# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.75633853
_cell_length_b   47.37150751
_cell_length_c   52.66590323
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.33633187
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P576
_cell_volume   60558.6823073
_cell_formula_units_Z   576
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  0.627862  0.658651  0.391638  1
  P  P2  1  0.231174  0.724851  0.374771  1
  P  P3  1  0.294529  0.325317  0.391638  1
  P  P4  1  1.025531  0.674128  0.426976  1
  P  P5  1  0.897841  0.391518  0.374771  1
  P  P6  1  0.961196  -0.008016  0.391638  1
  P  P7  1  0.692198  0.340794  0.426976  1
  P  P8  1  0.564508  0.058184  0.374771  1
  P  P9  1  0.358865  0.007461  0.426976  1
  P  P10  1  0.632716  0.592285  0.406851  1
  P  P11  1  0.423190  0.565320  0.440908  1
  P  P12  1  0.299383  0.258952  0.406851  1
  P  P13  1  1.026052  0.525318  0.400882  1
  P  P14  1  0.089856  0.231987  0.440908  1
  P  P15  1  0.966050  0.925618  0.406851  1
  P  P16  1  0.692718  0.191984  0.400882  1
  P  P17  1  0.756523  0.898653  0.440908  1
  P  P18  1  0.359385  0.858651  0.400882  1
  P  P19  1  0.507693  0.620923  0.415096  1
  P  P20  1  0.189664  0.669232  0.414985  1
  P  P21  1  0.174360  0.287589  0.415096  1
  P  P22  1  0.788719  0.704061  0.395695  1
  P  P23  1  0.856330  0.335899  0.414985  1
  P  P24  1  0.841026  0.954256  0.415096  1
  P  P25  1  0.455385  0.370727  0.395695  1
  P  P26  1  0.522997  0.002566  0.414985  1
  P  P27  1  0.122052  0.037394  0.395695  1
  P  P28  1  0.720821  0.541980  0.387447  1
  P  P29  1  0.545930  0.549985  0.440008  1
  P  P30  1  0.387488  0.208647  0.387447  1
  P  P31  1  0.102152  0.479288  0.375433  1
  P  P32  1  0.212597  0.216651  0.440008  1
  P  P33  1  0.054154  0.875314  0.387447  1
  P  P34  1  0.768819  0.145955  0.375433  1
  P  P35  1  0.879264  0.883318  0.440008  1
  P  P36  1  0.435485  0.812622  0.375433  1
  P  P37  1  0.692240  0.712594  0.358680  1
  P  P38  1  0.446321  0.670504  0.386047  1
  P  P39  1  0.358907  0.379261  0.358680  1
  P  P40  1  0.101661  0.707350  0.382923  1
  P  P41  1  0.112987  0.337170  0.386047  1
  P  P42  1  1.025574  0.045928  0.358680  1
  P  P43  1  0.768327  0.374017  0.382923  1
  P  P44  1  0.779654  0.003837  0.386047  1
  P  P45  1  0.434994  0.040683  0.382923  1
  P  P46  1  0.510017  0.569873  0.380432  1
  P  P47  1  0.285832  0.557428  0.432857  1
  P  P48  1  0.176683  0.236540  0.380432  1
  P  P49  1  0.896366  0.522153  0.377167  1
  P  P50  1  0.952498  0.224094  0.432857  1
  P  P51  1  0.843350  0.903206  0.380432  1
  P  P52  1  0.563033  0.188820  0.377167  1
  P  P53  1  0.619165  0.890761  0.432857  1
  P  P54  1  0.229699  0.855487  0.377167  1
  P  P55  1  0.573184  0.856863  0.382740  1
  P  P56  1  0.302343  0.792287  0.399085  1
  P  P57  1  0.239851  0.523530  0.382740  1
  P  P58  1  0.922616  0.858404  0.387850  1
  P  P59  1  0.969010  0.458954  0.399085  1
  P  P60  1  0.906517  0.190196  0.382740  1
  P  P61  1  0.589282  0.525071  0.387850  1
  P  P62  1  0.635676  0.125621  0.399085  1
  P  P63  1  0.255949  0.191738  0.387850  1
  P  P64  1  0.679948  0.717886  0.421562  1
  P  P65  1  0.361820  0.743617  0.376173  1
  P  P66  1  0.346615  0.384553  0.421562  1
  P  P67  1  0.143060  0.718757  0.442935  1
  P  P68  1  1.028487  0.410284  0.376173  1
