# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   44.72424992
_cell_length_b   52.40643350
_cell_length_c   53.68743494
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.60068107
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P576
_cell_volume   120076.967166
_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  0.158765  0.515507  0.373332  1
  P  P2  1  0.158765  0.182174  0.373332  1
  P  P3  1  0.598254  0.504414  0.317777  1
  P  P4  1  0.158765  0.848841  0.373332  1
  P  P5  1  0.598254  0.171080  0.317777  1
  P  P6  1  0.598254  0.837747  0.317777  1
  P  P7  1  0.130892  0.633251  0.349165  1
  P  P8  1  0.130892  0.299917  0.349165  1
  P  P9  1  0.569811  0.622954  0.293602  1
  P  P10  1  0.130892  0.966584  0.349165  1
  P  P11  1  0.569811  0.289621  0.293602  1
  P  P12  1  0.569811  0.956288  0.293602  1
  P  P13  1  0.064733  0.459965  0.310081  1
  P  P14  1  0.064733  0.126632  0.310081  1
  P  P15  1  0.625252  0.471063  0.365646  1
  P  P16  1  0.064733  0.793298  0.310081  1
  P  P17  1  0.625252  0.137729  0.365646  1
  P  P18  1  0.625252  0.804396  0.365646  1
  P  P19  1  0.103893  0.666601  0.301296  1
  P  P20  1  0.103893  0.333268  0.301296  1
  P  P21  1  0.664405  0.677695  0.356851  1
  P  P22  1  0.103893  0.999935  0.301296  1
  P  P23  1  0.664405  0.344362  0.356851  1
  P  P24  1  0.664405  0.011029  0.356851  1
  P  P25  1  0.225526  0.473355  0.372024  1
  P  P26  1  0.225526  0.140022  0.372024  1
  P  P27  1  0.665015  0.462261  0.316469  1
  P  P28  1  0.225526  0.806688  0.372024  1
  P  P29  1  0.665015  0.128928  0.316469  1
  P  P30  1  0.665015  0.795595  0.316469  1
  P  P31  1  0.064131  0.675403  0.350473  1
  P  P32  1  0.064131  0.342070  0.350473  1
  P  P33  1  0.504595  0.664131  0.294886  1
  P  P34  1  0.064131  0.008736  0.350473  1
  P  P35  1  0.504595  0.330797  0.294886  1
  P  P36  1  0.504595  0.997464  0.294886  1
  P  P37  1  0.165530  0.454163  0.375234  1
  P  P38  1  0.165530  0.120830  0.375234  1
  P  P39  1  0.605019  0.443069  0.319679  1
  P  P40  1  0.165530  0.787496  0.375234  1
  P  P41  1  0.605019  0.109736  0.319679  1
  P  P42  1  0.605019  0.776402  0.319679  1
  P  P43  1  0.124127  0.694595  0.347263  1
  P  P44  1  0.124127  0.361262  0.347263  1
  P  P45  1  0.563202  0.682878  0.291736  1
  P  P46  1  0.124127  0.027928  0.347263  1
  P  P47  1  0.563202  0.349545  0.291736  1
  P  P48  1  0.563202  0.016211  0.291736  1
  P  P49  1  0.297686  0.549308  0.331700  1
  P  P50  1  0.297686  0.215974  0.331700  1
  P  P51  1  0.858197  0.560402  0.387255  1
  P  P52  1  0.297686  0.882641  0.331700  1
  P  P53  1  0.858197  0.227068  0.387255  1
  P  P54  1  0.858197  0.893735  0.387255  1
  P  P55  1  0.870945  0.577236  0.279677  1
  P  P56  1  0.870945  0.243903  0.279677  1
  P  P57  1  0.431460  0.588356  0.335242  1
  P  P58  1  0.870945  0.910569  0.279677  1
  P  P59  1  0.431460  0.255023  0.335242  1
  P  P60  1  0.431460  0.921690  0.335242  1
  P  P61  1  0.256496  0.566660  0.379685  1
  P  P62  1  0.256496  0.233326  0.379685  1
  P  P63  1  0.696965  0.555337  0.324108  1
  P  P64  1  0.256496  0.899993  0.379685  1
  P  P65  1  0.696965  0.222004  0.324108  1
  P  P66  1  0.696965  0.888670  0.324108  1
  P  P67  1  0.033161  0.582098  0.342813  1
