  P  P226  1  0.771704  0.590516  0.355018  1
  P  P227  1  0.746738  0.967812  0.271685  1
  P  P228  1  0.796670  0.213220  0.438351  1
  P  P229  1  0.605037  0.923849  0.355018  1
  P  P230  1  0.630004  0.546554  0.438351  1
  P  P231  1  0.413405  0.634478  0.271685  1
  P  P232  1  0.463337  0.879887  0.438351  1
  P  P233  1  0.271704  0.590516  0.355018  1
  P  P234  1  0.130004  0.546554  0.438351  1
  P  P235  1  0.429682  0.392233  0.311930  1
  P  P236  1  0.287982  0.348271  0.395263  1
  P  P237  1  0.096349  0.058900  0.311930  1
  P  P238  1  0.146281  0.304308  0.478597  1
  P  P239  1  0.954648  0.014938  0.395263  1
  P  P240  1  0.929682  0.392233  0.311930  1
  P  P241  1  0.763016  0.725567  0.311930  1
  P  P242  1  0.787982  0.348271  0.395263  1
  P  P243  1  0.812948  0.970975  0.478597  1
  P  P244  1  0.621315  0.681604  0.395263  1
  P  P245  1  0.596349  0.058900  0.311930  1
  P  P246  1  0.646281  0.304308  0.478597  1
  P  P247  1  0.454648  0.014938  0.395263  1
  P  P248  1  0.479615  0.637642  0.478597  1
  P  P249  1  0.263016  0.725567  0.311930  1
  P  P250  1  0.312948  0.970975  0.478597  1
  P  P251  1  0.121315  0.681604  0.395263  1
  P  P252  1  0.979615  0.637642  0.478597  1
  P  P253  1  0.463457  0.309737  0.372032  1
  P  P254  1  0.321757  0.265775  0.455366  1
  P  P255  1  0.130124  0.976404  0.372032  1
  P  P256  1  0.105158  0.353700  0.288699  1
  P  P257  1  0.988424  0.932441  0.455366  1
  P  P258  1  0.963457  0.309737  0.372032  1
  P  P259  1  0.796791  0.643071  0.372032  1
  P  P260  1  0.821757  0.265775  0.455366  1
  P  P261  1  0.771825  0.020366  0.288699  1
  P  P262  1  0.655090  0.599108  0.455366  1
  P  P263  1  0.630124  0.976404  0.372032  1
  P  P264  1  0.605158  0.353700  0.288699  1
  P  P265  1  0.488424  0.932441  0.455366  1
  P  P266  1  0.438491  0.687033  0.288699  1
  P  P267  1  0.296791  0.643071  0.372032  1
  P  P268  1  0.271825  0.020366  0.288699  1
  P  P269  1  0.155090  0.599108  0.455366  1
  P  P270  1  0.938491  0.687033  0.288699  1
  P  P271  1  0.621195  0.251754  0.461582  1
  P  P272  1  0.404596  0.339679  0.294915  1
  P  P273  1  0.287861  0.918421  0.461582  1
  P  P274  1  0.262895  0.295716  0.378249  1
  P  P275  1  0.071262  0.006345  0.294915  1
  P  P276  1  0.121195  0.251754  0.461582  1
  P  P277  1  0.954528  0.585087  0.461582  1
  P  P278  1  0.904596  0.339679  0.294915  1
  P  P279  1  0.929562  0.962383  0.378249  1
  P  P280  1  0.737929  0.673012  0.294915  1
  P  P281  1  0.787861  0.918421  0.461582  1
  P  P282  1  0.762895  0.295716  0.378249  1
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  P  P863  1  0.332172  0.558826  0.695494  1
  P  P864  1  0.115573  0.646751  0.528828  1
