# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   45.56552111
_cell_length_b   37.02421460
_cell_length_c   50.62505458
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.37132517
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P768
_cell_volume   81510.4933055
_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  0.425587  0.311995  0.368179  1
  P  P2  1  0.181120  0.362123  0.348562  1
  P  P3  1  0.092253  0.311995  0.368179  1
  P  P4  1  0.847787  0.362123  0.348562  1
  P  P5  1  0.925587  0.811995  0.368179  1
  P  P6  1  0.758920  0.311995  0.368179  1
  P  P7  1  0.681120  0.862123  0.348562  1
  P  P8  1  0.514454  0.362123  0.348562  1
  P  P9  1  0.592253  0.811995  0.368179  1
  P  P10  1  0.347787  0.862123  0.348562  1
  P  P11  1  0.258920  0.811995  0.368179  1
  P  P12  1  1.014454  0.862123  0.348562  1
  P  P13  1  0.370116  0.200767  0.429421  1
  P  P14  1  0.245595  0.175007  0.419557  1
  P  P15  1  0.036783  0.200767  0.429421  1
  P  P16  1  0.912262  0.175007  0.419557  1
  P  P17  1  0.870116  0.700767  0.429421  1
  P  P18  1  0.703450  0.200767  0.429421  1
  P  P19  1  0.745595  0.675007  0.419557  1
  P  P20  1  0.578928  0.175007  0.419557  1
  P  P21  1  0.536783  0.700767  0.429421  1
  P  P22  1  0.412262  0.675007  0.419557  1
  P  P23  1  0.203450  0.700767  0.429421  1
  P  P24  1  0.078928  0.675007  0.419557  1
  P  P25  1  0.366280  0.282380  0.407066  1
  P  P26  1  0.154508  0.353762  0.405771  1
  P  P27  1  1.032947  0.282380  0.407066  1
  P  P28  1  0.821174  0.353762  0.405771  1
  P  P29  1  0.866280  0.782380  0.407066  1
  P  P30  1  0.699613  0.282380  0.407066  1
  P  P31  1  0.654508  0.853762  0.405771  1
  P  P32  1  0.487841  0.353762  0.405771  1
  P  P33  1  0.532947  0.782380  0.407066  1
  P  P34  1  0.321174  0.853762  0.405771  1
  P  P35  1  0.199613  0.782380  0.407066  1
  P  P36  1  0.987841  0.853762  0.405771  1
  P  P37  1  0.526031  0.093529  0.401333  1
  P  P38  1  0.314958  0.203003  0.391199  1
  P  P39  1  0.192698  0.093529  0.401333  1
  P  P40  1  0.981624  0.203003  0.391199  1
  P  P41  1  1.026031  0.593529  0.401333  1
  P  P42  1  0.859365  0.093529  0.401333  1
  P  P43  1  0.814958  0.703003  0.391199  1
  P  P44  1  0.648291  0.203003  0.391199  1
  P  P45  1  0.692698  0.593529  0.401333  1
  P  P46  1  0.481624  0.703003  0.391199  1
  P  P47  1  0.359365  0.593529  0.401333  1
  P  P48  1  0.148291  0.703003  0.391199  1
  P  P49  1  0.458328  0.401247  0.364517  1
  P  P50  1  0.303999  0.360941  0.399172  1
  P  P51  1  0.124995  0.401247  0.364517  1
  P  P52  1  0.970665  0.360941  0.399172  1
  P  P53  1  0.958328  0.901247  0.364517  1
  P  P54  1  0.791661  0.401247  0.364517  1
  P  P55  1  0.803999  0.860941  0.399172  1
  P  P56  1  0.637332  0.360941  0.399172  1
  P  P57  1  0.624995  0.901247  0.364517  1
  P  P58  1  0.470665  0.860941  0.399172  1
  P  P59  1  0.291661  0.901247  0.364517  1
  P  P60  1  0.137332  0.860941  0.399172  1
  P  P61  1  0.379690  0.062987  0.397576  1
  P  P62  1  0.187570  0.175907  0.384597  1
  P  P63  1  0.046357  0.062987  0.397576  1
  P  P64  1  0.854237  0.175907  0.384597  1
  P  P65  1  0.879690  0.562987  0.397576  1
  P  P66  1  0.713023  0.062987  0.397576  1
  P  P67  1  0.687570  0.675907  0.384597  1