  P  P69  1  1.013282  0.051220  0.421562  1
  P  P70  1  0.809726  0.385424  0.442935  1
  P  P71  1  0.695154  0.076951  0.376173  1
  P  P72  1  0.476393  0.052091  0.442935  1
  P  P73  1  0.669433  0.823858  0.367910  1
  P  P74  1  0.204028  0.793754  0.353059  1
  P  P75  1  0.336100  0.490524  0.367910  1
  P  P76  1  0.985565  0.805014  0.391670  1
  P  P77  1  0.870694  0.460420  0.353059  1
  P  P78  1  1.002766  0.157191  0.367910  1
  P  P79  1  0.652232  0.471681  0.391670  1
  P  P80  1  0.537361  0.127087  0.353059  1
  P  P81  1  0.318898  0.138347  0.391670  1
  P  P82  1  0.627830  0.758711  0.383362  1
  P  P83  1  0.417600  0.717693  0.424040  1
  P  P84  1  0.294496  0.425378  0.383362  1
  P  P85  1  0.043391  0.749657  0.418305  1
  P  P86  1  0.084267  0.384360  0.424040  1
  P  P87  1  0.961163  0.092045  0.383362  1
  P  P88  1  0.710057  0.416323  0.418305  1
  P  P89  1  0.750933  0.051026  0.424040  1
  P  P90  1  0.376724  0.082990  0.418305  1
  P  P91  1  0.542275  0.794999  0.406802  1
  P  P92  1  0.108819  0.835230  0.349976  1
  P  P93  1  0.208942  0.461666  0.406802  1
  P  P94  1  0.874190  0.809442  0.431784  1
  P  P95  1  0.775486  0.501897  0.349976  1
  P  P96  1  0.875609  0.128332  0.406802  1
  P  P97  1  0.540857  0.476109  0.431784  1
  P  P98  1  0.442153  0.168564  0.349976  1
  P  P99  1  0.207524  0.142776  0.431784  1
  P  P100  1  0.902367  0.747496  0.413609  1
  P  P101  1  0.487971  0.743101  0.372599  1
  P  P102  1  0.569034  0.414163  0.413609  1
  P  P103  1  0.073170  0.768442  0.362522  1
  P  P104  1  0.154638  0.409768  0.372599  1
  P  P105  1  0.235701  0.080830  0.413609  1
  P  P106  1  0.739837  0.435108  0.362522  1
  P  P107  1  0.821305  0.076435  0.372599  1
  P  P108  1  0.406503  0.101775  0.362522  1
  P  P109  1  0.663817  0.521674  0.439654  1
  P  P110  1  0.373386  0.556723  0.385819  1
  P  P111  1  0.330483  0.188341  0.439654  1
  P  P112  1  0.146440  0.516044  0.426763  1
  P  P113  1  0.040053  0.223390  0.385819  1
  P  P114  1  0.997150  0.855007  0.439654  1
  P  P115  1  0.813106  0.182711  0.426763  1
  P  P116  1  0.706720  0.890056  0.385819  1
  P  P117  1  0.479773  0.849378  0.426763  1
  P  P118  1  0.561733  0.696879  0.357415  1
  P  P119  1  0.314841  0.675006  0.394408  1
  P  P120  1  0.228399  0.363546  0.357415  1
  P  P121  1  0.964251  0.704199  0.384509  1
  P  P122  1  0.981507  0.341673  0.394408  1
  P  P123  1  0.895066  0.030212  0.357415  1
  P  P124  1  0.630917  0.370865  0.384509  1
  P  P125  1  0.648174  0.008339  0.394408  1
  P  P126  1  0.297584  0.037532  0.384509  1
  P  P127  1  0.546445  0.711554  0.416868  1
  P  P128  1  0.175373  0.769459  0.406976  1
  P  P129  1  0.213111  0.378221  0.416868  1
  P  P130  1  0.960974  0.718493  0.459700  1
  P  P131  1  0.842039  0.436126  0.406976  1
  P  P132  1  0.879778  0.044888  0.416868  1
  P  P133  1  0.627640  0.385159  0.459700  1
  P  P134  1  0.508706  0.102792  0.406976  1
  P  P135  1  0.294307  0.051826  0.459700  1
  P  P136  1  0.789030  0.842602  0.402353  1
  P  P137  1  0.327701  0.830631  0.347480  1
  P  P138  1  0.455697  0.509269  0.402353  1
  P  P139  1  0.107290  0.820869  0.408917  1
  P  P140  1  0.994368  0.497298  0.347480  1
  P  P141  1  0.122364  0.175936  0.402353  1
  P  P142  1  0.773956  0.487536  0.408917  1
