# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   50.46452115
_cell_length_b   35.64480073
_cell_length_c   47.03865222
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.43292431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P768
_cell_volume   81893.0419623
_cell_formula_units_Z   768
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  0.766323  0.422250  0.361423  1
  P  P2  1  0.432990  0.422250  0.361423  1
  P  P3  1  0.595051  0.331328  0.410764  1
  P  P4  1  0.099656  0.422250  0.361423  1
  P  P5  1  0.261718  0.331328  0.410764  1
  P  P6  1  0.599656  0.922250  0.361423  1
  P  P7  1  0.761718  0.831328  0.410764  1
  P  P8  1  0.928385  0.331328  0.410764  1
  P  P9  1  0.266323  0.922250  0.361423  1
  P  P10  1  0.428385  0.831328  0.410764  1
  P  P11  1  0.932990  0.922250  0.361423  1
  P  P12  1  0.095051  0.831328  0.410764  1
  P  P13  1  0.692333  0.234455  0.449064  1
  P  P14  1  0.359000  0.234455  0.449064  1
  P  P15  1  0.594153  0.240829  0.395242  1
  P  P16  1  0.025667  0.234455  0.449064  1
  P  P17  1  0.260819  0.240829  0.395242  1
  P  P18  1  0.525667  0.734455  0.449064  1
  P  P19  1  0.760819  0.740829  0.395242  1
  P  P20  1  0.927486  0.240829  0.395242  1
  P  P21  1  0.192333  0.734455  0.449064  1
  P  P22  1  0.427486  0.740829  0.395242  1
  P  P23  1  0.859000  0.734455  0.449064  1
  P  P24  1  0.094153  0.740829  0.395242  1
  P  P25  1  0.749872  0.384525  0.418648  1
  P  P26  1  0.416538  0.384525  0.418648  1
  P  P27  1  0.610860  0.414470  0.386025  1
  P  P28  1  0.083205  0.384525  0.418648  1
  P  P29  1  0.277527  0.414470  0.386025  1
  P  P30  1  0.583205  0.884525  0.418648  1
  P  P31  1  0.777527  0.914470  0.386025  1
  P  P32  1  0.944193  0.414470  0.386025  1
  P  P33  1  0.249872  0.884525  0.418648  1
  P  P34  1  0.444193  0.914470  0.386025  1
  P  P35  1  0.916538  0.884525  0.418648  1
  P  P36  1  0.110860  0.914470  0.386025  1
  P  P37  1  0.761956  0.192383  0.440027  1
  P  P38  1  0.428622  0.192383  0.440027  1
  P  P39  1  0.600793  0.188514  0.453295  1
  P  P40  1  0.095289  0.192383  0.440027  1
  P  P41  1  0.267460  0.188514  0.453295  1
  P  P42  1  0.595289  0.692383  0.440027  1
  P  P43  1  0.767460  0.688514  0.453295  1
  P  P44  1  0.934126  0.188514  0.453295  1
  P  P45  1  0.261956  0.692383  0.440027  1
  P  P46  1  0.434126  0.688514  0.453295  1
  P  P47  1  0.928622  0.692383  0.440027  1
  P  P48  1  0.100793  0.688514  0.453295  1
  P  P49  1  0.876923  0.397409  0.395232  1
  P  P50  1  0.543590  0.397409  0.395232  1
  P  P51  1  0.698746  0.396446  0.465059  1
  P  P52  1  0.210256  0.397409  0.395232  1
  P  P53  1  0.365412  0.396446  0.465059  1
  P  P54  1  0.710256  0.897409  0.395232  1
  P  P55  1  0.865412  0.896446  0.465059  1
  P  P56  1  0.032079  0.396446  0.465059  1
  P  P57  1  0.376923  0.897409  0.395232  1
  P  P58  1  0.532079  0.896446  0.465059  1
  P  P59  1  0.043590  0.897409  0.395232  1
  P  P60  1  0.198746  0.896446  0.465059  1
  P  P61  1  0.872571  0.214482  0.419416  1
  P  P62  1  0.539238  0.214482  0.419416  1
  P  P63  1  0.715980  0.138526  0.438669  1
  P  P64  1  0.205905  0.214482  0.419416  1
  P  P65  1  0.382646  0.138526  0.438669  1
  P  P66  1  0.705905  0.714482  0.419416  1