  P  P68  1  0.520904  0.175907  0.384597  1
  P  P69  1  0.546357  0.562987  0.397576  1
  P  P70  1  0.354237  0.675907  0.384597  1
  P  P71  1  0.213023  0.562987  0.397576  1
  P  P72  1  1.020904  0.675907  0.384597  1
  P  P73  1  0.432923  0.618018  0.379828  1
  P  P74  1  0.227405  0.716285  0.371682  1
  P  P75  1  0.099590  0.618018  0.379828  1
  P  P76  1  0.894072  0.716285  0.371682  1
  P  P77  1  0.932923  0.118018  0.379828  1
  P  P78  1  0.766257  0.618018  0.379828  1
  P  P79  1  0.727405  0.216285  0.371682  1
  P  P80  1  0.560739  0.716285  0.371682  1
  P  P81  1  0.599590  0.118018  0.379828  1
  P  P82  1  0.394072  0.216285  0.371682  1
  P  P83  1  0.266257  0.118018  0.379828  1
  P  P84  1  0.060739  0.216285  0.371682  1
  P  P85  1  0.423566  0.363757  0.422103  1
  P  P86  1  0.211420  0.427072  0.394999  1
  P  P87  1  0.090232  0.363757  0.422103  1
  P  P88  1  0.878087  0.427072  0.394999  1
  P  P89  1  0.923566  0.863757  0.422103  1
  P  P90  1  0.756899  0.363757  0.422103  1
  P  P91  1  0.711420  0.927072  0.394999  1
  P  P92  1  0.544754  0.427072  0.394999  1
  P  P93  1  0.590232  0.863757  0.422103  1
  P  P94  1  0.378087  0.927072  0.394999  1
  P  P95  1  0.256899  0.863757  0.422103  1
  P  P96  1  0.044754  0.927072  0.394999  1
  P  P97  1  0.471926  0.545465  0.405920  1
  P  P98  1  0.235562  0.631423  0.351646  1
  P  P99  1  0.138593  0.545465  0.405920  1
  P  P100  1  0.902229  0.631423  0.351646  1
  P  P101  1  0.971926  0.045465  0.405920  1
  P  P102  1  0.805259  0.545465  0.405920  1
  P  P103  1  0.735562  0.131423  0.351646  1
  P  P104  1  0.568896  0.631423  0.351646  1
  P  P105  1  0.638593  0.045465  0.405920  1
  P  P106  1  0.402229  0.131423  0.351646  1
  P  P107  1  0.305259  0.045465  0.405920  1
  P  P108  1  0.068896  0.131423  0.351646  1
  P  P109  1  0.423707  0.453432  0.397867  1
  P  P110  1  0.275946  0.421388  0.430242  1
  P  P111  1  0.090374  0.453432  0.397867  1
  P  P112  1  0.942613  0.421388  0.430242  1
  P  P113  1  0.923707  0.953432  0.397867  1
  P  P114  1  0.757040  0.453432  0.397867  1
  P  P115  1  0.775946  0.921388  0.430242  1
  P  P116  1  0.609279  0.421388  0.430242  1
  P  P117  1  0.590374  0.953432  0.397867  1
  P  P118  1  0.442613  0.921388  0.430242  1
  P  P119  1  0.257040  0.953432  0.397867  1
  P  P120  1  0.109279  0.921388  0.430242  1
  P  P121  1  0.294051  0.700902  0.369735  1
  P  P122  1  0.175471  0.630984  0.385831  1
  P  P123  1  0.960718  0.700902  0.369735  1
  P  P124  1  0.842138  0.630984  0.385831  1
  P  P125  1  0.794051  0.200902  0.369735  1
  P  P126  1  0.627385  0.700902  0.369735  1
  P  P127  1  0.675471  0.130984  0.385831  1
  P  P128  1  0.508805  0.630984  0.385831  1
  P  P129  1  0.460718  0.200902  0.369735  1
  P  P130  1  0.342138  0.130984  0.385831  1
  P  P131  1  0.127385  0.200902  0.369735  1
  P  P132  1  1.008805  0.130984  0.385831  1
  P  P133  1  0.476516  0.492475  0.355458  1
  P  P134  1  0.353206  0.438808  0.379847  1
  P  P135  1  0.143183  0.492475  0.355458  1
  P  P136  1  1.019872  0.438808  0.379847  1
  P  P137  1  0.976516  0.992475  0.355458  1
  P  P138  1  0.809849  0.492475  0.355458  1
  P  P139  1  0.853206  0.938808  0.379847  1
  P  P140  1  0.686539  0.438808  0.379847  1
