# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.10086843
_cell_length_b   83.50517666
_cell_length_c   50.98548832
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.34373136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P1008
_cell_volume   93256.7555753
_cell_formula_units_Z   1008
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  0.465401  0.032561  0.313557  1
  P  P2  1  0.903822  0.034341  0.388159  1
  P  P3  1  0.465401  0.532561  0.313557  1
  P  P4  1  0.903822  0.534341  0.388159  1
  P  P5  1  0.616382  0.026310  0.312219  1
  P  P6  1  0.056616  0.029328  0.386013  1
  P  P7  1  0.616382  0.526310  0.312219  1
  P  P8  1  0.056616  0.529328  0.386013  1
  P  P9  1  0.409603  0.340510  0.354653  1
  P  P10  1  0.905931  0.307945  0.269632  1
  P  P11  1  0.409603  0.840510  0.354653  1
  P  P12  1  0.905931  0.807945  0.269632  1
  P  P13  1  0.227075  0.254217  0.371136  1
  P  P14  1  0.802390  0.250875  0.300623  1
  P  P15  1  0.227075  0.754217  0.371136  1
  P  P16  1  0.802390  0.750875  0.300623  1
  P  P17  1  0.511911  0.252751  0.334733  1
  P  P18  1  0.942366  0.255137  0.406879  1
  P  P19  1  0.511911  0.752751  0.334733  1
  P  P20  1  0.942366  0.755137  0.406879  1
  P  P21  1  0.263759  0.035253  0.405627  1
  P  P22  1  0.822249  0.033018  0.333536  1
  P  P23  1  0.263759  0.535253  0.405627  1
  P  P24  1  0.822249  0.533018  0.333536  1
  P  P25  1  0.297716  0.222738  0.338990  1
  P  P26  1  0.726574  0.224190  0.410214  1
  P  P27  1  0.297716  0.722738  0.338990  1
  P  P28  1  0.726574  0.724190  0.410214  1
  P  P29  1  0.121790  0.341956  0.389650  1
  P  P30  1  0.692208  0.339074  0.317775  1
  P  P31  1  0.121790  0.841956  0.389650  1
  P  P32  1  0.692208  0.839074  0.317775  1
  P  P33  1  0.261842  0.219231  0.401893  1
  P  P34  1  0.839826  0.215468  0.332062  1
  P  P35  1  0.261842  0.719231  0.401893  1
  P  P36  1  0.839826  0.715468  0.332062  1
  P  P37  1  0.405346  0.218717  0.383863  1
  P  P38  1  0.975204  0.218900  0.311942  1
  P  P39  1  0.405346  0.718717  0.383863  1
  P  P40  1  0.975204  0.718900  0.311942  1
  P  P41  1  0.192123  0.248169  0.309282  1
  P  P42  1  0.620691  0.248964  0.380119  1
  P  P43  1  0.192123  0.748169  0.309282  1
  P  P44  1  0.620691  0.748964  0.380119  1
  P  P45  1  0.941422  0.473361  0.273963  1
  P  P46  1  0.387038  0.474355  0.346725  1
  P  P47  1  0.941422  0.973361  0.273963  1
  P  P48  1  0.387038  0.974355  0.346725  1
  P  P49  1  0.489809  0.088323  0.370713  1
  P  P50  1  0.053286  0.082920  0.295887  1
  P  P51  1  0.489809  0.588323  0.370713  1
  P  P52  1  0.053286  0.582920  0.295887  1
  P  P53  1  0.751741  0.444977  0.407888  1
  P  P54  1  0.313620  0.444908  0.332488  1
  P  P55  1  0.751741  0.944977  0.407888  1
  P  P56  1  0.313620  0.944908  0.332488  1
  P  P57  1  0.215637  0.090035  0.405425  1
  P  P58  1  0.776059  0.087206  0.332564  1
  P  P59  1  0.215637  0.590035  0.405425  1
  P  P60  1  0.776059  0.587206  0.332564  1
  P  P61  1  0.328984  0.188132  0.369672  1
  P  P62  1  0.942488  0.183702  0.309520  1
  P  P63  1  0.328984  0.688132  0.369672  1
  P  P64  1  0.942488  0.683702  0.309520  1
  P  P65  1  0.335306  0.250244  0.416582  1
  P  P66  1  0.906404  0.249020  0.345312  1
  P  P67  1  0.335306  0.750244  0.416582  1
  P  P68  1  0.906404  0.749020  0.345312  1
  P  P69  1  0.084225  0.314533  0.311795  1