  P  P143  1  0.661034  0.163964  0.347480  1
  P  P144  1  0.440623  0.154202  0.408917  1
  P  P145  1  0.806159  0.646979  0.477065  1
  P  P146  1  0.365821  0.619144  0.417295  1
  P  P147  1  0.472826  0.313645  0.477065  1
  P  P148  1  0.161487  0.599705  0.500583  1
  P  P149  1  0.032488  0.285811  0.417295  1
  P  P150  1  0.139493  0.980312  0.477065  1
  P  P151  1  0.828154  0.266371  0.500583  1
  P  P152  1  0.699155  0.952478  0.417295  1
  P  P153  1  0.494820  0.933038  0.500583  1
  P  P154  1  0.796645  0.518601  0.463141  1
  P  P155  1  0.614314  0.512227  0.542753  1
  P  P156  1  0.463312  0.185267  0.463141  1
  P  P157  1  0.205628  0.547190  0.479278  1
  P  P158  1  0.280981  0.178893  0.542753  1
  P  P159  1  0.129978  0.851934  0.463141  1
  P  P160  1  0.872295  0.213856  0.479278  1
  P  P161  1  0.947647  0.845560  0.542753  1
  P  P162  1  0.538961  0.880523  0.479278  1
  P  P163  1  0.735044  0.619796  0.525144  1
  P  P164  1  0.347144  0.602586  0.476467  1
  P  P165  1  0.401711  0.286462  0.525144  1
  P  P166  1  0.940886  0.650490  0.473549  1
  P  P167  1  1.013811  0.269253  0.476467  1
  P  P168  1  0.068378  0.953129  0.525144  1
  P  P169  1  0.607552  0.317157  0.473549  1
  P  P170  1  0.680477  0.935920  0.476467  1
  P  P171  1  0.274219  -0.016176  0.473549  1
  P  P172  1  0.898068  0.497675  0.431944  1
  P  P173  1  0.696256  0.494831  0.498782  1
  P  P174  1  0.564735  0.164342  0.431944  1
  P  P175  1  0.339176  0.534247  0.487670  1
  P  P176  1  0.362923  0.161497  0.498782  1
  P  P177  1  0.231401  0.831008  0.431944  1
  P  P178  1  1.005842  0.200914  0.487670  1
  P  P179  1  0.029589  0.828164  0.498782  1
  P  P180  1  0.672509  0.867580  0.487670  1
  P  P181  1  0.872556  0.675978  0.427984  1
  P  P182  1  0.630862  0.638677  0.497005  1
  P  P183  1  0.539222  0.342645  0.427984  1
  P  P184  1  0.233226  0.616959  0.448901  1
  P  P185  1  0.297528  0.305344  0.497005  1
  P  P186  1  0.205889  0.009312  0.427984  1
  P  P187  1  0.899892  0.283625  0.448901  1
  P  P188  1  0.964195  0.972011  0.497005  1
  P  P189  1  0.566559  0.950292  0.448901  1
  P  P190  1  0.652194  0.455527  0.453840  1
  P  P191  1  0.459134  0.443001  0.490971  1
  P  P192  1  0.318860  0.122194  0.453840  1
  P  P193  1  1.017821  0.496882  0.455093  1
  P  P194  1  0.125801  0.109667  0.490971  1
  P  P195  1  0.985527  0.788861  0.453840  1
  P  P196  1  0.684488  0.163549  0.455093  1
  P  P197  1  0.792467  0.776334  0.490971  1
  P  P198  1  0.351154  0.830215  0.455093  1
  P  P199  1  0.674017  0.833772  0.427000  1
  P  P200  1  0.458241  0.813141  0.480906  1
  P  P201  1  0.340684  0.500438  0.427000  1
  P  P202  1  0.122086  0.784258  0.462544  1
  P  P203  1  0.124908  0.479808  0.480906  1
  P  P204  1  1.007350  0.167105  0.427000  1
  P  P205  1  0.788752  0.450925  0.462544  1
  P  P206  1  0.791575  0.146475  0.480906  1
  P  P207  1  0.455419  0.117591  0.462544  1
  P  P208  1  0.876969  0.701406  0.504853  1
  P  P209  1  0.457463  0.664067  0.449768  1
  P  P210  1  0.543636  0.368073  0.504853  1
  P  P211  1  0.275934  0.642646  0.507082  1
  P  P212  1  0.124130  0.330734  0.449768  1
  P  P213  1  0.210303  0.034740  0.504853  1
  P  P214  1  0.942600  0.309313  0.507082  1
  P  P215  1  0.790797  -0.002600  0.449768  1
