# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   37.60724152
_cell_length_b   99.19815896
_cell_length_c   49.92506258
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.05797547
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P864
_cell_volume   186128.76672
_cell_formula_units_Z   864
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  0.536982  0.141387  0.354752  1
  P  P2  1  0.594067  0.313009  0.426181  1
  P  P3  1  0.536982  0.474720  0.354752  1
  P  P4  1  0.594067  0.646342  0.426181  1
  P  P5  1  0.536982  0.808054  0.354752  1
  P  P6  1  0.094067  0.146342  0.426181  1
  P  P7  1  0.036982  0.308054  0.354752  1
  P  P8  1  0.594067  0.979676  0.426181  1
  P  P9  1  0.094067  0.479676  0.426181  1
  P  P10  1  0.036982  0.641387  0.354752  1
  P  P11  1  0.094067  0.813009  0.426181  1
  P  P12  1  0.036982  0.974720  0.354752  1
  P  P13  1  0.540191  0.080577  0.360969  1
  P  P14  1  0.483214  0.241949  0.290089  1
  P  P15  1  0.540191  0.413910  0.360969  1
  P  P16  1  0.483214  0.575283  0.290089  1
  P  P17  1  0.540191  0.747244  0.360969  1
  P  P18  1  0.983214  0.075283  0.290089  1
  P  P19  1  0.040191  0.247244  0.360969  1
  P  P20  1  0.483214  0.908616  0.290089  1
  P  P21  1  0.983214  0.408616  0.290089  1
  P  P22  1  0.040191  0.580577  0.360969  1
  P  P23  1  0.983214  0.741949  0.290089  1
  P  P24  1  0.040191  0.913910  0.360969  1
  P  P25  1  0.486889  0.160744  0.323983  1
  P  P26  1  0.543974  0.332366  0.395412  1
  P  P27  1  0.486889  0.494077  0.323983  1
  P  P28  1  0.543974  0.665699  0.395412  1
  P  P29  1  0.486889  0.827411  0.323983  1
  P  P30  1  0.043974  0.165699  0.395412  1
  P  P31  1  0.986889  0.327411  0.323983  1
  P  P32  1  0.543974  0.999033  0.395412  1
  P  P33  1  0.043974  0.499033  0.395412  1
  P  P34  1  0.986889  0.660744  0.323983  1
  P  P35  1  0.043974  0.832366  0.395412  1
  P  P36  1  0.986889  0.994077  0.323983  1
  P  P37  1  0.590283  0.061220  0.391738  1
  P  P38  1  0.532173  0.223071  0.320198  1
  P  P39  1  0.590283  0.394553  0.391738  1
  P  P40  1  0.532173  0.556404  0.320198  1
  P  P41  1  0.590283  0.727887  0.391738  1
  P  P42  1  0.032173  0.056404  0.320198  1
  P  P43  1  0.090283  0.227887  0.391738  1
  P  P44  1  0.532173  0.889738  0.320198  1
  P  P45  1  0.032173  0.389738  0.320198  1
  P  P46  1  0.090283  0.561220  0.391738  1
  P  P47  1  0.032173  0.723071  0.320198  1
  P  P48  1  0.090283  0.894553  0.391738  1
  P  P49  1  0.567020  0.159038  0.307118  1
  P  P50  1  0.624105  0.330660  0.378547  1
  P  P51  1  0.567020  0.492371  0.307118  1
  P  P52  1  0.624105  0.663993  0.378547  1
  P  P53  1  0.567020  0.825704  0.307118  1
  P  P54  1  0.124105  0.163993  0.378547  1
  P  P55  1  0.067020  0.325704  0.307118  1
  P  P56  1  0.624105  0.997327  0.378547  1
  P  P57  1  0.124105  0.497327  0.378547  1
  P  P58  1  0.067020  0.659038  0.307118  1
  P  P59  1  0.124105  0.830660  0.378547  1
  P  P60  1  0.067020  0.992371  0.307118  1
  P  P61  1  0.510152  0.062926  0.408604  1
  P  P62  1  0.453912  0.224755  0.336703  1
  P  P63  1  0.510152  0.396259  0.408604  1
  P  P64  1  0.453912  0.558088  0.336703  1
  P  P65  1  0.510152  0.729593  0.408604  1
  P  P66  1  0.953912  0.058088  0.336703  1