  P  P70  1  0.513563  0.315388  0.382464  1
  P  P71  1  0.084225  0.814533  0.311795  1
  P  P72  1  0.513563  0.815388  0.382464  1
  P  P73  1  0.252673  0.024592  0.294029  1
  P  P74  1  0.696605  0.028521  0.367406  1
  P  P75  1  0.252673  0.524592  0.294029  1
  P  P76  1  0.696605  0.528521  0.367406  1
  P  P77  1  0.186168  0.504133  0.394994  1
  P  P78  1  0.746585  0.502734  0.320828  1
  P  P79  1  0.186168  1.004133  0.394994  1
  P  P80  1  0.746585  1.002734  0.320828  1
  P  P81  1  0.494633  0.060469  0.414589  1
  P  P82  1  0.052733  0.057559  0.341558  1
  P  P83  1  0.494633  0.560469  0.414589  1
  P  P84  1  0.052733  0.557559  0.341558  1
  P  P85  1  0.739617  0.032608  0.279029  1
  P  P86  1  0.183312  0.033592  0.350962  1
  P  P87  1  0.739617  0.532608  0.279029  1
  P  P88  1  0.183312  0.533592  0.350962  1
  P  P89  1  0.336261  0.310384  0.338985  1
  P  P90  1  0.763991  0.311945  0.410021  1
  P  P91  1  0.336261  0.810384  0.338985  1
  P  P92  1  0.763991  0.811945  0.410021  1
  P  P93  1  0.440666  0.221715  0.320538  1
  P  P94  1  0.869308  0.224519  0.392699  1
  P  P95  1  0.440666  0.721715  0.320538  1
  P  P96  1  0.869308  0.724519  0.392699  1
  P  P97  1  0.264990  0.341230  0.370898  1
  P  P98  1  0.833519  0.338333  0.299839  1
  P  P99  1  0.264990  0.841230  0.370898  1
  P  P100  1  0.833519  0.838333  0.299839  1
  P  P101  1  0.478405  0.309428  0.320836  1
  P  P102  1  0.906702  0.311632  0.392317  1
  P  P103  1  0.478405  0.809428  0.320836  1
  P  P104  1  0.906702  0.811632  0.392317  1
  P  P105  1  0.956807  0.444032  0.315009  1
  P  P106  1  0.396883  0.444752  0.387980  1
  P  P107  1  0.956807  0.944032  0.315009  1
  P  P108  1  0.396883  0.944752  0.387980  1
  P  P109  1  0.978594  0.342233  0.407790  1
  P  P110  1  0.550465  0.339900  0.335858  1
  P  P111  1  0.978594  0.842233  0.407790  1
  P  P112  1  0.550465  0.839900  0.335858  1
  P  P113  1  0.979010  0.498130  0.375911  1
  P  P114  1  0.537075  0.495539  0.301744  1
  P  P115  1  0.979010  0.998130  0.375911  1
  P  P116  1  0.537075  0.995539  0.301744  1
  P  P117  1  0.090623  0.465314  0.273673  1
  P  P118  1  0.539323  0.467611  0.346073  1
  P  P119  1  0.090623  0.965314  0.273673  1
  P  P120  1  0.539323  0.967611  0.346073  1
  P  P121  1  0.085317  0.254620  0.388910  1
  P  P122  1  0.656297  0.252241  0.317246  1
  P  P123  1  0.085317  0.754620  0.388910  1
  P  P124  1  0.656297  0.752241  0.317246  1
  P  P125  1  0.441453  0.284649  0.367639  1
  P  P126  1  0.014456  0.283685  0.296912  1
  P  P127  1  0.441453  0.784649  0.367639  1
  P  P128  1  0.014456  0.783685  0.296912  1
  P  P129  1  0.223881  0.444710  0.280653  1
  P  P130  1  0.668149  0.444050  0.353259  1
  P  P131  1  0.223881  0.944710  0.280653  1
  P  P132  1  0.668149  0.944050  0.353259  1
  P  P133  1  0.693125  0.057377  0.324584  1
  P  P134  1  0.135137  0.060197  0.396012  1
  P  P135  1  0.693125  0.557377  0.324584  1
  P  P136  1  0.135137  0.560197  0.396012  1
  P  P137  1  0.154995  0.222708  0.355880  1
  P  P138  1  0.729321  0.220773  0.288612  1
  P  P139  1  0.154995  0.722708  0.355880  1
  P  P140  1  0.729321  0.720773  0.288612  1
  P  P141  1  0.263536  0.216494  0.278955  1
  P  P142  1  0.694064  0.217037  0.349027  1
  P  P143  1  0.263536  0.716494  0.278955  1
  P  P144  1  0.694064  0.717037  0.349027  1
