# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   76.32875575
_cell_length_b   55.73309520
_cell_length_c   50.15740317
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   48.66313964
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P864
_cell_volume   160207.716116
_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  0.672679  0.570070  0.289375  1
  P  P2  1  0.580241  0.911997  0.456041  1
  P  P3  1  0.006013  0.570070  0.289375  1
  P  P4  1  0.626460  0.991034  0.372708  1
  P  P5  1  0.913574  0.911997  0.456041  1
  P  P6  1  0.672679  0.070070  0.289375  1
  P  P7  1  0.339346  0.570070  0.289375  1
  P  P8  1  0.959793  0.991034  0.372708  1
  P  P9  1  0.580241  0.411997  0.456041  1
  P  P10  1  0.246907  0.911997  0.456041  1
  P  P11  1  0.006013  0.070070  0.289375  1
  P  P12  1  0.626460  0.491034  0.372708  1
  P  P13  1  0.293127  0.991034  0.372708  1
  P  P14  1  0.913574  0.411997  0.456041  1
  P  P15  1  0.339346  0.070070  0.289375  1
  P  P16  1  0.959793  0.491034  0.372708  1
  P  P17  1  0.246907  0.411997  0.456041  1
  P  P18  1  0.293127  0.491034  0.372708  1
  P  P19  1  0.579067  0.724282  0.459914  1
  P  P20  1  0.625287  0.803318  0.376581  1
  P  P21  1  0.912400  0.724282  0.459914  1
  P  P22  1  0.672080  0.881486  0.292975  1
  P  P23  1  0.958620  0.803318  0.376581  1
  P  P24  1  0.579067  0.224282  0.459914  1
  P  P25  1  0.245734  0.724282  0.459914  1
  P  P26  1  0.005414  0.881486  0.292975  1
  P  P27  1  0.625287  0.303318  0.376581  1
  P  P28  1  0.291953  0.803318  0.376581  1
  P  P29  1  0.912400  0.224282  0.459914  1
  P  P30  1  0.672080  0.381486  0.292975  1
  P  P31  1  0.338747  0.881486  0.292975  1
  P  P32  1  0.958620  0.303318  0.376581  1
  P  P33  1  0.245734  0.224282  0.459914  1
  P  P34  1  0.005414  0.381486  0.292975  1
  P  P35  1  0.291953  0.303318  0.376581  1
  P  P36  1  0.338747  0.381486  0.292975  1
  P  P37  1  0.656526  0.577917  0.348707  1
  P  P38  1  0.702708  0.657085  0.265397  1
  P  P39  1  0.989859  0.577917  0.348707  1
  P  P40  1  0.610306  0.998881  0.432040  1
  P  P41  1  0.036041  0.657085  0.265397  1
  P  P42  1  0.656526  0.077917  0.348707  1
  P  P43  1  0.323193  0.577917  0.348707  1
  P  P44  1  0.943640  0.998881  0.432040  1
  P  P45  1  0.702708  0.157085  0.265397  1
  P  P46  1  0.369375  0.657085  0.265397  1
  P  P47  1  0.989859  0.077917  0.348707  1
  P  P48  1  0.610306  0.498881  0.432040  1
  P  P49  1  0.276973  0.998881  0.432040  1
  P  P50  1  0.036041  0.157085  0.265397  1
  P  P51  1  0.323193  0.077917  0.348707  1
  P  P52  1  0.943640  0.498881  0.432040  1
  P  P53  1  0.369375  0.157085  0.265397  1
  P  P54  1  0.276973  0.498881  0.432040  1
  P  P55  1  0.595221  0.716434  0.400582  1
  P  P56  1  0.641440  0.795471  0.317249  1
  P  P57  1  0.928554  0.716434  0.400582  1
  P  P58  1  0.549001  0.137398  0.483916  1
  P  P59  1  0.974773  0.795471  0.317249  1
  P  P60  1  0.595221  0.216434  0.400582  1
  P  P61  1  0.261887  0.716434  0.400582  1
  P  P62  1  0.882335  0.137398  0.483916  1
  P  P63  1  0.641440  0.295471  0.317249  1
  P  P64  1  0.308107  0.795471  0.317249  1
  P  P65  1  0.928554  0.216434  0.400582  1
  P  P66  1  0.549001  0.637398  0.483916  1
  P  P67  1  0.215668  0.137398  0.483916  1