  P  P68  1  0.033161  0.248765  0.342813  1
  P  P69  1  0.472650  0.571004  0.287257  1
  P  P70  1  0.033161  0.915432  0.342813  1
  P  P71  1  0.472650  0.237671  0.287257  1
  P  P72  1  0.472650  0.904338  0.287257  1
  P  P73  1  0.321664  0.522472  0.383149  1
  P  P74  1  0.321664  0.189139  0.383149  1
  P  P75  1  0.760625  0.512175  0.327506  1
  P  P76  1  0.321664  0.855806  0.383149  1
  P  P77  1  0.760625  0.178842  0.327506  1
  P  P78  1  0.760625  0.845509  0.327506  1
  P  P79  1  0.967993  0.626286  0.339348  1
  P  P80  1  0.967993  0.292952  0.339348  1
  P  P81  1  0.407482  0.615192  0.283793  1
  P  P82  1  0.967993  0.959619  0.339348  1
  P  P83  1  0.407482  0.281858  0.283793  1
  P  P84  1  0.407482  0.948525  0.283793  1
  P  P85  1  0.318597  0.582279  0.373468  1
  P  P86  1  0.318597  0.248946  0.373468  1
  P  P87  1  0.757629  0.570591  0.318011  1
  P  P88  1  0.318597  0.915613  0.373468  1
  P  P89  1  0.757629  0.237258  0.318011  1
  P  P90  1  0.757629  0.903924  0.318011  1
  P  P91  1  0.971059  0.566479  0.349029  1
  P  P92  1  0.971059  0.233145  0.349029  1
  P  P93  1  0.410548  0.555385  0.293473  1
  P  P94  1  0.971059  0.899812  0.349029  1
  P  P95  1  0.410548  0.222051  0.293473  1
  P  P96  1  0.410548  0.888718  0.293473  1
  P  P97  1  0.943375  0.410984  0.321193  1
  P  P98  1  0.943375  0.077651  0.321193  1
  P  P99  1  0.503886  0.422078  0.376749  1
  P  P100  1  0.943375  0.744318  0.321193  1
  P  P101  1  0.503886  0.088745  0.376749  1
  P  P102  1  0.503886  0.755412  0.376749  1
  P  P103  1  0.225897  0.713479  0.290609  1
  P  P104  1  0.225897  0.380146  0.290609  1
  P  P105  1  0.785771  0.726680  0.345748  1
  P  P106  1  0.225897  0.046813  0.290609  1
  P  P107  1  0.785771  0.393346  0.345748  1
  P  P108  1  0.785771  0.060013  0.345748  1
  P  P109  1  0.956730  0.451450  0.359565  1
  P  P110  1  0.956730  0.118117  0.359565  1
  P  P111  1  0.393889  0.440352  0.303661  1
  P  P112  1  0.956730  0.784784  0.359565  1
  P  P113  1  0.393889  0.107019  0.303661  1
  P  P114  1  0.393889  0.773686  0.303661  1
  P  P115  1  0.332927  0.697308  0.362932  1
  P  P116  1  0.332927  0.363974  0.362932  1
  P  P117  1  0.772416  0.686214  0.307377  1
  P  P118  1  0.332927  0.030641  0.362932  1
  P  P119  1  0.772416  0.352881  0.307377  1
  P  P120  1  0.772416  0.019547  0.307377  1
  P  P121  1  0.887531  0.452001  0.348869  1
  P  P122  1  0.887531  0.118667  0.348869  1
  P  P123  1  0.329405  0.440865  0.293651  1
  P  P124  1  0.887531  0.785334  0.348869  1
  P  P125  1  0.329405  0.107532  0.293651  1
  P  P126  1  0.329405  0.774198  0.293651  1
  P  P127  1  0.402126  0.696757  0.373628  1
  P  P128  1  0.402126  0.363424  0.373628  1
  P  P129  1  0.841615  0.685663  0.318072  1
  P  P130  1  0.402126  0.030090  0.373628  1
  P  P131  1  0.841615  0.352330  0.318072  1
  P  P132  1  0.841615  0.018997  0.318072  1
  P  P133  1  0.925505  0.472081  0.308083  1
  P  P134  1  0.925505  0.138747  0.308083  1
  P  P135  1  0.486016  0.483175  0.363639  1
  P  P136  1  0.925505  0.805414  0.308083  1
  P  P137  1  0.486016  0.149841  0.363639  1
  P  P138  1  0.486016  0.816508  0.363639  1
  P  P139  1  0.242548  0.656550  0.302876  1
  P  P140  1  0.242548  0.323217  0.302876  1