  P  P67  1  0.010152  0.229593  0.408604  1
  P  P68  1  0.453912  0.891421  0.336703  1
  P  P69  1  0.953912  0.391421  0.336703  1
  P  P70  1  0.010152  0.562926  0.408604  1
  P  P71  1  0.953912  0.724755  0.336703  1
  P  P72  1  0.010152  0.896259  0.408604  1
  P  P73  1  0.547078  0.172756  0.361487  1
  P  P74  1  0.489921  0.334386  0.290023  1
  P  P75  1  0.547078  0.506089  0.361487  1
  P  P76  1  0.489921  0.667719  0.290023  1
  P  P77  1  0.547078  0.839423  0.361487  1
  P  P78  1  0.989921  0.167719  0.290023  1
  P  P79  1  0.047078  0.339423  0.361487  1
  P  P80  1  0.489921  1.001052  0.290023  1
  P  P81  1  0.989921  0.501052  0.290023  1
  P  P82  1  0.047078  0.672756  0.361487  1
  P  P83  1  0.989921  0.834386  0.290023  1
  P  P84  1  0.047078  0.006089  0.361487  1
  P  P85  1  0.530095  0.049208  0.354235  1
  P  P86  1  0.587180  0.220830  0.425663  1
  P  P87  1  0.530095  0.382541  0.354235  1
  P  P88  1  0.587180  0.554163  0.425663  1
  P  P89  1  0.530095  0.715874  0.354235  1
  P  P90  1  0.087180  0.054163  0.425663  1
  P  P91  1  0.030095  0.215874  0.354235  1
  P  P92  1  0.587180  0.887497  0.425663  1
  P  P93  1  0.087180  0.387497  0.425663  1
  P  P94  1  0.030095  0.549208  0.354235  1
  P  P95  1  0.087180  0.720830  0.425663  1
  P  P96  1  0.030095  0.882541  0.354235  1
  P  P97  1  0.744947  0.122384  0.384216  1
  P  P98  1  0.685070  0.284008  0.313291  1
  P  P99  1  0.744947  0.455717  0.384216  1
  P  P100  1  0.685070  0.617342  0.313291  1
  P  P101  1  0.744947  0.789050  0.384216  1
  P  P102  1  0.185070  0.117342  0.313291  1
  P  P103  1  0.244947  0.289050  0.384216  1
  P  P104  1  0.685070  0.950675  0.313291  1
  P  P105  1  0.185070  0.450675  0.313291  1
  P  P106  1  0.244947  0.622384  0.384216  1
  P  P107  1  0.185070  0.784008  0.313291  1
  P  P108  1  0.244947  0.955717  0.384216  1
  P  P109  1  0.332226  0.099580  0.331505  1
  P  P110  1  0.389311  0.271202  0.402934  1
  P  P111  1  0.332226  0.432913  0.331505  1
  P  P112  1  0.389311  0.604536  0.402934  1
  P  P113  1  0.332226  0.766247  0.331505  1
  P  P114  1  0.889311  0.104536  0.402934  1
  P  P115  1  0.832226  0.266247  0.331505  1
  P  P116  1  0.389311  0.937869  0.402934  1
  P  P117  1  0.889311  0.437869  0.402934  1
  P  P118  1  0.832226  0.599580  0.331505  1
  P  P119  1  0.889311  0.771202  0.402934  1
  P  P120  1  0.832226  0.932913  0.331505  1
  P  P121  1  0.664502  0.119673  0.400844  1
  P  P122  1  0.610118  0.281483  0.328851  1
  P  P123  1  0.664502  0.453007  0.400844  1
  P  P124  1  0.610118  0.614816  0.328851  1
  P  P125  1  0.664502  0.786340  0.400844  1
  P  P126  1  0.110118  0.114816  0.328851  1
  P  P127  1  0.164502  0.286340  0.400844  1
  P  P128  1  0.610118  0.948150  0.328851  1
  P  P129  1  0.110118  0.448150  0.328851  1
  P  P130  1  0.164502  0.619673  0.400844  1
  P  P131  1  0.110118  0.781483  0.328851  1
  P  P132  1  0.164502  0.953007  0.400844  1
  P  P133  1  0.412671  0.102290  0.314878  1
  P  P134  1  0.469756  0.273913  0.386306  1
  P  P135  1  0.412671  0.435624  0.314878  1
  P  P136  1  0.469756  0.607246  0.386306  1
  P  P137  1  0.412671  0.768957  0.314878  1
  P  P138  1  0.969756  0.107246  0.386306  1
  P  P139  1  0.912671  0.268957  0.314878  1