  P  P68  1  0.974773  0.295471  0.317249  1
  P  P69  1  0.261887  0.216434  0.400582  1
  P  P70  1  0.882335  0.637398  0.483916  1
  P  P71  1  0.308107  0.295471  0.317249  1
  P  P72  1  0.215668  0.637398  0.483916  1
  P  P73  1  0.619341  0.619375  0.303577  1
  P  P74  1  0.526902  0.961302  0.470244  1
  P  P75  1  0.952674  0.619375  0.303577  1
  P  P76  1  0.573121  0.040338  0.386911  1
  P  P77  1  0.860235  0.961302  0.470244  1
  P  P78  1  0.619341  0.119375  0.303577  1
  P  P79  1  0.286007  0.619375  0.303577  1
  P  P80  1  0.906455  0.040338  0.386911  1
  P  P81  1  0.526902  0.461302  0.470244  1
  P  P82  1  0.193568  0.961302  0.470244  1
  P  P83  1  0.952674  0.119375  0.303577  1
  P  P84  1  0.573121  0.540338  0.386911  1
  P  P85  1  0.239788  0.040338  0.386911  1
  P  P86  1  0.860235  0.461302  0.470244  1
  P  P87  1  0.286007  0.119375  0.303577  1
  P  P88  1  0.906455  0.540338  0.386911  1
  P  P89  1  0.193568  0.461302  0.470244  1
  P  P90  1  0.239788  0.540338  0.386911  1
  P  P91  1  0.632406  0.674977  0.445712  1
  P  P92  1  0.678625  0.754013  0.362379  1
  P  P93  1  0.965739  0.674977  0.445712  1
  P  P94  1  0.724171  0.833368  0.279034  1
  P  P95  1  0.011959  0.754013  0.362379  1
  P  P96  1  0.632406  0.174977  0.445712  1
  P  P97  1  0.299073  0.674977  0.445712  1
  P  P98  1  0.057504  0.833368  0.279034  1
  P  P99  1  0.678625  0.254013  0.362379  1
  P  P100  1  0.345292  0.754013  0.362379  1
  P  P101  1  0.965739  0.174977  0.445712  1
  P  P102  1  0.724171  0.333368  0.279034  1
  P  P103  1  0.390838  0.833368  0.279034  1
  P  P104  1  0.011959  0.254013  0.362379  1
  P  P105  1  0.299073  0.174977  0.445712  1
  P  P106  1  0.057504  0.333368  0.279034  1
  P  P107  1  0.345292  0.254013  0.362379  1
  P  P108  1  0.390838  0.333368  0.279034  1
  P  P109  1  0.651841  0.632484  0.321113  1
  P  P110  1  0.559402  0.974411  0.487780  1
  P  P111  1  0.985174  0.632484  0.321113  1
  P  P112  1  0.605622  0.053447  0.404447  1
  P  P113  1  0.892736  0.974411  0.487780  1
  P  P114  1  0.651841  0.132484  0.321113  1
  P  P115  1  0.318508  0.632484  0.321113  1
  P  P116  1  0.938955  0.053447  0.404447  1
  P  P117  1  0.559402  0.474411  0.487780  1
  P  P118  1  0.226069  0.974411  0.487780  1
  P  P119  1  0.985174  0.132484  0.321113  1
  P  P120  1  0.605622  0.553447  0.404447  1
  P  P121  1  0.272288  0.053447  0.404447  1
  P  P122  1  0.892736  0.474411  0.487780  1
  P  P123  1  0.318508  0.132484  0.321113  1
  P  P124  1  0.938955  0.553447  0.404447  1
  P  P125  1  0.226069  0.474411  0.487780  1
  P  P126  1  0.272288  0.553447  0.404447  1
  P  P127  1  0.599906  0.661868  0.428176  1
  P  P128  1  0.646125  0.740904  0.344843  1
  P  P129  1  0.933239  0.661868  0.428176  1
  P  P130  1  0.692406  0.820621  0.261817  1
  P  P131  1  0.979458  0.740904  0.344843  1
  P  P132  1  0.599906  0.161868  0.428176  1
  P  P133  1  0.266572  0.661868  0.428176  1
  P  P134  1  0.025740  0.820621  0.261817  1
  P  P135  1  0.646125  0.240904  0.344843  1
  P  P136  1  0.312792  0.740904  0.344843  1
  P  P137  1  0.933239  0.161868  0.428176  1
  P  P138  1  0.692406  0.320621  0.261817  1
  P  P139  1  0.359073  0.820621  0.261817  1
  P  P140  1  0.979458  0.240904  0.344843  1