  P  P141  1  0.643183  0.992475  0.355458  1
  P  P142  1  0.519872  0.938808  0.379847  1
  P  P143  1  0.309849  0.992475  0.355458  1
  P  P144  1  0.186539  0.938808  0.379847  1
  P  P145  1  0.412759  0.151268  0.412663  1
  P  P146  1  0.294805  0.134869  0.438914  1
  P  P147  1  0.079426  0.151268  0.412663  1
  P  P148  1  0.961472  0.134869  0.438914  1
  P  P149  1  0.912759  0.651268  0.412663  1
  P  P150  1  0.746092  0.151268  0.412663  1
  P  P151  1  0.794805  0.634869  0.438914  1
  P  P152  1  0.628138  0.134869  0.438914  1
  P  P153  1  0.579426  0.651268  0.412663  1
  P  P154  1  0.461472  0.634869  0.438914  1
  P  P155  1  0.246092  0.651268  0.412663  1
  P  P156  1  0.128138  0.634869  0.438914  1
  P  P157  1  0.407760  0.436769  0.337592  1
  P  P158  1  0.228648  0.348299  0.395899  1
  P  P159  1  0.074426  0.436769  0.337592  1
  P  P160  1  0.895315  0.348299  0.395899  1
  P  P161  1  0.907760  0.936769  0.337592  1
  P  P162  1  0.741093  0.436769  0.337592  1
  P  P163  1  0.728648  0.848299  0.395899  1
  P  P164  1  0.561981  0.348299  0.395899  1
  P  P165  1  0.574426  0.936769  0.337592  1
  P  P166  1  0.395315  0.848299  0.395899  1
  P  P167  1  0.241093  0.936769  0.337592  1
  P  P168  1  0.061981  0.848299  0.395899  1
  P  P169  1  0.377424  0.365914  0.376932  1
  P  P170  1  0.189400  0.447782  0.336976  1
  P  P171  1  0.044091  0.365914  0.376932  1
  P  P172  1  0.856067  0.447782  0.336976  1
  P  P173  1  0.877424  0.865914  0.376932  1
  P  P174  1  0.710757  0.365914  0.376932  1
  P  P175  1  0.689400  0.947782  0.336976  1
  P  P176  1  0.522734  0.447782  0.336976  1
  P  P177  1  0.544091  0.865914  0.376932  1
  P  P178  1  0.356067  0.947782  0.336976  1
  P  P179  1  0.210757  0.865914  0.376932  1
  P  P180  1  1.022734  0.947782  0.336976  1
  P  P181  1  0.422345  0.699052  0.358162  1
  P  P182  1  0.289679  0.609945  0.386113  1
  P  P183  1  0.089012  0.699052  0.358162  1
  P  P184  1  0.956346  0.609945  0.386113  1
  P  P185  1  0.922345  0.199052  0.358162  1
  P  P186  1  0.755678  0.699052  0.358162  1
  P  P187  1  0.789679  0.109945  0.386113  1
  P  P188  1  0.623012  0.609945  0.386113  1
  P  P189  1  0.589012  0.199052  0.358162  1
  P  P190  1  0.456346  0.109945  0.386113  1
  P  P191  1  0.255678  0.199052  0.358162  1
  P  P192  1  0.123012  0.109945  0.386113  1
  P  P193  1  0.475097  0.206879  0.431967  1
  P  P194  1  0.279446  0.267441  0.407253  1
  P  P195  1  0.141764  0.206879  0.431967  1
  P  P196  1  0.946113  0.267441  0.407253  1
  P  P197  1  0.975097  0.706879  0.431967  1
  P  P198  1  0.808430  0.206879  0.431967  1
  P  P199  1  0.779446  0.767441  0.407253  1
  P  P200  1  0.612780  0.267441  0.407253  1
  P  P201  1  0.641764  0.706879  0.431967  1
  P  P202  1  0.446113  0.767441  0.407253  1
  P  P203  1  0.308430  0.706879  0.431967  1
  P  P204  1  0.112780  0.767441  0.407253  1
  P  P205  1  0.486738  0.129212  0.444793  1
  P  P206  1  0.358024  0.083251  0.505415  1
  P  P207  1  0.153404  0.129212  0.444793  1
  P  P208  1  1.024690  0.083251  0.505415  1
  P  P209  1  0.986738  0.629212  0.444793  1
  P  P210  1  0.820071  0.129212  0.444793  1
  P  P211  1  0.858024  0.583251  0.505415  1
  P  P212  1  0.691357  0.083251  0.505415  1
  P  P213  1  0.653404  0.629212  0.444793  1