  P  P140  1  0.469756  0.940579  0.386306  1
  P  P141  1  0.969756  0.440579  0.386306  1
  P  P142  1  0.912671  0.602290  0.314878  1
  P  P143  1  0.969756  0.773913  0.386306  1
  P  P144  1  0.912671  0.935624  0.314878  1
  P  P145  1  0.687974  0.138844  0.353528  1
  P  P146  1  0.745059  0.310466  0.424956  1
  P  P147  1  0.687974  0.472178  0.353528  1
  P  P148  1  0.745059  0.643800  0.424956  1
  P  P149  1  0.687974  0.805511  0.353528  1
  P  P150  1  0.245059  0.143800  0.424956  1
  P  P151  1  0.187974  0.305511  0.353528  1
  P  P152  1  0.745059  0.977133  0.424956  1
  P  P153  1  0.245059  0.477133  0.424956  1
  P  P154  1  0.187974  0.638844  0.353528  1
  P  P155  1  0.245059  0.810466  0.424956  1
  P  P156  1  0.187974  0.972178  0.353528  1
  P  P157  1  0.389198  0.083120  0.362194  1
  P  P158  1  0.332007  0.245905  0.290964  1
  P  P159  1  0.389198  0.416453  0.362194  1
  P  P160  1  0.332007  0.579239  0.290964  1
  P  P161  1  0.389198  0.749786  0.362194  1
  P  P162  1  0.832007  0.079239  0.290964  1
  P  P163  1  0.889198  0.249786  0.362194  1
  P  P164  1  0.332007  0.912572  0.290964  1
  P  P165  1  0.832007  0.412572  0.290964  1
  P  P166  1  0.889198  0.583120  0.362194  1
  P  P167  1  0.832007  0.745905  0.290964  1
  P  P168  1  0.889198  0.916453  0.362194  1
  P  P169  1  0.689761  0.107434  0.346370  1
  P  P170  1  0.746846  0.279057  0.417799  1
  P  P171  1  0.689761  0.440768  0.346370  1
  P  P172  1  0.746846  0.612390  0.417799  1
  P  P173  1  0.689761  0.774101  0.346370  1
  P  P174  1  0.246846  0.112390  0.417799  1
  P  P175  1  0.189761  0.274101  0.346370  1
  P  P176  1  0.746846  0.945723  0.417799  1
  P  P177  1  0.246846  0.445723  0.417799  1
  P  P178  1  0.189761  0.607434  0.346370  1
  P  P179  1  0.246846  0.779057  0.417799  1
  P  P180  1  0.189761  0.940768  0.346370  1
  P  P181  1  0.387412  0.114529  0.369351  1
  P  P182  1  0.330342  0.275178  0.297663  1
  P  P183  1  0.387412  0.447863  0.369351  1
  P  P184  1  0.330342  0.608511  0.297663  1
  P  P185  1  0.387412  0.781196  0.369351  1
  P  P186  1  0.830342  0.108511  0.297663  1
  P  P187  1  0.887412  0.281196  0.369351  1
  P  P188  1  0.330342  0.941845  0.297663  1
  P  P189  1  0.830342  0.441845  0.297663  1
  P  P190  1  0.887412  0.614529  0.369351  1
  P  P191  1  0.830342  0.775178  0.297663  1
  P  P192  1  0.887412  0.947863  0.369351  1
  P  P193  1  0.327871  0.183771  0.292475  1
  P  P194  1  0.385501  0.355764  0.363674  1
  P  P195  1  0.327871  0.517104  0.292475  1
  P  P196  1  0.385501  0.689097  0.363674  1
  P  P197  1  0.327871  0.850438  0.292475  1
  P  P198  1  0.885501  0.189097  0.363674  1
  P  P199  1  0.827871  0.350438  0.292475  1
  P  P200  1  0.385501  0.022430  0.363674  1
  P  P201  1  0.885501  0.522430  0.363674  1
  P  P202  1  0.827871  0.683771  0.292475  1
  P  P203  1  0.885501  0.855764  0.363674  1
  P  P204  1  0.827871  0.017104  0.292475  1
  P  P205  1  0.748757  0.037822  0.423476  1
  P  P206  1  0.691672  0.199534  0.352048  1
  P  P207  1  0.748757  0.371156  0.423476  1
  P  P208  1  0.691672  0.532867  0.352048  1
  P  P209  1  0.748757  0.704489  0.423476  1
  P  P210  1  0.191672  0.032867  0.352048  1
  P  P211  1  0.248757  0.204489  0.423476  1
  P  P212  1  0.691672  0.866200  0.352048  1
