# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.90891339
_cell_length_b   44.60966929
_cell_length_c   54.15893540
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.38822424
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P672
_cell_volume   60053.0892
_cell_formula_units_Z   672
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  0.717733  0.147547  0.383508  1
  P  P2  1  0.217733  0.147547  0.383508  1
  P  P3  1  0.989717  0.099610  0.284930  1
  P  P4  1  0.489717  0.099610  0.284930  1
  P  P5  1  0.049511  0.746628  0.340532  1
  P  P6  1  0.549511  0.746628  0.340532  1
  P  P7  1  0.779616  0.577468  0.355803  1
  P  P8  1  0.279616  0.577468  0.355803  1
  P  P9  1  0.029253  0.577157  0.355909  1
  P  P10  1  0.529253  0.577157  0.355909  1
  P  P11  1  0.675826  0.129503  0.326327  1
  P  P12  1  0.175826  0.129503  0.326327  1
  P  P13  1  0.810510  0.512360  0.342300  1
  P  P14  1  0.310510  0.512360  0.342300  1
  P  P15  1  0.812950  0.772851  0.396983  1
  P  P16  1  0.312950  0.772851  0.396983  1
  P  P17  1  0.922508  0.485876  0.286618  1
  P  P18  1  0.422508  0.485876  0.286618  1
  P  P19  1  0.047733  0.485906  0.286352  1
  P  P20  1  0.547733  0.485906  0.286352  1
  P  P21  1  0.766853  0.551253  0.298855  1
  P  P22  1  0.266853  0.551253  0.298855  1
  P  P23  1  0.737852  0.017981  0.290218  1
  P  P24  1  0.237852  0.017981  0.290218  1
  P  P25  1  0.939434  0.223603  0.307887  1
  P  P26  1  0.439434  0.223603  0.307887  1
  P  P27  1  0.636115  0.961041  0.280125  1
  P  P28  1  0.136115  0.961041  0.280125  1
  P  P29  1  0.698672  0.224359  0.307136  1
  P  P30  1  0.198672  0.224359  0.307136  1
  P  P31  1  0.783786  0.454900  0.382129  1
  P  P32  1  0.283786  0.454900  0.382129  1
  P  P33  1  0.016725  0.551063  0.299116  1
  P  P34  1  0.516725  0.551063  0.299116  1
  P  P35  1  0.592958  0.708384  0.383269  1
  P  P36  1  0.092958  0.708384  0.383269  1
  P  P37  1  0.541645  0.121829  0.343127  1
  P  P38  1  0.041645  0.121829  0.343127  1
  P  P39  1  0.078966  0.071397  0.311748  1
  P  P40  1  0.578966  0.071397  0.311748  1
  P  P41  1  0.891112  0.184338  0.354523  1
  P  P42  1  0.391112  0.184338  0.354523  1
  P  P43  1  0.968438  0.148668  0.383282  1
  P  P44  1  0.468438  0.148668  0.383282  1
  P  P45  1  0.955614  0.682535  0.326183  1
  P  P46  1  0.455614  0.682535  0.326183  1
  P  P47  1  0.934854  0.511684  0.342710  1
  P  P48  1  0.434854  0.511684  0.342710  1
  P  P49  1  0.923939  0.746619  0.340528  1
  P  P50  1  0.423939  0.746619  0.340528  1
  P  P51  1  0.080591  0.682378  0.326065  1
  P  P52  1  0.580591  0.682378  0.326065  1
  P  P53  1  0.688708  0.970423  0.336229  1
  P  P54  1  0.188708  0.970423  0.336229  1
  P  P55  1  0.674625  0.746993  0.340204  1
  P  P56  1  0.174625  0.746993  0.340204  1
  P  P57  1  0.889259  0.036917  0.271946  1
  P  P58  1  0.389259  0.036917  0.271946  1
  P  P59  1  0.833934  0.997984  0.317994  1
  P  P60  1  0.333934  0.997984  0.317994  1
  P  P61  1  0.654395  0.577119  0.355930  1
  P  P62  1  0.154395  0.577119  0.355930  1
  P  P63  1  0.998885  0.643035  0.369395  1
  P  P64  1  0.498885  0.643035  0.369395  1
  P  P65  1  0.923570  0.968414  0.338975  1
  P  P66  1  0.423570  0.968414  0.338975  1
  P  P67  1  0.096191  0.161256  0.295963  1