  P  P141  1  0.266572  0.161868  0.428176  1
  P  P142  1  0.025740  0.320621  0.261817  1
  P  P143  1  0.312792  0.240904  0.344843  1
  P  P144  1  0.359073  0.320621  0.261817  1
  P  P145  1  0.448670  0.834057  0.471665  1
  P  P146  1  0.494890  0.913093  0.388332  1
  P  P147  1  0.782004  0.834057  0.471665  1
  P  P148  1  0.541109  0.992130  0.304998  1
  P  P149  1  0.828223  0.913093  0.388332  1
  P  P150  1  0.448670  0.334057  0.471665  1
  P  P151  1  0.115337  0.834057  0.471665  1
  P  P152  1  0.874443  0.992130  0.304998  1
  P  P153  1  0.494890  0.413093  0.388332  1
  P  P154  1  0.161556  0.913093  0.388332  1
  P  P155  1  0.782004  0.334057  0.471665  1
  P  P156  1  0.541109  0.492130  0.304998  1
  P  P157  1  0.207776  0.992130  0.304998  1
  P  P158  1  0.828223  0.413093  0.388332  1
  P  P159  1  0.115337  0.334057  0.471665  1
  P  P160  1  0.874443  0.492130  0.304998  1
  P  P161  1  0.161556  0.413093  0.388332  1
  P  P162  1  0.207776  0.492130  0.304998  1
  P  P163  1  0.802880  0.462250  0.276977  1
  P  P164  1  0.710637  0.802222  0.444291  1
  P  P165  1  0.136213  0.462250  0.276977  1
  P  P166  1  0.756857  0.881258  0.360957  1
  P  P167  1  0.043971  0.802222  0.444291  1
  P  P168  1  0.802880  0.962250  0.276977  1
  P  P169  1  0.469546  0.462250  0.276977  1
  P  P170  1  0.090190  0.881258  0.360957  1
  P  P171  1  0.710637  0.302222  0.444291  1
  P  P172  1  0.377304  0.802222  0.444291  1
  P  P173  1  0.136213  0.962250  0.276977  1
  P  P174  1  0.756857  0.381258  0.360957  1
  P  P175  1  0.423523  0.881258  0.360957  1
  P  P176  1  0.043971  0.302222  0.444291  1
  P  P177  1  0.469546  0.962250  0.276977  1
  P  P178  1  0.090190  0.381258  0.360957  1
  P  P179  1  0.377304  0.302222  0.444291  1
  P  P180  1  0.423523  0.381258  0.360957  1
  P  P181  1  0.625735  0.523184  0.262190  1
  P  P182  1  0.535089  0.863451  0.428206  1
  P  P183  1  0.959068  0.523184  0.262190  1
  P  P184  1  0.581308  0.942488  0.344873  1
  P  P185  1  0.868422  0.863451  0.428206  1
  P  P186  1  0.625735  0.023184  0.262190  1
  P  P187  1  0.292401  0.523184  0.262190  1
  P  P188  1  0.914642  0.942488  0.344873  1
  P  P189  1  0.535089  0.363451  0.428206  1
  P  P190  1  0.201756  0.863451  0.428206  1
  P  P191  1  0.959068  0.023184  0.262190  1
  P  P192  1  0.581308  0.442488  0.344873  1
  P  P193  1  0.247975  0.942488  0.344873  1
  P  P194  1  0.868422  0.363451  0.428206  1
  P  P195  1  0.292401  0.023184  0.262190  1
  P  P196  1  0.914642  0.442488  0.344873  1
  P  P197  1  0.201756  0.363451  0.428206  1
  P  P198  1  0.247975  0.442488  0.344873  1
  P  P199  1  0.624219  0.772828  0.487750  1
  P  P200  1  0.670438  0.851864  0.404416  1
  P  P201  1  0.957552  0.772828  0.487750  1
  P  P202  1  0.716658  0.930900  0.321083  1
  P  P203  1  0.003771  0.851864  0.404416  1
  P  P204  1  0.624219  0.272828  0.487750  1
  P  P205  1  0.290885  0.772828  0.487750  1
  P  P206  1  0.049991  0.930900  0.321083  1
  P  P207  1  0.670438  0.351864  0.404416  1
  P  P208  1  0.337105  0.851864  0.404416  1
  P  P209  1  0.957552  0.272828  0.487750  1
  P  P210  1  0.716658  0.430900  0.321083  1
  P  P211  1  0.383324  0.930900  0.321083  1
  P  P212  1  0.003771  0.351864  0.404416  1
