# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   37.75423595
_cell_length_b   44.74227014
_cell_length_c   52.21701393
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.86976070
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P384
_cell_volume   80497.9874982
_cell_formula_units_Z   384
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  0.085714  0.380235  0.294880  1
  P  P2  1  0.054128  0.828933  0.350403  1
  P  P3  1  0.554128  0.328933  0.350403  1
  P  P4  1  0.585714  0.880235  0.294880  1
  P  P5  1  0.040328  0.492846  0.371891  1
  P  P6  1  0.071596  0.045163  0.316335  1
  P  P7  1  0.571596  0.545163  0.316335  1
  P  P8  1  0.540328  0.992846  0.371891  1
  P  P9  1  0.063545  0.321711  0.290372  1
  P  P10  1  0.031430  0.769024  0.345796  1
  P  P11  1  0.531430  0.269024  0.345796  1
  P  P12  1  0.563545  0.821711  0.290372  1
  P  P13  1  0.063026  0.552756  0.376498  1
  P  P14  1  0.094294  0.105073  0.320943  1
  P  P15  1  0.594294  0.605073  0.320943  1
  P  P16  1  0.563026  0.052756  0.376498  1
  P  P17  1  0.147076  0.310543  0.303878  1
  P  P18  1  0.116950  0.757588  0.359600  1
  P  P19  1  0.616950  0.257588  0.359600  1
  P  P20  1  0.647076  0.810543  0.303878  1
  P  P21  1  0.977506  0.564191  0.362695  1
  P  P22  1  0.008774  0.116508  0.307139  1
  P  P23  1  0.508774  0.616508  0.307139  1
  P  P24  1  0.477506  0.064191  0.362695  1
  P  P25  1  0.053581  0.227856  0.359760  1
  P  P26  1  0.084849  0.780173  0.304205  1
  P  P27  1  0.584849  0.280173  0.304205  1
  P  P28  1  0.553581  0.727856  0.359760  1
  P  P29  1  0.072167  0.646234  0.306976  1
  P  P30  1  0.040875  0.093924  0.362534  1
  P  P31  1  0.540875  0.593924  0.362534  1
  P  P32  1  0.572167  0.146234  0.306976  1
  P  P33  1  0.266690  0.439660  0.300121  1
  P  P34  1  0.235422  0.887343  0.355676  1
  P  P35  1  0.735422  0.387343  0.355676  1
  P  P36  1  0.766690  0.939660  0.300121  1
  P  P37  1  0.859034  0.434437  0.366618  1
  P  P38  1  0.891240  0.987028  0.311123  1
  P  P39  1  0.391240  0.487028  0.311123  1
  P  P40  1  0.359034  0.934437  0.366618  1
  P  P41  1  0.177654  0.458567  0.292335  1
  P  P42  1  0.146386  0.906250  0.347890  1
  P  P43  1  0.646386  0.406250  0.347890  1
  P  P44  1  0.677654  0.958567  0.292335  1
  P  P45  1  0.948070  0.415530  0.374404  1
  P  P46  1  0.978212  0.968560  0.318742  1
  P  P47  1  0.478212  0.468560  0.318742  1
  P  P48  1  0.448070  0.915530  0.374404  1
  P  P49  1  0.234940  0.384852  0.299298  1
  P  P50  1  0.203672  0.832535  0.354854  1
  P  P51  1  0.703672  0.332535  0.354854  1
  P  P52  1  0.734940  0.884852  0.299298  1
  P  P53  1  0.890784  0.489245  0.367440  1
  P  P54  1  0.922255  0.040567  0.311928  1
  P  P55  1  0.422255  0.540567  0.311928  1
  P  P56  1  0.390784  0.989245  0.367440  1
  P  P57  1  0.216199  0.433322  0.345840  1
  P  P58  1  0.247482  0.985631  0.290282  1
  P  P59  1  0.747482  0.485631  0.290282  1
  P  P60  1  0.716199  0.933322  0.345840  1
  P  P61  1  0.909524  0.440774  0.320898  1
  P  P62  1  0.878256  0.888457  0.376454  1
  P  P63  1  0.378256  0.388457  0.376454  1
  P  P64  1  0.409524  0.940774  0.320898  1
  P  P65  1  0.934566  0.253539  0.280910  1
  P  P66  1  0.903298  0.701222  0.336466  1
  P  P67  1  0.403298  0.201222  0.336466  1