  P  P213  1  0.191672  0.366200  0.352048  1
  P  P214  1  0.248757  0.537822  0.423476  1
  P  P215  1  0.191672  0.699534  0.352048  1
  P  P216  1  0.248757  0.871156  0.423476  1
  P  P217  1  0.388296  0.175422  0.403165  1
  P  P218  1  0.331211  0.337133  0.331736  1
  P  P219  1  0.388296  0.508755  0.403165  1
  P  P220  1  0.331211  0.670467  0.331736  1
  P  P221  1  0.388296  0.842089  0.403165  1
  P  P222  1  0.831211  0.170467  0.331736  1
  P  P223  1  0.888296  0.342089  0.403165  1
  P  P224  1  0.331211  0.003800  0.331736  1
  P  P225  1  0.831211  0.503800  0.331736  1
  P  P226  1  0.888296  0.675422  0.403165  1
  P  P227  1  0.831211  0.837133  0.331736  1
  P  P228  1  0.888296  0.008755  0.403165  1
  P  P229  1  0.688730  0.046529  0.312510  1
  P  P230  1  0.745962  0.218164  0.383986  1
  P  P231  1  0.688730  0.379863  0.312510  1
  P  P232  1  0.745962  0.551497  0.383986  1
  P  P233  1  0.688730  0.713196  0.312510  1
  P  P234  1  0.245962  0.051497  0.383986  1
  P  P235  1  0.188730  0.213196  0.312510  1
  P  P236  1  0.745962  0.884831  0.383986  1
  P  P237  1  0.245962  0.384831  0.383986  1
  P  P238  1  0.188730  0.546529  0.312510  1
  P  P239  1  0.245962  0.718164  0.383986  1
  P  P240  1  0.188730  0.879863  0.312510  1
  P  P241  1  0.267543  0.168502  0.322249  1
  P  P242  1  0.323667  0.340126  0.394057  1
  P  P243  1  0.267543  0.501836  0.322249  1
  P  P244  1  0.323667  0.673460  0.394057  1
  P  P245  1  0.267543  0.835169  0.322249  1
  P  P246  1  0.823667  0.173460  0.394057  1
  P  P247  1  0.767543  0.335169  0.322249  1
  P  P248  1  0.323667  0.006793  0.394057  1
  P  P249  1  0.823667  0.506793  0.394057  1
  P  P250  1  0.767543  0.668502  0.322249  1
  P  P251  1  0.823667  0.840126  0.394057  1
  P  P252  1  0.767543  1.001836  0.322249  1
  P  P253  1  0.810591  0.053460  0.393093  1
  P  P254  1  0.753505  0.215171  0.321664  1
  P  P255  1  0.810591  0.386793  0.393093  1
  P  P256  1  0.753505  0.548504  0.321664  1
  P  P257  1  0.810591  0.720126  0.393093  1
  P  P258  1  0.253505  0.048504  0.321664  1
  P  P259  1  0.310591  0.220126  0.393093  1
  P  P260  1  0.753505  0.881837  0.321664  1
  P  P261  1  0.253505  0.381837  0.321664  1
  P  P262  1  0.310591  0.553460  0.393093  1
  P  P263  1  0.253505  0.715171  0.321664  1
  P  P264  1  0.310591  0.886793  0.393093  1
  P  P265  1  0.329357  0.153038  0.298626  1
  P  P266  1  0.387006  0.324300  0.369952  1
  P  P267  1  0.329357  0.486371  0.298626  1
  P  P268  1  0.387006  0.657634  0.369952  1
  P  P269  1  0.329357  0.819704  0.298626  1
  P  P270  1  0.887006  0.157634  0.369952  1
  P  P271  1  0.829357  0.319704  0.298626  1
  P  P272  1  0.387006  0.990967  0.369952  1
  P  P273  1  0.887006  0.490967  0.369952  1
  P  P274  1  0.829357  0.653038  0.298626  1
  P  P275  1  0.887006  0.824300  0.369952  1
  P  P276  1  0.829357  0.986371  0.298626  1
  P  P277  1  0.747252  0.069286  0.417198  1
  P  P278  1  0.690167  0.230997  0.345770  1
  P  P279  1  0.747252  0.402619  0.417198  1
  P  P280  1  0.690167  0.564330  0.345770  1
  P  P281  1  0.747252  0.735952  0.417198  1
  P  P282  1  0.190167  0.064330  0.345770  1
  P  P283  1  0.247252  0.235952  0.417198  1
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