  P  P68  1  0.596191  0.161256  0.295963  1
  P  P69  1  0.685490  0.511808  0.342741  1
  P  P70  1  0.185490  0.511808  0.342741  1
  P  P71  1  0.797553  0.485669  0.286668  1
  P  P72  1  0.297553  0.485669  0.286668  1
  P  P73  1  0.843333  0.708346  0.383215  1
  P  P74  1  0.343333  0.708346  0.383215  1
  P  P75  1  0.641859  0.551025  0.299098  1
  P  P76  1  0.141859  0.551025  0.299098  1
  P  P77  1  0.629621  0.033444  0.273588  1
  P  P78  1  0.129621  0.033444  0.273588  1
  P  P79  1  0.026227  0.192978  0.335170  1
  P  P80  1  0.526227  0.192978  0.335170  1
  P  P81  1  0.748810  0.642862  0.369330  1
  P  P82  1  0.248810  0.642862  0.369330  1
  P  P83  1  0.789901  0.120009  0.343160  1
  P  P84  1  0.289901  0.120009  0.343160  1
  P  P85  1  0.799160  0.747012  0.340251  1
  P  P86  1  0.299160  0.747012  0.340251  1
  P  P87  1  0.968332  0.708683  0.383296  1
  P  P88  1  0.468332  0.708683  0.383296  1
  P  P89  1  0.831536  0.073191  0.310028  1
  P  P90  1  0.331536  0.073191  0.310028  1
  P  P91  1  0.635970  0.012112  0.376819  1
  P  P92  1  0.135970  0.012112  0.376819  1
  P  P93  1  0.927190  0.130936  0.325992  1
  P  P94  1  0.427190  0.130936  0.325992  1
  P  P95  1  0.986306  0.616884  0.312438  1
  P  P96  1  0.486306  0.616884  0.312438  1
  P  P97  1  0.883856  0.961326  0.279622  1
  P  P98  1  0.383856  0.961326  0.279622  1
  P  P99  1  0.618851  0.084294  0.371393  1
  P  P100  1  0.118851  0.084294  0.371393  1
  P  P101  1  0.843335  0.159427  0.295680  1
  P  P102  1  0.343335  0.159427  0.295680  1
  P  P103  1  0.830460  0.682378  0.326021  1
  P  P104  1  0.330460  0.682378  0.326021  1
  P  P105  1  0.990503  0.246660  0.364590  1
  P  P106  1  0.490503  0.246660  0.364590  1
  P  P107  1  0.841476  0.447259  0.329745  1
  P  P108  1  0.341476  0.447259  0.329745  1
  P  P109  1  0.611107  0.616633  0.312519  1
  P  P110  1  0.111107  0.616633  0.312519  1
  P  P111  1  0.824172  0.229342  0.288629  1
  P  P112  1  0.324172  0.229342  0.288629  1
  P  P113  1  0.642791  0.185264  0.353895  1
  P  P114  1  0.142791  0.185264  0.353895  1
  P  P115  1  0.774088  0.027076  0.357735  1
  P  P116  1  0.274088  0.027076  0.357735  1
  P  P117  1  0.978742  0.170751  0.279502  1
  P  P118  1  0.478742  0.170751  0.279502  1
  P  P119  1  0.520343  0.025078  0.357562  1
  P  P120  1  0.020343  0.025078  0.357562  1
  P  P121  1  0.887770  0.014783  0.377372  1
  P  P122  1  0.387770  0.014783  0.377372  1
  P  P123  1  0.560224  0.511889  0.342503  1
  P  P124  1  0.060224  0.511889  0.342503  1
  P  P125  1  0.966840  0.447742  0.329094  1
  P  P126  1  0.466840  0.447742  0.329094  1
  P  P127  1  0.736101  0.616736  0.312420  1
  P  P128  1  0.236101  0.616736  0.312420  1
  P  P129  1  0.687787  0.055043  0.330760  1
  P  P130  1  0.187787  0.055043  0.330760  1
  P  P131  1  0.793211  0.953860  0.363609  1
  P  P132  1  0.293211  0.953860  0.363609  1
  P  P133  1  0.739661  0.247854  0.365133  1
  P  P134  1  0.239661  0.247854  0.365133  1
  P  P135  1  0.775348  0.191363  0.336707  1
  P  P136  1  0.275348  0.191363  0.336707  1
  P  P137  1  0.735181  0.096554  0.284740  1
  P  P138  1  0.235181  0.096554  0.284740  1
  P  P139  1  0.873999  0.643074  0.369368  1
  P  P140  1  0.373999  0.643074  0.369368  1