  P  P145  1  0.228446  0.317346  0.418935  1
  P  P146  1  0.799003  0.314796  0.346751  1
  P  P147  1  0.228446  0.817346  0.418935  1
  P  P148  1  0.799003  0.814796  0.346751  1
  P  P149  1  0.050073  0.248961  0.326968  1
  P  P150  1  0.478546  0.249599  0.398415  1
  P  P151  1  0.050073  0.748961  0.326968  1
  P  P152  1  0.478546  0.749599  0.398415  1
  P  P153  1  0.700155  0.499353  0.411315  1
  P  P154  1  0.256932  0.497193  0.338561  1
  P  P155  1  0.700155  0.999353  0.411315  1
  P  P156  1  0.256932  0.997193  0.338561  1
  P  P157  1  0.620691  0.064943  0.380238  1
  P  P158  1  0.183296  0.061278  0.306423  1
  P  P159  1  0.620691  0.564943  0.380238  1
  P  P160  1  0.183296  0.561278  0.306423  1
  P  P161  1  0.156378  0.286020  0.404175  1
  P  P162  1  0.727283  0.283301  0.331465  1
  P  P163  1  0.156378  0.786020  0.404175  1
  P  P164  1  0.727283  0.783301  0.331465  1
  P  P165  1  0.417508  0.029319  0.404170  1
  P  P166  1  0.974525  0.026762  0.331467  1
  P  P167  1  0.417508  0.529319  0.404170  1
  P  P168  1  0.974525  0.526762  0.331467  1
  P  P169  1  0.156049  0.344399  0.328084  1
  P  P170  1  0.582847  0.345872  0.397367  1
  P  P171  1  0.156049  0.844399  0.328084  1
  P  P172  1  0.582847  0.845872  0.397367  1
  P  P173  1  0.370597  0.316521  0.400706  1
  P  P174  1  0.941677  0.314988  0.329622  1
  P  P175  1  0.370597  0.816521  0.400706  1
  P  P176  1  0.941677  0.814988  0.329622  1
  P  P177  1  0.022086  0.502382  0.284663  1
  P  P178  1  0.466437  0.504001  0.357677  1
  P  P179  1  0.022086  1.002382  0.284663  1
  P  P180  1  0.466437  1.004001  0.357677  1
  P  P181  1  0.901631  0.466934  0.364080  1
  P  P182  1  0.455097  0.466046  0.292358  1
  P  P183  1  0.901631  0.966934  0.364080  1
  P  P184  1  0.455097  0.966046  0.292358  1
  P  P185  1  0.545135  0.034083  0.368963  1
  P  P186  1  0.102706  0.031887  0.295997  1
  P  P187  1  0.545135  0.534083  0.368963  1
  P  P188  1  0.102706  0.531887  0.295997  1
  P  P189  1  0.406646  0.278553  0.306345  1
  P  P190  1  0.834707  0.280264  0.377471  1
  P  P191  1  0.406646  0.778553  0.306345  1
  P  P192  1  0.834707  0.780264  0.377471  1
  P  P193  1  0.032262  0.443800  0.371770  1
  P  P194  1  0.587468  0.445188  0.298452  1
  P  P195  1  0.032262  0.943800  0.371770  1
  P  P196  1  0.587468  0.945188  0.298452  1
  P  P197  1  0.825965  0.503598  0.377028  1
  P  P198  1  0.385818  0.502949  0.302279  1
  P  P199  1  0.825965  1.003598  0.377028  1
  P  P200  1  0.385818  1.002949  0.302279  1
  P  P201  1  0.414731  0.057343  0.360063  1
  P  P202  1  0.971677  0.053656  0.286412  1
  P  P203  1  0.414731  0.557343  0.360063  1
  P  P204  1  0.971677  0.553656  0.286412  1
  P  P205  1  0.193425  0.310489  0.357497  1
  P  P206  1  0.763010  0.308234  0.285665  1
  P  P207  1  0.193425  0.810489  0.357497  1
  P  P208  1  0.763010  0.808234  0.285665  1
  P  P209  1  0.697653  0.082125  0.279062  1
  P  P210  1  0.133199  0.087131  0.350719  1
  P  P211  1  0.697653  0.582125  0.279062  1
  P  P212  1  0.133199  0.587131  0.350719  1
  P  P213  1  0.366725  0.191363  0.308305  1
  P  P214  1  0.800624  0.192928  0.380739  1
  P  P215  1  0.366725  0.691363  0.308305  1
  P  P216  1  0.800624  0.692928  0.380739  1
  P  P217  1  0.978325  0.280246  0.359745  1
  P  P218  1  0.549596  0.277746  0.289810  1