  P  P141  1  0.803641  0.665583  0.358858  1
  P  P142  1  0.242548  0.989883  0.302876  1
  P  P143  1  0.803641  0.332250  0.358858  1
  P  P144  1  0.803641  0.998917  0.358858  1
  P  P145  1  0.279787  0.537695  0.484443  1
  P  P146  1  0.279787  0.204362  0.484443  1
  P  P147  1  0.719276  0.526601  0.428888  1
  P  P148  1  0.279787  0.871028  0.484443  1
  P  P149  1  0.719276  0.193268  0.428888  1
  P  P150  1  0.719276  0.859934  0.428888  1
  P  P151  1  0.251914  0.655438  0.460276  1
  P  P152  1  0.251914  0.322105  0.460276  1
  P  P153  1  0.691403  0.644344  0.404720  1
  P  P154  1  0.251914  0.988772  0.460276  1
  P  P155  1  0.691403  0.311011  0.404720  1
  P  P156  1  0.691403  0.977678  0.404720  1
  P  P157  1  0.185763  0.482157  0.421202  1
  P  P158  1  0.185763  0.148823  0.421202  1
  P  P159  1  0.746275  0.493250  0.476757  1
  P  P160  1  0.185763  0.815490  0.421202  1
  P  P161  1  0.746275  0.159917  0.476757  1
  P  P162  1  0.746275  0.826584  0.476757  1
  P  P163  1  0.224916  0.688789  0.412407  1
  P  P164  1  0.224916  0.355456  0.412407  1
  P  P165  1  0.785427  0.699883  0.467962  1
  P  P166  1  0.224916  0.022122  0.412407  1
  P  P167  1  0.785427  0.366549  0.467962  1
  P  P168  1  0.785427  0.033216  0.467962  1
  P  P169  1  0.346549  0.495543  0.483135  1
  P  P170  1  0.346549  0.162209  0.483135  1
  P  P171  1  0.786037  0.484449  0.427580  1
  P  P172  1  0.346549  0.828876  0.483135  1
  P  P173  1  0.786037  0.151115  0.427580  1
  P  P174  1  0.786037  0.817782  0.427580  1
  P  P175  1  0.185153  0.697591  0.461584  1
  P  P176  1  0.185153  0.364257  0.461584  1
  P  P177  1  0.624642  0.686497  0.406028  1
  P  P178  1  0.185153  0.030924  0.461584  1
  P  P179  1  0.624642  0.353163  0.406028  1
  P  P180  1  0.624642  0.019830  0.406028  1
  P  P181  1  0.286552  0.476350  0.486345  1
  P  P182  1  0.286552  0.143017  0.486345  1
  P  P183  1  0.726041  0.465257  0.430790  1
  P  P184  1  0.286552  0.809684  0.486345  1
  P  P185  1  0.726041  0.131923  0.430790  1
  P  P186  1  0.726041  0.798590  0.430790  1
  P  P187  1  0.245149  0.716783  0.458374  1
  P  P188  1  0.245149  0.383449  0.458374  1
  P  P189  1  0.684638  0.705689  0.402818  1
  P  P190  1  0.245149  0.050116  0.458374  1
  P  P191  1  0.684638  0.372356  0.402818  1
  P  P192  1  0.684638  0.039022  0.402818  1
  P  P193  1  0.418708  0.571495  0.442811  1
  P  P194  1  0.418708  0.238162  0.442811  1
  P  P195  1  0.979219  0.582589  0.498366  1
  P  P196  1  0.418708  0.904829  0.442811  1
  P  P197  1  0.979219  0.249256  0.498366  1
  P  P198  1  0.979219  0.915923  0.498366  1
  P  P199  1  0.991971  0.599450  0.390797  1
  P  P200  1  0.991971  0.266117  0.390797  1
  P  P201  1  0.552482  0.610544  0.446353  1
  P  P202  1  0.991971  0.932783  0.390797  1
  P  P203  1  0.552482  0.277211  0.446353  1
  P  P204  1  0.552482  0.943877  0.446353  1
  P  P205  1  0.377518  0.588847  0.490796  1
  P  P206  1  0.377518  0.255514  0.490796  1
  P  P207  1  0.817007  0.577753  0.435240  1
  P  P208  1  0.377518  0.922181  0.490796  1
  P  P209  1  0.817007  0.244420  0.435240  1
  P  P210  1  0.817007  0.911087  0.435240  1
  P  P211  1  0.154184  0.604286  0.453924  1
  P  P212  1  0.154184  0.270953  0.453924  1
  P  P213  1  0.593672  0.593192  0.398368  1