  P  P68  1  0.434566  0.753539  0.280910  1
  P  P69  1  0.191158  0.620558  0.385829  1
  P  P70  1  0.222426  0.172875  0.330273  1
  P  P71  1  0.722426  0.672875  0.330273  1
  P  P72  1  0.691158  0.120558  0.385829  1
  P  P73  1  0.879772  0.258643  0.327467  1
  P  P74  1  0.848504  0.706326  0.383023  1
  P  P75  1  0.348504  0.206326  0.383023  1
  P  P76  1  0.379772  0.758643  0.327467  1
  P  P77  1  0.245951  0.615454  0.339272  1
  P  P78  1  0.277220  0.167771  0.283716  1
  P  P79  1  0.777220  0.667771  0.283716  1
  P  P80  1  0.745951  0.115454  0.339272  1
  P  P81  1  0.848714  0.306654  0.280850  1
  P  P82  1  0.817446  0.754337  0.336405  1
  P  P83  1  0.317446  0.254337  0.336405  1
  P  P84  1  0.348714  0.806654  0.280850  1
  P  P85  1  0.277009  0.567442  0.385889  1
  P  P86  1  0.308277  0.119759  0.330333  1
  P  P87  1  0.808277  0.619759  0.330333  1
  P  P88  1  0.777009  0.067442  0.385889  1
  P  P89  1  0.909947  0.313574  0.318329  1
  P  P90  1  0.878679  0.761257  0.373884  1
  P  P91  1  0.378679  0.261257  0.373884  1
  P  P92  1  0.409947  0.813574  0.318329  1
  P  P93  1  0.215776  0.560523  0.348410  1
  P  P94  1  0.247045  0.112840  0.292854  1
  P  P95  1  0.747045  0.612840  0.292854  1
  P  P96  1  0.715776  0.060523  0.348410  1
  P  P97  1  0.022859  0.276617  0.405959  1
  P  P98  1  0.991591  0.724300  0.461515  1
  P  P99  1  0.491591  0.224300  0.461515  1
  P  P100  1  0.522859  0.776617  0.405959  1
  P  P101  1  0.977792  0.388212  0.483002  1
  P  P102  1  0.009060  0.940529  0.427447  1
  P  P103  1  0.509060  0.440529  0.427447  1
  P  P104  1  0.477792  0.888212  0.483002  1
  P  P105  1  1.000161  0.216707  0.401351  1
  P  P106  1  0.968893  0.664390  0.456907  1
  P  P107  1  0.468893  0.164390  0.456907  1
  P  P108  1  0.500161  0.716707  0.401351  1
  P  P109  1  0.000490  0.448122  0.487610  1
  P  P110  1  0.031758  1.000439  0.432054  1
  P  P111  1  0.531758  0.500439  0.432054  1
  P  P112  1  0.500490  0.948122  0.487610  1
  P  P113  1  0.085682  0.205271  0.415155  1
  P  P114  1  0.054413  0.652955  0.470711  1
  P  P115  1  0.554413  0.152955  0.470711  1
  P  P116  1  0.585682  0.705271  0.415155  1
  P  P117  1  0.914969  0.459558  0.473806  1
  P  P118  1  0.946238  0.011874  0.418250  1
  P  P119  1  0.446238  0.511874  0.418250  1
  P  P120  1  0.414969  0.959558  0.473806  1
  P  P121  1  0.991044  0.123222  0.470871  1
  P  P122  1  0.022312  0.675539  0.415316  1
  P  P123  1  0.522312  0.175539  0.415316  1
  P  P124  1  0.491044  0.623222  0.470871  1
  P  P125  1  0.009607  0.541607  0.418090  1
  P  P126  1  0.978338  0.989290  0.473645  1
  P  P127  1  0.478338  0.489290  0.473645  1
  P  P128  1  0.509607  0.041607  0.418090  1
  P  P129  1  0.204153  0.335026  0.411232  1
  P  P130  1  0.172885  0.782709  0.466787  1
  P  P131  1  0.672885  0.282709  0.466787  1
  P  P132  1  0.704153  0.835026  0.411232  1
  P  P133  1  0.796498  0.329803  0.477729  1
  P  P134  1  0.827766  0.882120  0.422174  1
  P  P135  1  0.327766  0.382120  0.422174  1
  P  P136  1  0.296498  0.829803  0.477729  1
  P  P137  1  0.115117  0.353933  0.403446  1
  P  P138  1  0.083849  0.801616  0.459002  1
  P  P139  1  0.583849  0.301616  0.459002  1
  P  P140  1  0.615117  0.853933  0.403446  1
