# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   38.82262053
_cell_length_b   47.71631187
_cell_length_c   51.98438060
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.86298216
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P1008
_cell_volume   89985.7157122
_cell_formula_units_Z   1008
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  0.184994  0.200616  0.377993  1
  P  P2  1  0.851661  0.200616  0.377993  1
  P  P3  1  0.518328  0.200616  0.377993  1
  P  P4  1  0.367566  0.145757  0.284173  1
  P  P5  1  0.034232  0.145757  0.284173  1
  P  P6  1  0.700899  0.145757  0.284173  1
  P  P7  1  0.365319  0.819835  0.382141  1
  P  P8  1  0.031986  0.819835  0.382141  1
  P  P9  1  0.698653  0.819835  0.382141  1
  P  P10  1  0.272986  0.609895  0.301925  1
  P  P11  1  0.939653  0.609895  0.301925  1
  P  P12  1  0.606319  0.609895  0.301925  1
  P  P13  1  0.438881  0.610213  0.301456  1
  P  P14  1  0.105548  0.610213  0.301456  1
  P  P15  1  0.772215  0.610213  0.301456  1
  P  P16  1  0.149673  0.176561  0.320606  1
  P  P17  1  0.816339  0.176561  0.320606  1
  P  P18  1  0.483006  0.176561  0.320606  1
  P  P19  1  0.280504  0.538082  0.300373  1
  P  P20  1  0.947170  0.538082  0.300373  1
  P  P21  1  0.613837  0.538082  0.300373  1
  P  P22  1  0.198135  0.819501  0.380552  1
  P  P23  1  0.864801  0.819501  0.380552  1
  P  P24  1  0.531468  0.819501  0.380552  1
  P  P25  1  0.247057  0.563253  0.349023  1
  P  P26  1  0.913724  0.563253  0.349023  1
  P  P27  1  0.580390  0.563253  0.349023  1
  P  P28  1  0.330730  0.563918  0.349920  1
  P  P29  1  0.997397  0.563918  0.349920  1
  P  P30  1  0.664063  0.563918  0.349920  1
  P  P31  1  0.153226  0.628226  0.355998  1
  P  P32  1  0.819893  0.628226  0.355998  1
  P  P33  1  0.486559  0.628226  0.355998  1
  P  P34  1  0.168328  0.051340  0.327074  1
  P  P35  1  0.834995  0.051340  0.327074  1
  P  P36  1  0.501662  0.051340  0.327074  1
  P  P37  1  0.346288  0.273185  0.294013  1
  P  P38  1  0.012955  0.273185  0.294013  1
  P  P39  1  0.679621  0.273185  0.294013  1
  P  P40  1  0.115706  0.012810  0.284664  1
  P  P41  1  0.782373  0.012810  0.284664  1
  P  P42  1  0.449039  0.012810  0.284664  1
  P  P43  1  0.177478  0.265161  0.292690  1
  P  P44  1  0.844145  0.265161  0.292690  1
  P  P45  1  0.510811  0.265161  0.292690  1
  P  P46  1  0.230694  0.493952  0.348182  1
  P  P47  1  0.897361  0.493952  0.348182  1
  P  P48  1  0.564028  0.493952  0.348182  1
  P  P49  1  0.319641  0.627027  0.356725  1
  P  P50  1  0.986308  0.627027  0.356725  1
  P  P51  1  0.652975  0.627027  0.356725  1
  P  P52  1  0.163332  0.740163  0.317795  1
  P  P53  1  0.829998  0.740163  0.317795  1
  P  P54  1  0.496665  0.740163  0.317795  1
  P  P55  1  0.066124  0.171969  0.340408  1
  P  P56  1  0.732790  0.171969  0.340408  1
  P  P57  1  0.399457  0.171969  0.340408  1
  P  P58  1  0.413064  0.111099  0.314734  1
  P  P59  1  0.079731  0.111099  0.314734  1
  P  P60  1  0.746398  0.111099  0.314734  1
  P  P61  1  0.308142  0.235195  0.345283  1
  P  P62  1  0.974808  0.235195  0.345283  1
  P  P63  1  0.641475  0.235195  0.345283  1
  P  P64  1  0.352272  0.200502  0.378746  1
  P  P65  1  0.018938  0.200502  0.378746  1
  P  P66  1  0.685605  0.200502  0.378746  1