  P  P67  1  0.882646  0.638526  0.438669  1
  P  P68  1  0.049313  0.138526  0.438669  1
  P  P69  1  0.372571  0.714482  0.419416  1
  P  P70  1  0.549313  0.638526  0.438669  1
  P  P71  1  0.039238  0.714482  0.419416  1
  P  P72  1  0.215980  0.638526  0.438669  1
  P  P73  1  0.771557  0.647657  0.394687  1
  P  P74  1  0.438224  0.647657  0.394687  1
  P  P75  1  0.606665  0.614524  0.401886  1
  P  P76  1  0.104890  0.647657  0.394687  1
  P  P77  1  0.273332  0.614524  0.401886  1
  P  P78  1  0.604890  0.147657  0.394687  1
  P  P79  1  0.773332  0.114524  0.401886  1
  P  P80  1  0.939998  0.614524  0.401886  1
  P  P81  1  0.271557  0.147657  0.394687  1
  P  P82  1  0.439998  0.114524  0.401886  1
  P  P83  1  0.938224  0.147657  0.394687  1
  P  P84  1  0.106665  0.114524  0.401886  1
  P  P85  1  0.768487  0.469210  0.417484  1
  P  P86  1  0.435154  0.469210  0.417484  1
  P  P87  1  0.584638  0.413460  0.447116  1
  P  P88  1  0.101820  0.469210  0.417484  1
  P  P89  1  0.251304  0.413460  0.447116  1
  P  P90  1  0.601820  0.969210  0.417484  1
  P  P91  1  0.751304  0.913460  0.447116  1
  P  P92  1  0.917971  0.413460  0.447116  1
  P  P93  1  0.268487  0.969210  0.417484  1
  P  P94  1  0.417971  0.913461  0.447116  1
  P  P95  1  0.935154  0.969210  0.417484  1
  P  P96  1  0.084638  0.913461  0.447116  1
  P  P97  1  0.865855  0.617459  0.377245  1
  P  P98  1  0.532521  0.617459  0.377245  1
  P  P99  1  0.670360  0.576523  0.379926  1
  P  P100  1  0.199188  0.617459  0.377245  1
  P  P101  1  0.337026  0.576523  0.379926  1
  P  P102  1  0.699188  0.117459  0.377245  1
  P  P103  1  0.837026  0.076523  0.379926  1
  P  P104  1  1.003693  0.576523  0.379926  1
  P  P105  1  0.365855  0.117459  0.377245  1
  P  P106  1  0.503693  0.076523  0.379926  1
  P  P107  1  0.032521  0.117459  0.377245  1
  P  P108  1  0.170360  0.076523  0.379926  1
  P  P109  1  0.834883  0.459273  0.434613  1
  P  P110  1  0.501549  0.459273  0.434613  1
  P  P111  1  0.652756  0.483467  0.377177  1
  P  P112  1  0.168216  0.459273  0.434613  1
  P  P113  1  0.319423  0.483467  0.377177  1
  P  P114  1  0.668216  0.959273  0.434613  1
  P  P115  1  0.819423  0.983467  0.377177  1
  P  P116  1  0.986090  0.483467  0.377177  1
  P  P117  1  0.334883  0.959273  0.434613  1
  P  P118  1  0.486090  0.983467  0.377177  1
  P  P119  1  1.001549  0.959273  0.434613  1
  P  P120  1  0.152756  0.983467  0.377177  1
  P  P121  1  0.829902  0.600947  0.431378  1
  P  P122  1  0.496569  0.600947  0.431378  1
  P  P123  1  0.644441  0.673137  0.387136  1
  P  P124  1  0.163235  0.600947  0.431378  1
  P  P125  1  0.311107  0.673137  0.387136  1
  P  P126  1  0.663235  0.100947  0.431378  1
  P  P127  1  0.811107  0.173137  0.387136  1
  P  P128  1  0.977774  0.673137  0.387136  1
  P  P129  1  0.329902  0.100947  0.431378  1
  P  P130  1  0.477774  0.173137  0.387136  1
  P  P131  1  0.996569  0.100947  0.431378  1
  P  P132  1  0.144441  0.173137  0.387136  1
  P  P133  1  0.820327  0.458099  0.368778  1
  P  P134  1  0.486994  0.458099  0.368778  1
  P  P135  1  0.641491  0.449495  0.437439  1
  P  P136  1  0.153661  0.458099  0.368778  1
  P  P137  1  0.308158  0.449495  0.437439  1
  P  P138  1  0.653661  0.958099  0.368778  1