  P  P141  1  0.885534  0.310896  0.485515  1
  P  P142  1  0.916802  0.863213  0.429960  1
  P  P143  1  0.416802  0.363213  0.429960  1
  P  P144  1  0.385534  0.810896  0.485515  1
  P  P145  1  0.172404  0.280218  0.410409  1
  P  P146  1  0.141135  0.727901  0.465965  1
  P  P147  1  0.641135  0.227901  0.465965  1
  P  P148  1  0.672404  0.780218  0.410409  1
  P  P149  1  0.828247  0.384611  0.478552  1
  P  P150  1  0.859516  0.936928  0.422996  1
  P  P151  1  0.359516  0.436928  0.422996  1
  P  P152  1  0.328247  0.884611  0.478552  1
  P  P153  1  0.153663  0.328689  0.456952  1
  P  P154  1  0.184931  0.881005  0.401396  1
  P  P155  1  0.684931  0.381005  0.401396  1
  P  P156  1  0.653663  0.828689  0.456952  1
  P  P157  1  0.846988  0.336140  0.432010  1
  P  P158  1  0.815720  0.783824  0.487565  1
  P  P159  1  0.315720  0.283824  0.487565  1
  P  P160  1  0.346988  0.836140  0.432010  1
  P  P161  1  0.872029  0.148905  0.392021  1
  P  P162  1  0.840761  0.596588  0.447577  1
  P  P163  1  0.340761  0.096588  0.447577  1
  P  P164  1  0.372029  0.648905  0.392021  1
  P  P165  1  0.128622  0.515924  0.496940  1
  P  P166  1  0.159890  0.068241  0.441384  1
  P  P167  1  0.659890  0.568241  0.441384  1
  P  P168  1  0.628622  0.015924  0.496940  1
  P  P169  1  0.817236  0.154009  0.438578  1
  P  P170  1  0.785968  0.601692  0.494134  1
  P  P171  1  0.285968  0.101692  0.494134  1
  P  P172  1  0.317236  0.654009  0.438578  1
  P  P173  1  0.183415  0.510820  0.450383  1
  P  P174  1  0.214683  0.063137  0.394827  1
  P  P175  1  0.714683  0.563137  0.394827  1
  P  P176  1  0.683415  0.010820  0.450383  1
  P  P177  1  0.786178  0.202021  0.391961  1
  P  P178  1  0.754910  0.649704  0.447516  1
  P  P179  1  0.254910  0.149704  0.447516  1
  P  P180  1  0.286178  0.702021  0.391961  1
  P  P181  1  0.214473  0.462809  0.497000  1
  P  P182  1  0.245741  0.015125  0.441445  1
  P  P183  1  0.745741  0.515125  0.441445  1
  P  P184  1  0.714473  0.962809  0.497000  1
  P  P185  1  0.847411  0.208940  0.429440  1
  P  P186  1  0.816143  0.656623  0.484995  1
  P  P187  1  0.316143  0.156623  0.484995  1
  P  P188  1  0.347411  0.708940  0.429440  1
  P  P189  1  0.153240  0.455889  0.459521  1
  P  P190  1  0.184508  0.008206  0.403966  1
  P  P191  1  0.684508  0.508206  0.403966  1
  P  P192  1  0.653240  0.955889  0.459521  1
  P  P193  1  0.960323  0.171983  0.517070  1
  P  P194  1  0.929055  0.619666  0.572626  1
  P  P195  1  0.429055  0.119666  0.572626  1
  P  P196  1  0.460323  0.671983  0.517070  1
  P  P197  1  0.915255  0.283579  0.594113  1
  P  P198  1  0.946523  0.835896  0.538558  1
  P  P199  1  0.446523  0.335896  0.538558  1
  P  P200  1  0.415255  0.783579  0.594113  1
  P  P201  1  0.937625  0.112073  0.512463  1
  P  P202  1  0.906357  0.559756  0.568018  1
  P  P203  1  0.406357  0.059756  0.568018  1
  P  P204  1  0.437625  0.612073  0.512463  1
  P  P205  1  0.937953  0.343489  0.598721  1
  P  P206  1  0.969221  0.895805  0.543165  1
  P  P207  1  0.469221  0.395805  0.543165  1
  P  P208  1  0.437953  0.843489  0.598721  1
  P  P209  1  0.023145  0.100638  0.526266  1
  P  P210  1  0.991877  0.548321  0.581822  1
  P  P211  1  0.491877  0.048321  0.581822  1
  P  P212  1  0.523145  0.600638  0.526266  1
  P  P213  1  0.852433  0.354924  0.584917  1