  P  P67  1  0.295427  0.756479  0.371442  1
  P  P68  1  0.962094  0.756479  0.371442  1
  P  P69  1  0.628760  0.756479  0.371442  1
  P  P70  1  0.366430  0.542312  0.299045  1
  P  P71  1  0.033096  0.542312  0.299045  1
  P  P72  1  0.699763  0.542312  0.299045  1
  P  P73  1  0.281342  0.819145  0.380053  1
  P  P74  1  0.948009  0.819145  0.380053  1
  P  P75  1  0.614676  0.819145  0.380053  1
  P  P76  1  0.378560  0.756279  0.371466  1
  P  P77  1  0.045227  0.756279  0.371466  1
  P  P78  1  0.711893  0.756279  0.371466  1
  P  P79  1  0.126080  0.008366  0.369871  1
  P  P80  1  0.792747  0.008366  0.369871  1
  P  P81  1  0.459413  0.008366  0.369871  1
  P  P82  1  0.114733  0.819748  0.380820  1
  P  P83  1  0.781400  0.819748  0.380820  1
  P  P84  1  0.448066  0.819748  0.380820  1
  P  P85  1  0.293883  0.088037  0.279461  1
  P  P86  1  0.960549  0.088037  0.279461  1
  P  P87  1  0.627216  0.088037  0.279461  1
  P  P88  1  0.252886  0.049406  0.329782  1
  P  P89  1  0.919553  0.049406  0.329782  1
  P  P90  1  0.586220  0.049406  0.329782  1
  P  P91  1  0.189359  0.611846  0.301055  1
  P  P92  1  0.856026  0.611846  0.301055  1
  P  P93  1  0.522693  0.611846  0.301055  1
  P  P94  1  0.426291  0.674934  0.309642  1
  P  P95  1  0.092958  0.674934  0.309642  1
  P  P96  1  0.759625  0.674934  0.309642  1
  P  P97  1  0.296894  0.016128  0.365121  1
  P  P98  1  0.963560  0.016128  0.365121  1
  P  P99  1  0.630227  0.016128  0.365121  1
  P  P100  1  0.435622  0.208490  0.288039  1
  P  P101  1  0.102288  0.208490  0.288039  1
  P  P102  1  0.768955  0.208490  0.288039  1
  P  P103  1  0.201538  0.547426  0.295592  1
  P  P104  1  0.868204  0.547426  0.295592  1
  P  P105  1  0.534871  0.547426  0.295592  1
  P  P106  1  0.164897  0.565323  0.348410  1
  P  P107  1  0.831564  0.565323  0.348410  1
  P  P108  1  0.498230  0.565323  0.348410  1
  P  P109  1  0.329918  0.739226  0.317613  1
  P  P110  1  0.996585  0.739226  0.317613  1
  P  P111  1  0.663251  0.739226  0.317613  1
  P  P112  1  0.069561  0.627531  0.356626  1
  P  P113  1  0.736228  0.627531  0.356626  1
  P  P114  1  0.402895  0.627531  0.356626  1
  P  P115  1  0.148455  0.086437  0.280958  1
  P  P116  1  0.815122  0.086437  0.280958  1
  P  P117  1  0.481789  0.086437  0.280958  1
  P  P118  1  0.389659  0.236677  0.325738  1
  P  P119  1  0.056326  0.236677  0.325738  1
  P  P120  1  0.722992  0.236677  0.325738  1
  P  P121  1  0.260182  0.675856  0.309095  1
  P  P122  1  0.926849  0.675856  0.309095  1
  P  P123  1  0.593515  0.675856  0.309095  1
  P  P124  1  0.235763  0.173953  0.341194  1
  P  P125  1  0.902430  0.173953  0.341194  1
  P  P126  1  0.569097  0.173953  0.341194  1
  P  P127  1  0.231957  0.802958  0.327779  1
  P  P128  1  0.898623  0.802958  0.327779  1
  P  P129  1  0.565290  0.802958  0.327779  1
  P  P130  1  0.412807  0.738891  0.317799  1
  P  P131  1  0.079474  0.738891  0.317799  1
  P  P132  1  0.746141  0.738891  0.317799  1
  P  P133  1  0.240954  0.111970  0.315441  1
  P  P134  1  0.907621  0.111970  0.315441  1
  P  P135  1  0.574287  0.111970  0.315441  1
  P  P136  1  0.206542  0.047851  0.275620  1
  P  P137  1  0.873208  0.047851  0.275620  1
  P  P138  1  0.539875  0.047851  0.275620  1
  P  P139  1  0.317600  0.173513  0.320157  1