  P  P213  1  0.290885  0.272828  0.487750  1
  P  P214  1  0.049991  0.430900  0.321083  1
  P  P215  1  0.337105  0.351864  0.404416  1
  P  P216  1  0.383324  0.430900  0.321083  1
  P  P217  1  0.577351  0.568254  0.280748  1
  P  P218  1  0.483153  0.911878  0.448038  1
  P  P219  1  0.910684  0.568254  0.280748  1
  P  P220  1  0.529372  0.990915  0.364704  1
  P  P221  1  0.816486  0.911878  0.448038  1
  P  P222  1  0.577351  0.068254  0.280748  1
  P  P223  1  0.244018  0.568254  0.280748  1
  P  P224  1  0.862705  0.990915  0.364704  1
  P  P225  1  0.483153  0.411878  0.448038  1
  P  P226  1  0.149819  0.911878  0.448038  1
  P  P227  1  0.910684  0.068254  0.280748  1
  P  P228  1  0.529372  0.490915  0.364704  1
  P  P229  1  0.196039  0.990915  0.364704  1
  P  P230  1  0.816486  0.411878  0.448038  1
  P  P231  1  0.244018  0.068254  0.280748  1
  P  P232  1  0.862705  0.490915  0.364704  1
  P  P233  1  0.149819  0.411878  0.448038  1
  P  P234  1  0.196039  0.490915  0.364704  1
  P  P235  1  0.676155  0.724401  0.467918  1
  P  P236  1  0.722374  0.803437  0.384585  1
  P  P237  1  0.009488  0.724401  0.467918  1
  P  P238  1  0.768594  0.882474  0.301252  1
  P  P239  1  0.055708  0.803437  0.384585  1
  P  P240  1  0.676155  0.224401  0.467918  1
  P  P241  1  0.342822  0.724401  0.467918  1
  P  P242  1  0.101927  0.882474  0.301252  1
  P  P243  1  0.722374  0.303437  0.384585  1
  P  P244  1  0.389041  0.803437  0.384585  1
  P  P245  1  0.009488  0.224401  0.467918  1
  P  P246  1  0.768594  0.382474  0.301252  1
  P  P247  1  0.435261  0.882474  0.301252  1
  P  P248  1  0.055708  0.303437  0.384585  1
  P  P249  1  0.342822  0.224401  0.467918  1
  P  P250  1  0.101927  0.382474  0.301252  1
  P  P251  1  0.389041  0.303437  0.384585  1
  P  P252  1  0.435261  0.382474  0.301252  1
  P  P253  1  0.499674  0.855969  0.409448  1
  P  P254  1  0.545894  0.935005  0.326114  1
  P  P255  1  0.833008  0.855969  0.409448  1
  P  P256  1  0.453455  0.276932  0.492781  1
  P  P257  1  0.879227  0.935005  0.326114  1
  P  P258  1  0.499674  0.355969  0.409448  1
  P  P259  1  0.166341  0.855969  0.409448  1
  P  P260  1  0.786788  0.276932  0.492781  1
  P  P261  1  0.545894  0.435005  0.326114  1
  P  P262  1  0.212560  0.935005  0.326114  1
  P  P263  1  0.833008  0.355969  0.409448  1
  P  P264  1  0.453455  0.776932  0.492781  1
  P  P265  1  0.120121  0.276932  0.492781  1
  P  P266  1  0.879227  0.435005  0.326114  1
  P  P267  1  0.166341  0.355969  0.409448  1
  P  P268  1  0.786788  0.776932  0.492781  1
  P  P269  1  0.212560  0.435005  0.326114  1
  P  P270  1  0.120121  0.776932  0.492781  1
  P  P271  1  0.752072  0.438383  0.339841  1
  P  P272  1  0.798454  0.515426  0.257183  1
  P  P273  1  0.085406  0.438383  0.339841  1
  P  P274  1  0.705853  0.859347  0.423175  1
  P  P275  1  0.131788  0.515426  0.257183  1
  P  P276  1  0.752072  0.938383  0.339841  1
  P  P277  1  0.418739  0.438383  0.339841  1
  P  P278  1  0.039186  0.859347  0.423175  1
  P  P279  1  0.798454  0.015426  0.257183  1
  P  P280  1  0.465121  0.515426  0.257183  1
  P  P281  1  0.085406  0.938383  0.339841  1
  P  P282  1  0.705853  0.359347  0.423175  1
  P  P283  1  0.372520  0.859347  0.423175  1
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