  P  P139  1  0.808158  0.949495  0.437439  1
  P  P140  1  0.974824  0.449495  0.437439  1
  P  P141  1  0.320327  0.958099  0.368778  1
  P  P142  1  0.474824  0.949495  0.437439  1
  P  P143  1  0.986994  0.958099  0.368778  1
  P  P144  1  0.141491  0.949495  0.437439  1
  P  P145  1  0.828304  0.128889  0.442673  1
  P  P146  1  0.494971  0.128889  0.442673  1
  P  P147  1  0.656515  0.188535  0.409822  1
  P  P148  1  0.161637  0.128889  0.442673  1
  P  P149  1  0.323182  0.188535  0.409822  1
  P  P150  1  0.661637  0.628889  0.442673  1
  P  P151  1  0.823182  0.688535  0.409822  1
  P  P152  1  0.989848  0.188535  0.409822  1
  P  P153  1  0.328304  0.628889  0.442673  1
  P  P154  1  0.489848  0.688535  0.409822  1
  P  P155  1  0.994971  0.628889  0.442673  1
  P  P156  1  0.156515  0.688535  0.409822  1
  P  P157  1  0.815581  0.384363  0.405637  1
  P  P158  1  0.482247  0.384363  0.405637  1
  P  P159  1  0.685849  0.394173  0.394531  1
  P  P160  1  0.148914  0.384363  0.405637  1
  P  P161  1  0.352516  0.394173  0.394531  1
  P  P162  1  0.648914  0.884363  0.405637  1
  P  P163  1  0.852516  0.894173  0.394531  1
  P  P164  1  0.019183  0.394173  0.394531  1
  P  P165  1  0.315581  0.884363  0.405637  1
  P  P166  1  0.519183  0.894173  0.394531  1
  P  P167  1  0.982247  0.884363  0.405637  1
  P  P168  1  0.185849  0.894173  0.394531  1
  P  P169  1  0.704032  0.467119  0.421066  1
  P  P170  1  0.370699  0.467119  0.421066  1
  P  P171  1  0.549916  0.470777  0.366770  1
  P  P172  1  0.037365  0.467119  0.421066  1
  P  P173  1  0.216583  0.470777  0.366770  1
  P  P174  1  0.537365  0.967119  0.421066  1
  P  P175  1  0.716583  0.970777  0.366770  1
  P  P176  1  0.883250  0.470777  0.366770  1
  P  P177  1  0.204032  0.967119  0.421066  1
  P  P178  1  0.383250  0.970777  0.366770  1
  P  P179  1  0.870699  0.967119  0.421066  1
  P  P180  1  0.049916  0.970777  0.366770  1
  P  P181  1  0.711670  0.626884  0.394892  1
  P  P182  1  0.378336  0.626884  0.394892  1
  P  P183  1  0.553988  0.693763  0.387795  1
  P  P184  1  0.045003  0.626884  0.394892  1
  P  P185  1  0.220654  0.693763  0.387795  1
  P  P186  1  0.545003  0.126884  0.394892  1
  P  P187  1  0.720654  0.193763  0.387795  1
  P  P188  1  0.887321  0.693763  0.387795  1
  P  P189  1  0.211670  0.126884  0.394892  1
  P  P190  1  0.387321  0.193763  0.387795  1
  P  P191  1  0.878336  0.126884  0.394892  1
  P  P192  1  0.053988  0.193763  0.387795  1
  P  P193  1  0.714912  0.312542  0.432078  1
  P  P194  1  0.381579  0.312542  0.432078  1
  P  P195  1  0.588240  0.160939  0.516512  1
  P  P196  1  0.048246  0.312542  0.432078  1
  P  P197  1  0.254906  0.160939  0.516512  1
  P  P198  1  0.548246  0.812542  0.432078  1
  P  P199  1  0.754906  0.660939  0.516512  1
  P  P200  1  0.921573  0.160939  0.516512  1
  P  P201  1  0.214912  0.812542  0.432078  1
  P  P202  1  0.421573  0.660939  0.516512  1
  P  P203  1  0.881579  0.812542  0.432078  1
  P  P204  1  0.088240  0.660939  0.516512  1
  P  P205  1  0.725664  0.171150  0.500599  1
  P  P206  1  0.392331  0.171150  0.500599  1
  P  P207  1  0.555864  0.138404  0.460095  1
  P  P208  1  0.058998  0.171150  0.500599  1
  P  P209  1  0.222530  0.138404  0.460095  1
  P  P210  1  0.558998  0.671150  0.500599  1