  P  P214  1  0.524690  0.583251  0.505415  1
  P  P215  1  0.320071  0.629212  0.444793  1
  P  P216  1  0.191357  0.583251  0.505415  1
  P  P217  1  0.415522  0.165165  0.476390  1
  P  P218  1  0.215914  0.234588  0.445242  1
  P  P219  1  0.082189  0.165165  0.476390  1
  P  P220  1  0.882580  0.234588  0.445242  1
  P  P221  1  0.915522  0.665165  0.476390  1
  P  P222  1  0.748856  0.165165  0.476390  1
  P  P223  1  0.715914  0.734588  0.445242  1
  P  P224  1  0.549247  0.234588  0.445242  1
  P  P225  1  0.582189  0.665165  0.476390  1
  P  P226  1  0.382580  0.734588  0.445242  1
  P  P227  1  0.248856  0.665165  0.476390  1
  P  P228  1  0.049247  0.734588  0.445242  1
  P  P229  1  0.590098  0.026632  0.528603  1
  P  P230  1  0.411858  0.080087  0.455101  1
  P  P231  1  0.256764  0.026632  0.528603  1
  P  P232  1  0.078525  0.080087  0.455101  1
  P  P233  1  0.090098  0.526632  0.528603  1
  P  P234  1  0.923431  0.026632  0.528603  1
  P  P235  1  0.911858  0.580087  0.455101  1
  P  P236  1  0.745192  0.080087  0.455101  1
  P  P237  1  0.756764  0.526632  0.528603  1
  P  P238  1  0.578525  0.580087  0.455101  1
  P  P239  1  0.423431  0.526632  0.528603  1
  P  P240  1  0.245192  0.580087  0.455101  1
  P  P241  1  0.510640  0.293303  0.436965  1
  P  P242  1  0.389651  0.274919  0.467898  1
  P  P243  1  0.177306  0.293303  0.436965  1
  P  P244  1  0.056318  0.274919  0.467898  1
  P  P245  1  1.010640  0.793303  0.436965  1
  P  P246  1  0.843973  0.293303  0.436965  1
  P  P247  1  0.889651  0.774919  0.467898  1
  P  P248  1  0.722984  0.274919  0.467898  1
  P  P249  1  0.677306  0.793303  0.436965  1
  P  P250  1  0.556318  0.774919  0.467898  1
  P  P251  1  0.343973  0.793303  0.436965  1
  P  P252  1  0.222984  0.774919  0.467898  1
  P  P253  1  0.456489  0.049056  0.488177  1
  P  P254  1  0.288231  0.048534  0.469962  1
  P  P255  1  0.123156  0.049056  0.488177  1
  P  P256  1  0.954897  0.048534  0.469962  1
  P  P257  1  0.956489  0.549056  0.488177  1
  P  P258  1  0.789822  0.049056  0.488177  1
  P  P259  1  0.788231  0.548534  0.469962  1
  P  P260  1  0.621564  0.048534  0.469962  1
  P  P261  1  0.623156  0.549056  0.488177  1
  P  P262  1  0.454897  0.548534  0.469962  1
  P  P263  1  0.289822  0.549056  0.488177  1
  P  P264  1  0.121564  0.548534  0.469962  1
  P  P265  1  0.510943  0.518249  0.452654  1
  P  P266  1  0.293150  0.542016  0.424368  1
  P  P267  1  0.177610  0.518249  0.452654  1
  P  P268  1  0.959816  0.542016  0.424368  1
  P  P269  1  1.010943  0.018249  0.452654  1
  P  P270  1  0.844277  0.518249  0.452654  1
  P  P271  1  0.793150  0.042016  0.424368  1
  P  P272  1  0.626483  0.542016  0.424368  1
  P  P273  1  0.677610  0.018249  0.452654  1
  P  P274  1  0.459816  0.042016  0.424368  1
  P  P275  1  0.344277  0.018249  0.452654  1
  P  P276  1  0.126483  0.042016  0.424368  1
  P  P277  1  0.531801  0.288531  0.495260  1
  P  P278  1  0.333182  0.326300  0.445208  1
  P  P279  1  0.198468  0.288531  0.495260  1
  P  P280  1  0.999849  0.326300  0.445208  1
  P  P281  1  1.031801  0.788531  0.495260  1
  P  P282  1  0.865134  0.288531  0.495260  1
  P  P283  1  0.833182  0.826300  0.445208  1
  P  P284  1  0.666515  0.326300  0.445208  1
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