  P  P219  1  0.978325  0.780246  0.359745  1
  P  P220  1  0.549596  0.777746  0.289810  1
  P  P221  1  0.341611  0.093647  0.372764  1
  P  P222  1  0.906633  0.089971  0.302034  1
  P  P223  1  0.341611  0.593647  0.372764  1
  P  P224  1  0.906633  0.589971  0.302034  1
  P  P225  1  0.333416  0.054305  0.304374  1
  P  P226  1  0.774037  0.059854  0.378520  1
  P  P227  1  0.333416  0.554305  0.304374  1
  P  P228  1  0.774037  0.559854  0.378520  1
  P  P229  1  0.027470  0.473416  0.329232  1
  P  P230  1  0.469093  0.474756  0.402125  1
  P  P231  1  0.027470  0.973416  0.329232  1
  P  P232  1  0.469093  0.974756  0.402125  1
  P  P233  1  0.542037  0.062767  0.325472  1
  P  P234  1  0.981963  0.065575  0.398595  1
  P  P235  1  0.542037  0.562767  0.325472  1
  P  P236  1  0.981963  0.565575  0.398595  1
  P  P237  1  0.748971  0.473478  0.364788  1
  P  P238  1  0.304932  0.473804  0.290622  1
  P  P239  1  0.748971  0.973478  0.364788  1
  P  P240  1  0.304932  0.973804  0.290622  1
  P  P241  1  0.180080  0.467133  0.328492  1
  P  P242  1  0.623291  0.468904  0.400581  1
  P  P243  1  0.180080  0.967133  0.328492  1
  P  P244  1  0.623291  0.968904  0.400581  1
  P  P245  1  0.013478  0.224038  0.373624  1
  P  P246  1  0.585752  0.221435  0.304696  1
  P  P247  1  0.013478  0.724038  0.373624  1
  P  P248  1  0.585752  0.721435  0.304696  1
  P  P249  1  0.471864  0.187635  0.352940  1
  P  P250  1  0.946063  0.192908  0.368157  1
  P  P251  1  0.471864  0.687635  0.352940  1
  P  P252  1  0.946063  0.692908  0.368157  1
  P  P253  1  0.121554  0.279917  0.342348  1
  P  P254  1  0.549885  0.280721  0.413161  1
  P  P255  1  0.121554  0.779917  0.342348  1
  P  P256  1  0.549885  0.780721  0.413161  1
  P  P257  1  0.897040  0.496364  0.321674  1
  P  P258  1  0.338816  0.498884  0.393561  1
  P  P259  1  0.897040  0.996364  0.321674  1
  P  P260  1  0.338816  0.998884  0.393561  1
  P  P261  1  0.106183  0.437194  0.317132  1
  P  P262  1  0.547187  0.439107  0.389832  1
  P  P263  1  0.106183  0.937194  0.317132  1
  P  P264  1  0.547187  0.939107  0.389832  1
  P  P265  1  0.408708  0.084261  0.316932  1
  P  P266  1  0.852688  0.089755  0.388629  1
  P  P267  1  0.408708  0.584261  0.316932  1
  P  P268  1  0.852688  0.589755  0.388629  1
  P  P269  1  0.342472  0.065632  0.416517  1
  P  P270  1  0.902348  0.062841  0.344590  1
  P  P271  1  0.342472  0.565632  0.416517  1
  P  P272  1  0.902348  0.562841  0.344590  1
  P  P273  1  0.335557  0.027293  0.349080  1
  P  P274  1  0.888546  0.023680  0.277153  1
  P  P275  1  0.335557  0.527293  0.349080  1
  P  P276  1  0.888546  0.523680  0.277153  1
  P  P277  1  0.299265  0.285392  0.386220  1
  P  P278  1  0.870252  0.283563  0.314504  1
  P  P279  1  0.299265  0.785392  0.386220  1
  P  P280  1  0.870252  0.783563  0.314504  1
  P  P281  1  0.263333  0.063997  0.360426  1
  P  P282  1  0.824408  0.060807  0.288976  1
  P  P283  1  0.263333  0.563997  0.360426  1
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  P  P865  1  0.797987  0.455091  0.663213  1
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  P  P913  1  0.943361  0.475355  0.619719  1
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  P  P921  1  0.228101  0.197119  0.572355  1
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  P  P926  1  0.264156  0.285940  0.697642  1
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