  P  P141  1  0.726403  0.168092  0.278821  1
  P  P142  1  0.226403  0.168092  0.278821  1
  P  P143  1  0.672858  0.485765  0.286755  1
  P  P144  1  0.172858  0.485765  0.286755  1
  P  P145  1  0.939625  0.057315  0.330532  1
  P  P146  1  0.439625  0.057315  0.330532  1
  P  P147  1  0.987165  0.014017  0.294113  1
  P  P148  1  0.487165  0.014017  0.294113  1
  P  P149  1  0.705439  0.682253  0.326014  1
  P  P150  1  0.205439  0.682253  0.326014  1
  P  P151  1  0.904701  0.577585  0.355771  1
  P  P152  1  0.404701  0.577585  0.355771  1
  P  P153  1  0.623710  0.642802  0.369365  1
  P  P154  1  0.123710  0.642802  0.369365  1
  P  P155  1  0.584210  0.993309  0.321300  1
  P  P156  1  0.084210  0.993309  0.321300  1
  P  P157  1  0.861248  0.616877  0.312391  1
  P  P158  1  0.361248  0.616877  0.312391  1
  P  P159  1  0.870212  0.086028  0.371345  1
  P  P160  1  0.370212  0.086028  0.371345  1
  P  P161  1  0.718115  0.708293  0.383282  1
  P  P162  1  0.218115  0.708293  0.383282  1
  P  P163  1  0.716526  0.447398  0.330114  1
  P  P164  1  0.216526  0.447398  0.330114  1
  P  P165  1  0.591510  0.447795  0.329247  1
  P  P166  1  0.091510  0.447795  0.329247  1
  P  P167  1  0.892003  0.551285  0.298877  1
  P  P168  1  0.392003  0.551285  0.298877  1
  P  P169  1  0.551748  0.181345  0.496871  1
  P  P170  1  0.051748  0.181345  0.496871  1
  P  P171  1  0.837389  0.141444  0.400663  1
  P  P172  1  0.337389  0.141444  0.400663  1
  P  P173  1  0.878409  0.780630  0.450008  1
  P  P174  1  0.378409  0.780630  0.450008  1
  P  P175  1  0.607680  0.610093  0.466454  1
  P  P176  1  0.107680  0.610093  0.466454  1
  P  P177  1  0.857680  0.609866  0.466446  1
  P  P178  1  0.357680  0.609866  0.466446  1
  P  P179  1  0.509352  0.164878  0.440224  1
  P  P180  1  0.009352  0.164878  0.440224  1
  P  P181  1  0.638735  0.544819  0.452518  1
  P  P182  1  0.138735  0.544819  0.452518  1
  P  P183  1  0.627980  0.780525  0.449752  1
  P  P184  1  0.127980  0.780525  0.449752  1
  P  P185  1  0.750676  0.518393  0.395839  1
  P  P186  1  0.250676  0.518393  0.395839  1
  P  P187  1  0.876360  0.518805  0.395692  1
  P  P188  1  0.376360  0.518805  0.395692  1
  P  P189  1  0.595058  0.583967  0.409161  1
  P  P190  1  0.095058  0.583967  0.409161  1
  P  P191  1  0.560973  0.037888  0.416385  1
  P  P192  1  0.060973  0.037888  0.416385  1
  P  P193  1  0.785233  0.268187  0.422750  1
  P  P194  1  0.285233  0.268187  0.422750  1
  P  P195  1  0.465620  0.977282  0.400776  1
  P  P196  1  0.965620  0.977282  0.400776  1
  P  P197  1  0.540510  0.268041  0.421736  1
  P  P198  1  0.040510  0.268041  0.421736  1
  P  P199  1  0.613030  0.487759  0.492068  1
  P  P200  1  0.113030  0.487759  0.492068  1
  P  P201  1  0.845306  0.584183  0.409315  1
  P  P202  1  0.345306  0.584183  0.409315  1
  P  P203  1  0.421254  0.741675  0.493452  1
  P  P204  1  0.921254  0.741675  0.493452  1
  P  P205  1  0.381894  0.159671  0.457156  1
  P  P206  1  0.881894  0.159671  0.457156  1
  P  P207  1  0.909749  0.100560  0.429092  1
  P  P208  1  0.409749  0.100560  0.429092  1
  P  P209  1  0.731287  0.223905  0.468445  1
  P  P210  1  0.231287  0.223905  0.468445  1
  P  P211  1  0.801420  0.181461  0.497125  1
  P  P212  1  0.301420  0.181461  0.497125  1