  P  P140  1  0.984267  0.173513  0.320157  1
  P  P141  1  0.650934  0.173513  0.320157  1
  P  P142  1  0.308011  0.691544  0.363876  1
  P  P143  1  0.974678  0.691544  0.363876  1
  P  P144  1  0.641345  0.691544  0.363876  1
  P  P145  1  0.175226  0.990140  0.319843  1
  P  P146  1  0.841893  0.990140  0.319843  1
  P  P147  1  0.508560  0.990140  0.319843  1
  P  P148  1  0.111426  0.138310  0.374261  1
  P  P149  1  0.778092  0.138310  0.374261  1
  P  P150  1  0.444759  0.138310  0.374261  1
  P  P151  1  0.277596  0.212145  0.288590  1
  P  P152  1  0.944263  0.212145  0.288590  1
  P  P153  1  0.610929  0.212145  0.288590  1
  P  P154  1  0.211457  0.755159  0.372869  1
  P  P155  1  0.878124  0.755159  0.372869  1
  P  P156  1  0.544791  0.755159  0.372869  1
  P  P157  1  0.379520  0.297921  0.349672  1
  P  P158  1  0.046187  0.297921  0.349672  1
  P  P159  1  0.712854  0.297921  0.349672  1
  P  P160  1  0.314086  0.495957  0.341914  1
  P  P161  1  0.980753  0.495957  0.341914  1
  P  P162  1  0.647420  0.495957  0.341914  1
  P  P163  1  0.057685  0.691493  0.364228  1
  P  P164  1  0.724352  0.691493  0.364228  1
  P  P165  1  0.391019  0.691493  0.364228  1
  P  P166  1  0.297236  0.297868  0.331608  1
  P  P167  1  0.963902  0.297868  0.331608  1
  P  P168  1  0.630569  0.297868  0.331608  1
  P  P169  1  0.138756  0.235653  0.344663  1
  P  P170  1  0.805423  0.235653  0.344663  1
  P  P171  1  0.472089  0.235653  0.344663  1
  P  P172  1  0.208827  0.079627  0.374392  1
  P  P173  1  0.875494  0.079627  0.374392  1
  P  P174  1  0.542161  0.079627  0.374392  1
  P  P175  1  0.258640  0.262843  0.383145  1
  P  P176  1  0.925307  0.262843  0.383145  1
  P  P177  1  0.591974  0.262843  0.383145  1
  P  P178  1  0.039533  0.076122  0.369145  1
  P  P179  1  0.706199  0.076122  0.369145  1
  P  P180  1  0.372866  0.076122  0.369145  1
  P  P181  1  0.397105  0.053337  0.271541  1
  P  P182  1  0.063772  0.053337  0.271541  1
  P  P183  1  0.730438  0.053337  0.271541  1
  P  P184  1  0.117029  0.543924  0.297714  1
  P  P185  1  0.783695  0.543924  0.297714  1
  P  P186  1  0.450362  0.543924  0.297714  1
  P  P187  1  0.398620  0.497767  0.341012  1
  P  P188  1  0.065286  0.497767  0.341012  1
  P  P189  1  0.731953  0.497767  0.341012  1
  P  P190  1  0.140868  0.691721  0.364062  1
  P  P191  1  0.807535  0.691721  0.364062  1
  P  P192  1  0.474202  0.691721  0.364062  1
  P  P193  1  0.161416  0.114940  0.337389  1
  P  P194  1  0.828083  0.114940  0.337389  1
  P  P195  1  0.494750  0.114940  0.337389  1
  P  P196  1  0.209978  0.012448  0.377906  1
  P  P197  1  0.876644  0.012448  0.377906  1
  P  P198  1  0.543311  0.012448  0.377906  1
  P  P199  1  0.213474  0.295891  0.348137  1
  P  P200  1  0.880140  0.295891  0.348137  1
  P  P201  1  0.546807  0.295891  0.348137  1
  P  P202  1  0.225347  0.236036  0.325403  1
  P  P203  1  0.892014  0.236036  0.325403  1
  P  P204  1  0.558681  0.236036  0.325403  1
  P  P205  1  0.203460  0.154804  0.284873  1
  P  P206  1  0.870127  0.154804  0.284873  1
  P  P207  1  0.536794  0.154804  0.284873  1
  P  P208  1  0.343052  0.674599  0.309725  1
  P  P209  1  0.009718  0.674599  0.309725  1
  P  P210  1  0.676385  0.674599  0.309725  1
  P  P211  1  0.091264  0.263015  0.382847  1
  P  P212  1  0.757931  0.263015  0.382847  1