  P  P211  1  0.722530  0.638404  0.460095  1
  P  P212  1  0.889197  0.138404  0.460095  1
  P  P213  1  0.225664  0.671150  0.500599  1
  P  P214  1  0.389197  0.638404  0.460095  1
  P  P215  1  0.892331  0.671150  0.500599  1
  P  P216  1  0.055864  0.638404  0.460095  1
  P  P217  1  0.736613  0.255599  0.489024  1
  P  P218  1  0.403279  0.255599  0.489024  1
  P  P219  1  0.565465  0.279565  0.452940  1
  P  P220  1  0.069946  0.255599  0.489024  1
  P  P221  1  0.232132  0.279565  0.452940  1
  P  P222  1  0.569946  0.755599  0.489024  1
  P  P223  1  0.732132  0.779565  0.452940  1
  P  P224  1  0.898798  0.279565  0.452940  1
  P  P225  1  0.236613  0.755599  0.489024  1
  P  P226  1  0.398798  0.779565  0.452940  1
  P  P227  1  0.903279  0.755599  0.489024  1
  P  P228  1  0.065465  0.779565  0.452940  1
  P  P229  1  0.776029  0.109415  0.472992  1
  P  P230  1  0.442695  0.109415  0.472992  1
  P  P231  1  0.571475  0.070925  0.504037  1
  P  P232  1  0.109362  0.109415  0.472992  1
  P  P233  1  0.238142  0.070925  0.504037  1
  P  P234  1  0.609362  0.609415  0.472992  1
  P  P235  1  0.738142  0.570925  0.504037  1
  P  P236  1  0.904809  0.070925  0.504037  1
  P  P237  1  0.276029  0.609415  0.472992  1
  P  P238  1  0.404809  0.570925  0.504037  1
  P  P239  1  0.942695  0.609415  0.472992  1
  P  P240  1  0.071475  0.570925  0.504037  1
  P  P241  1  0.831593  0.305111  0.443840  1
  P  P242  1  0.498260  0.305111  0.443840  1
  P  P243  1  0.625966  0.328113  0.540180  1
  P  P244  1  0.164927  0.305111  0.443840  1
  P  P245  1  0.292633  0.328113  0.540180  1
  P  P246  1  0.664927  0.805111  0.443840  1
  P  P247  1  0.792633  0.828113  0.540180  1
  P  P248  1  0.959300  0.328113  0.540180  1
  P  P249  1  0.331593  0.805111  0.443840  1
  P  P250  1  0.459300  0.828113  0.540180  1
  P  P251  1  0.998260  0.805111  0.443840  1
  P  P252  1  0.125966  0.828113  0.540180  1
  P  P253  1  0.881637  0.050466  0.440172  1
  P  P254  1  0.548303  0.050466  0.440172  1
  P  P255  1  0.657926  0.112196  0.526068  1
  P  P256  1  0.214970  0.050466  0.440172  1
  P  P257  1  0.324592  0.112196  0.526068  1
  P  P258  1  0.714970  0.550466  0.440172  1
  P  P259  1  0.824592  0.612196  0.526068  1
  P  P260  1  0.991259  0.112196  0.526068  1
  P  P261  1  0.381637  0.550466  0.440172  1
  P  P262  1  0.491259  0.612196  0.526068  1
  P  P263  1  0.048303  0.550466  0.440172  1
  P  P264  1  0.157926  0.612196  0.526068  1
  P  P265  1  0.771085  0.565162  0.419422  1
  P  P266  1  0.437752  0.565162  0.419422  1
  P  P267  1  0.552643  0.582838  0.492756  1
  P  P268  1  0.104419  0.565162  0.419422  1
  P  P269  1  0.219310  0.582838  0.492756  1
  P  P270  1  0.604419  0.065162  0.419422  1
  P  P271  1  0.719310  0.082838  0.492756  1
  P  P272  1  0.885977  0.582838  0.492756  1
  P  P273  1  0.271085  0.065162  0.419422  1
  P  P274  1  0.385977  0.082838  0.492756  1
  P  P275  1  0.937752  0.065162  0.419422  1
  P  P276  1  0.052643  0.082838  0.492756  1
  P  P277  1  0.762510  0.329635  0.472726  1
  P  P278  1  0.429176  0.329635  0.472726  1
  P  P279  1  0.552040  0.313956  0.517256  1
  P  P280  1  0.095843  0.329635  0.472726  1
  P  P281  1  0.218707  0.313956  0.517256  1
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