  P  P214  1  0.883701  0.907241  0.529361  1
  P  P215  1  0.383701  0.407241  0.529361  1
  P  P216  1  0.352433  0.854924  0.584917  1
  P  P217  1  0.928508  0.018588  0.581983  1
  P  P218  1  0.959776  0.570905  0.526427  1
  P  P219  1  0.459776  0.070905  0.526427  1
  P  P220  1  0.428508  0.518588  0.581983  1
  P  P221  1  0.947070  0.436973  0.529201  1
  P  P222  1  0.915802  0.884656  0.584756  1
  P  P223  1  0.415802  0.384656  0.584756  1
  P  P224  1  0.447070  0.936973  0.529201  1
  P  P225  1  0.141617  0.230392  0.522343  1
  P  P226  1  0.110349  0.678075  0.577898  1
  P  P227  1  0.610349  0.178075  0.577898  1
  P  P228  1  0.641617  0.730392  0.522343  1
  P  P229  1  0.733961  0.225169  0.588840  1
  P  P230  1  0.765229  0.777486  0.533285  1
  P  P231  1  0.265229  0.277486  0.533285  1
  P  P232  1  0.233961  0.725169  0.588840  1
  P  P233  1  0.052581  0.249299  0.514557  1
  P  P234  1  0.021313  0.696982  0.570113  1
  P  P235  1  0.521313  0.196982  0.570113  1
  P  P236  1  0.552581  0.749299  0.514557  1
  P  P237  1  0.822997  0.206262  0.596626  1
  P  P238  1  0.854265  0.758579  0.541071  1
  P  P239  1  0.354265  0.258579  0.541071  1
  P  P240  1  0.322997  0.706262  0.596626  1
  P  P241  1  0.109867  0.175584  0.521521  1
  P  P242  1  0.078599  0.623267  0.577076  1
  P  P243  1  0.578599  0.123267  0.577076  1
  P  P244  1  0.609867  0.675584  0.521521  1
  P  P245  1  0.765711  0.279977  0.589663  1
  P  P246  1  0.796979  0.832294  0.534107  1
  P  P247  1  0.296979  0.332294  0.534107  1
  P  P248  1  0.265711  0.779977  0.589663  1
  P  P249  1  0.091127  0.224055  0.568063  1
  P  P250  1  0.122395  0.776372  0.512507  1
  P  P251  1  0.622395  0.276372  0.512507  1
  P  P252  1  0.591127  0.724055  0.568063  1
  P  P253  1  0.784452  0.231507  0.543121  1
  P  P254  1  0.753183  0.679190  0.598676  1
  P  P255  1  0.253183  0.179190  0.598676  1
  P  P256  1  0.284452  0.731507  0.543121  1
  P  P257  1  0.809493  0.044271  0.503133  1
  P  P258  1  0.778225  0.491954  0.558688  1
  P  P259  1  0.278225  0.991954  0.558688  1
  P  P260  1  0.309493  0.544271  0.503133  1
  P  P261  1  0.066085  0.411290  0.608051  1
  P  P262  1  0.097353  0.963607  0.552495  1
  P  P263  1  0.597353  0.463607  0.552495  1
  P  P264  1  0.566085  0.911290  0.608051  1
  P  P265  1  0.754699  0.049375  0.549690  1
  P  P266  1  0.723431  0.497058  0.605245  1
  P  P267  1  0.223431  0.997058  0.605245  1
  P  P268  1  0.254699  0.549375  0.549690  1
  P  P269  1  0.120879  0.406187  0.561494  1
  P  P270  1  0.152147  0.958503  0.505938  1
  P  P271  1  0.652147  0.458503  0.505938  1
  P  P272  1  0.620879  0.906187  0.561494  1
  P  P273  1  0.723642  0.097387  0.503072  1
  P  P274  1  0.692374  0.545070  0.558628  1
  P  P275  1  0.192374  0.045070  0.558628  1
  P  P276  1  0.223642  0.597387  0.503072  1
  P  P277  1  0.151936  0.358175  0.608111  1
  P  P278  1  0.183205  0.910492  0.552556  1
  P  P279  1  0.683205  0.410492  0.552556  1
  P  P280  1  0.651936  0.858175  0.608111  1
  P  P281  1  0.784874  0.104306  0.540551  1
  P  P282  1  0.753606  0.551989  0.596107  1
  P  P283  1  0.253606  0.051989  0.596107  1
  P  P284  1  0.284874  0.604306  0.540551  1
  P  P285  1  0.090704  0.351255  0.570632  1
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