  P  P213  1  0.424597  0.263015  0.382847  1
  P  P214  1  0.081726  0.565329  0.349260  1
  P  P215  1  0.748393  0.565329  0.349260  1
  P  P216  1  0.415059  0.565329  0.349260  1
  P  P217  1  0.326486  0.110348  0.336434  1
  P  P218  1  0.993152  0.110348  0.336434  1
  P  P219  1  0.659819  0.110348  0.336434  1
  P  P220  1  0.336286  0.051069  0.313044  1
  P  P221  1  1.002953  0.051069  0.313044  1
  P  P222  1  0.669620  0.051069  0.313044  1
  P  P223  1  0.128808  0.756561  0.371472  1
  P  P224  1  0.795474  0.756561  0.371472  1
  P  P225  1  0.462141  0.756561  0.371472  1
  P  P226  1  0.355072  0.608572  0.302218  1
  P  P227  1  0.021739  0.608572  0.302218  1
  P  P228  1  0.688405  0.608572  0.302218  1
  P  P229  1  0.176712  0.676214  0.309298  1
  P  P230  1  0.843378  0.676214  0.309298  1
  P  P231  1  0.510045  0.676214  0.309298  1
  P  P232  1  0.085544  0.047596  0.330514  1
  P  P233  1  0.752211  0.047596  0.330514  1
  P  P234  1  0.418877  0.047596  0.330514  1
  P  P235  1  0.224774  0.691518  0.363780  1
  P  P236  1  0.891440  0.691518  0.363780  1
  P  P237  1  0.558107  0.691518  0.363780  1
  P  P238  1  0.280090  0.139247  0.374390  1
  P  P239  1  0.946757  0.139247  0.374390  1
  P  P240  1  0.613423  0.139247  0.374390  1
  P  P241  1  0.246895  0.740514  0.317847  1
  P  P242  1  0.913561  0.740514  0.317847  1
  P  P243  1  0.580228  0.740514  0.317847  1
  P  P244  1  0.200570  0.481578  0.292036  1
  P  P245  1  0.867236  0.481578  0.292036  1
  P  P246  1  0.533903  0.481578  0.292036  1
  P  P247  1  0.150523  0.498497  0.337834  1
  P  P248  1  0.817190  0.498497  0.337834  1
  P  P249  1  0.483857  0.498497  0.337834  1
  P  P250  1  0.237075  0.627636  0.355581  1
  P  P251  1  0.903742  0.627636  0.355581  1
  P  P252  1  0.570408  0.627636  0.355581  1
  P  P253  1  0.088141  0.253579  0.492537  1
  P  P254  1  0.754808  0.253579  0.492537  1
  P  P255  1  0.421474  0.253579  0.492537  1
  P  P256  1  0.268862  0.199576  0.398177  1
  P  P257  1  0.935529  0.199576  0.398177  1
  P  P258  1  0.602195  0.199576  0.398177  1
  P  P259  1  0.259901  0.865183  0.491829  1
  P  P260  1  0.926567  0.865183  0.491829  1
  P  P261  1  0.593234  0.865183  0.491829  1
  P  P262  1  0.169568  0.658814  0.412843  1
  P  P263  1  0.836235  0.658814  0.412843  1
  P  P264  1  0.502902  0.658814  0.412843  1
  P  P265  1  0.336016  0.657876  0.413143  1
  P  P266  1  1.002682  0.657876  0.413143  1
  P  P267  1  0.669349  0.657876  0.413143  1
  P  P268  1  0.053257  0.227260  0.435940  1
  P  P269  1  0.719924  0.227260  0.435940  1
  P  P270  1  0.386590  0.227260  0.435940  1
  P  P271  1  0.182957  0.594280  0.404169  1
  P  P272  1  0.849624  0.594280  0.404169  1
  P  P273  1  0.516291  0.594280  0.404169  1
  P  P274  1  0.093265  0.866002  0.491923  1
  P  P275  1  0.759932  0.866002  0.491923  1
  P  P276  1  0.426599  0.866002  0.491923  1
  P  P277  1  0.147488  0.608503  0.459416  1
  P  P278  1  0.814154  0.608503  0.459416  1
  P  P279  1  0.480821  0.608503  0.459416  1
  P  P280  1  0.230579  0.607612  0.459093  1
  P  P281  1  0.897246  0.607612  0.459093  1
  P  P282  1  0.563913  0.607612  0.459093  1
  P  P283  1  0.050626  0.672587  0.467321  1
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