  P  P214  1  0.154184  0.937619  0.453924  1
  P  P215  1  0.593672  0.259859  0.398368  1
  P  P216  1  0.593672  0.926525  0.398368  1
  P  P217  1  0.442686  0.544660  0.494260  1
  P  P218  1  0.442686  0.211327  0.494260  1
  P  P219  1  0.882175  0.533566  0.438704  1
  P  P220  1  0.442686  0.877993  0.494260  1
  P  P221  1  0.882175  0.200233  0.438704  1
  P  P222  1  0.882175  0.866900  0.438704  1
  P  P223  1  0.089015  0.648473  0.450459  1
  P  P224  1  0.089015  0.315140  0.450459  1
  P  P225  1  0.528504  0.637379  0.394904  1
  P  P226  1  0.089015  0.981806  0.450459  1
  P  P227  1  0.528504  0.304046  0.394904  1
  P  P228  1  0.528504  0.970713  0.394904  1
  P  P229  1  0.439620  0.604467  0.484579  1
  P  P230  1  0.439620  0.271134  0.484579  1
  P  P231  1  0.879109  0.593373  0.429024  1
  P  P232  1  0.439620  0.937800  0.484579  1
  P  P233  1  0.879109  0.260040  0.429024  1
  P  P234  1  0.879109  0.926706  0.429024  1
  P  P235  1  0.092082  0.588666  0.460140  1
  P  P236  1  0.092082  0.255333  0.460140  1
  P  P237  1  0.531570  0.577572  0.404584  1
  P  P238  1  0.092082  0.922000  0.460140  1
  P  P239  1  0.531570  0.244239  0.404584  1
  P  P240  1  0.531570  0.910906  0.404584  1
  P  P241  1  0.064397  0.433172  0.432304  1
  P  P242  1  0.064397  0.099839  0.432304  1
  P  P243  1  0.624908  0.444266  0.487860  1
  P  P244  1  0.064397  0.766505  0.432304  1
  P  P245  1  0.624908  0.110933  0.487860  1
  P  P246  1  0.624908  0.777599  0.487860  1
  P  P247  1  0.346282  0.737773  0.401304  1
  P  P248  1  0.346282  0.404440  0.401304  1
  P  P249  1  0.906793  0.748867  0.456860  1
  P  P250  1  0.346282  0.071107  0.401304  1
  P  P251  1  0.906793  0.415534  0.456860  1
  P  P252  1  0.906793  0.082201  0.456860  1
  P  P253  1  0.077752  0.473638  0.470676  1
  P  P254  1  0.077752  0.140304  0.470676  1
  P  P255  1  0.517241  0.462544  0.415121  1
  P  P256  1  0.077752  0.806971  0.470676  1
  P  P257  1  0.517241  0.129211  0.415121  1
  P  P258  1  0.517241  0.795877  0.415121  1
  P  P259  1  0.453949  0.719495  0.474043  1
  P  P260  1  0.453949  0.386162  0.474043  1
  P  P261  1  0.893438  0.708402  0.418488  1
  P  P262  1  0.453949  0.052829  0.474043  1
  P  P263  1  0.893438  0.375068  0.418488  1
  P  P264  1  0.893438  0.041735  0.418488  1
  P  P265  1  0.008553  0.474188  0.459980  1
  P  P266  1  0.008553  0.140855  0.459980  1
  P  P267  1  0.448042  0.463095  0.404425  1
  P  P268  1  0.008553  0.807522  0.459980  1
  P  P269  1  0.448042  0.129761  0.404425  1
  P  P270  1  0.448042  0.796428  0.404425  1
  P  P271  1  0.523148  0.718945  0.484739  1
  P  P272  1  0.523148  0.385611  0.484739  1
  P  P273  1  0.962637  0.707851  0.429183  1
  P  P274  1  0.523148  0.052278  0.484739  1
  P  P275  1  0.962637  0.374518  0.429183  1
  P  P276  1  0.962637  0.041184  0.429183  1
  P  P277  1  0.046527  0.494268  0.419194  1
  P  P278  1  0.046527  0.160935  0.419194  1
  P  P279  1  0.607038  0.505362  0.474750  1
  P  P280  1  0.046527  0.827602  0.419194  1
  P  P281  1  0.607038  0.172029  0.474750  1
  P  P282  1  0.607038  0.838695  0.474750  1
  P  P283  1  0.364152  0.676677  0.414414  1
  P  P284  1  0.364152  0.343344  0.414414  1
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