  P  P216  1  0.609267  0.975979  0.507082  1
  P  P217  1  0.742848  0.780902  0.433827  1
  P  P218  1  0.411099  0.782363  0.428433  1
  P  P219  1  0.409514  0.447569  0.433827  1
  P  P220  1  0.158847  0.737647  0.504173  1
  P  P221  1  0.077766  0.449030  0.428433  1
  P  P222  1  0.076181  0.114235  0.433827  1
  P  P223  1  0.825514  0.404313  0.504173  1
  P  P224  1  0.744433  0.115697  0.428433  1
  P  P225  1  0.492181  0.070980  0.504173  1
  P  P226  1  0.807540  0.722314  0.455572  1
  P  P227  1  0.542881  0.689579  0.496966  1
  P  P228  1  0.474206  0.388980  0.455572  1
  P  P229  1  0.213025  0.684357  0.476031  1
  P  P230  1  0.209548  0.356246  0.496966  1
  P  P231  1  0.140873  0.055647  0.455572  1
  P  P232  1  0.879691  0.351023  0.476031  1
  P  P233  1  0.876214  0.022912  0.496966  1
  P  P234  1  0.546358  0.017690  0.476031  1
  P  P235  1  0.667718  0.796236  0.489508  1
  P  P236  1  0.249691  0.772866  0.464270  1
  P  P237  1  0.334384  0.462903  0.489508  1
  P  P238  1  0.031978  0.751106  0.504794  1
  P  P239  1  0.916358  0.439533  0.464270  1
  P  P240  1  1.001051  0.129569  0.489508  1
  P  P241  1  0.698645  0.417773  0.504794  1
  P  P242  1  0.583025  0.106199  0.464270  1
  P  P243  1  0.365311  0.084440  0.504794  1
  P  P244  1  0.062186  0.688830  0.484545  1
  P  P245  1  0.591978  0.664391  0.448694  1
  P  P246  1  0.728853  0.355497  0.484545  1
  P  P247  1  0.286286  0.726733  0.429151  1
  P  P248  1  0.258645  0.331057  0.448694  1
  P  P249  1  0.395520  0.022164  0.484545  1
  P  P250  1  0.952953  0.393399  0.429151  1
  P  P251  1  0.925312  -0.002276  0.448694  1
  P  P252  1  0.619620  0.060066  0.429151  1
  P  P253  1  0.907343  0.497790  0.492119  1
  P  P254  1  0.445178  0.505289  0.467793  1
  P  P255  1  0.574009  0.164457  0.492119  1
  P  P256  1  0.233171  0.499623  0.522093  1
  P  P257  1  0.111844  0.171956  0.467793  1
  P  P258  1  0.240676  0.831124  0.492119  1
  P  P259  1  0.899838  0.166289  0.522093  1
  P  P260  1  0.778511  0.838623  0.467793  1
  P  P261  1  0.566505  0.832956  0.522093  1
  P  P262  1  0.719365  0.661155  0.439506  1
  P  P263  1  0.496944  0.612895  0.478937  1
  P  P264  1  0.386032  0.327822  0.439506  1
  P  P265  1  0.107270  0.637322  0.459796  1
  P  P266  1  0.163610  0.279561  0.478937  1
  P  P267  1  0.052699  -0.005511  0.439506  1
  P  P268  1  0.773937  0.303989  0.459796  1
  P  P269  1  0.830277  0.946228  0.478937  1
  P  P270  1  0.440604  0.970656  0.459796  1
  P  P271  1  0.739324  0.690312  0.504919  1
  P  P272  1  0.331047  0.670111  0.455379  1
  P  P273  1  0.405990  0.356979  0.504919  1
  P  P274  1  0.132402  0.658102  0.523836  1
  P  P275  1  0.997714  0.336777  0.455379  1
  P  P276  1  0.072657  0.023646  0.504919  1
  P  P277  1  0.799069  0.324769  0.523836  1
  P  P278  1  0.664381  0.003444  0.455379  1
  P  P279  1  0.465735  -0.008565  0.523836  1
  P  P280  1  0.902523  0.835650  0.486121  1
  P  P281  1  0.573746  0.823052  0.460019  1
  P  P282  1  0.569190  0.502316  0.486121  1
  P  P283  1  0.346910  0.804305  0.511416  1
  P  P284  1  0.240412  0.489719  0.460019  1
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  P  P574  1  0.307377  0.371749  0.651767  1
  P  P575  1  0.198229  0.050860  0.599342  1
  P  P576  1  0.974044  0.038415  0.651767  1