  P  P213  1  0.783945  0.715600  0.436712  1
  P  P214  1  0.283945  0.715600  0.436712  1
  P  P215  1  0.762990  0.543996  0.453101  1
  P  P216  1  0.262990  0.543996  0.453101  1
  P  P217  1  0.753252  0.780720  0.449176  1
  P  P218  1  0.253252  0.780720  0.449176  1
  P  P219  1  0.909160  0.716266  0.436240  1
  P  P220  1  0.409160  0.716266  0.436240  1
  P  P221  1  0.508370  0.991011  0.460544  1
  P  P222  1  0.008370  0.991011  0.460544  1
  P  P223  1  0.503210  0.780750  0.450438  1
  P  P224  1  1.003210  0.780750  0.450438  1
  P  P225  1  0.735836  0.076979  0.389377  1
  P  P226  1  0.235836  0.076979  0.389377  1
  P  P227  1  0.679889  0.030398  0.434015  1
  P  P228  1  0.179889  0.030398  0.434015  1
  P  P229  1  0.482686  0.609884  0.466443  1
  P  P230  1  0.982686  0.609884  0.466443  1
  P  P231  1  0.827390  0.676040  0.479972  1
  P  P232  1  0.327390  0.676040  0.479972  1
  P  P233  1  0.750310  0.991086  0.461378  1
  P  P234  1  0.250310  0.991086  0.461378  1
  P  P235  1  0.938016  0.205977  0.411535  1
  P  P236  1  0.438016  0.205977  0.411535  1
  P  P237  1  0.513202  0.544028  0.452960  1
  P  P238  1  0.013202  0.544028  0.452960  1
  P  P239  1  0.625443  0.517876  0.395812  1
  P  P240  1  0.125443  0.517876  0.395812  1
  P  P241  1  0.672095  0.742231  0.493420  1
  P  P242  1  0.172095  0.742231  0.493420  1
  P  P243  1  0.470374  0.584116  0.409308  1
  P  P244  1  0.970374  0.584116  0.409308  1
  P  P245  1  0.487318  0.077934  0.389125  1
  P  P246  1  0.987318  0.077934  0.389125  1
  P  P247  1  0.858442  0.228467  0.451168  1
  P  P248  1  0.358442  0.228467  0.451168  1
  P  P249  1  0.577220  0.676132  0.480016  1
  P  P250  1  0.077220  0.676132  0.480016  1
  P  P251  1  0.631468  0.159201  0.457321  1
  P  P252  1  0.131468  0.159201  0.457321  1
  P  P253  1  0.686439  0.772880  0.396883  1
  P  P254  1  0.186439  0.772880  0.396883  1
  P  P255  1  0.796580  0.742227  0.493454  1
  P  P256  1  0.296580  0.742227  0.493454  1
  P  P257  1  0.659737  0.100800  0.429169  1
  P  P258  1  0.159737  0.100800  0.429169  1
  P  P259  1  0.474543  0.047321  0.491027  1
  P  P260  1  0.974543  0.047321  0.491027  1
  P  P261  1  0.759523  0.164664  0.440524  1
  P  P262  1  0.259523  0.164664  0.440524  1
  P  P263  1  0.814867  0.649998  0.422826  1
  P  P264  1  0.314867  0.649998  0.422826  1
  P  P265  1  0.716875  0.977480  0.400635  1
  P  P266  1  0.216875  0.977480  0.400635  1
  P  P267  1  0.451762  0.116640  0.485834  1
  P  P268  1  0.951762  0.116640  0.485834  1
  P  P269  1  0.687917  0.204782  0.411558  1
  P  P270  1  0.187917  0.204782  0.411558  1
  P  P271  1  0.659318  0.715585  0.436684  1
  P  P272  1  0.159318  0.715585  0.436684  1
  P  P273  1  0.831785  0.285560  0.480573  1
  P  P274  1  0.331785  0.285560  0.480573  1
  P  P275  1  0.669644  0.479613  0.439318  1
  P  P276  1  0.169644  0.479613  0.439318  1
  P  P277  1  0.439881  0.650237  0.422835  1
  P  P278  1  0.939881  0.650237  0.422835  1
  P  P279  1  0.666575  0.272861  0.406082  1
  P  P280  1  0.166575  0.272861  0.406082  1
  P  P281  1  0.481823  0.224405  0.468198  1
  P  P282  1  0.981823  0.224405  0.468198  1
  P  P283  1  0.602181  0.053857  0.474308  1
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