# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.40916512
_cell_length_b   46.24168902
_cell_length_c   44.72518002
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.52446128
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P384
_cell_volume   41212.9405035
_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  0.992231  0.704639  0.374629  1
  P  P2  1  0.492231  0.704639  0.374629  1
  P  P3  1  0.113088  0.055192  0.352028  1
  P  P4  1  0.934567  0.365528  0.395783  1
  P  P5  1  0.613088  0.055192  0.352028  1
  P  P6  1  0.434567  0.365528  0.395783  1
  P  P7  1  0.064081  0.637580  0.386045  1
  P  P8  1  0.564081  0.637580  0.386045  1
  P  P9  1  0.856048  0.943951  0.426136  1
  P  P10  1  0.854701  0.290888  0.416957  1
  P  P11  1  0.356048  0.943951  0.426136  1
  P  P12  1  0.354701  0.290888  0.416957  1
  P  P13  1  0.973701  0.688644  0.446207  1
  P  P14  1  0.473701  0.688644  0.446207  1
  P  P15  1  1.020704  0.056326  0.409575  1
  P  P16  1  0.033968  0.412322  0.392331  1
  P  P17  1  0.520704  0.056326  0.409575  1
  P  P18  1  0.533968  0.412322  0.392331  1
  P  P19  1  0.913252  0.638686  0.416669  1
  P  P20  1  0.413252  0.638686  0.416669  1
  P  P21  1  1.005402  0.918509  0.378783  1
  P  P22  1  1.008476  0.299042  0.392087  1
  P  P23  1  0.505402  0.918509  0.378783  1
  P  P24  1  0.508476  0.299042  0.392087  1
  P  P25  1  0.205804  0.753243  0.416340  1
  P  P26  1  0.705804  0.753243  0.416340  1
  P  P27  1  0.338506  0.085213  0.410023  1
  P  P28  1  0.361065  0.431088  0.377004  1
  P  P29  1  0.838506  0.085213  0.410023  1
  P  P30  1  0.861065  0.431088  0.377004  1
  P  P31  1  0.396376  0.599426  0.361566  1
  P  P32  1  0.896376  0.599426  0.361566  1
  P  P33  1  0.309723  0.882689  0.438286  1
  P  P34  1  0.282055  0.238343  0.391013  1
  P  P35  1  0.809723  0.882689  0.438286  1
  P  P36  1  0.782055  0.238343  0.391013  1
  P  P37  1  0.975426  0.869226  0.423081  1
  P  P38  1  0.475426  0.869226  0.423081  1
  P  P39  1  0.967257  0.237731  0.386332  1
  P  P40  1  0.030802  0.575544  0.399551  1
  P  P41  1  0.467257  0.237731  0.386332  1
  P  P42  1  0.530802  0.575544  0.399551  1
  P  P43  1  0.937713  0.758406  0.424311  1
  P  P44  1  0.437713  0.758406  0.424311  1
  P  P45  1  0.070736  0.119103  0.377075  1
  P  P46  1  0.924838  0.451045  0.438438  1
  P  P47  1  0.570736  0.119103  0.377075  1
  P  P48  1  0.424838  0.451045  0.438438  1
  P  P49  1  0.249683  0.862954  0.375753  1
  P  P50  1  0.749683  0.862954  0.375753  1
  P  P51  1  0.252330  0.190286  0.448129  1
  P  P52  1  0.186295  0.572235  0.387868  1
  P  P53  1  0.752330  0.190286  0.448129  1
  P  P54  1  0.686295  0.572235  0.387868  1
  P  P55  1  0.058591  0.792560  0.440948  1
  P  P56  1  0.558591  0.792560  0.440948  1
  P  P57  1  0.190279  0.136121  0.420330  1
  P  P58  1  0.255436  0.469260  0.424364  1
  P  P59  1  0.690279  0.136121  0.420330  1
  P  P60  1  0.755436  0.469260  0.424364  1
  P  P61  1  0.136704  0.883650  0.424241  1
  P  P62  1  0.636704  0.883650  0.424241  1
  P  P63  1  0.128536  0.238907  0.412321  1
  P  P64  1  0.136113  0.525401  0.432059  1
  P  P65  1  0.628536  0.238907  0.412321  1
  P  P66  1  0.636113  0.525401  0.432059  1
  P  P67  1  0.061560  0.762518  0.376329  1
  P  P68  1  0.561560  0.762518  0.376329  1
  P  P69  1  0.225909  0.096153  0.358261  1
  P  P70  1  0.079554  0.465667  0.426201  1
  P  P71  1  0.725909  0.096153  0.358261  1
  P  P72  1  0.579554  0.465667  0.426201  1
  P  P73  1  0.128097  0.614628  0.447360  1
  P  P74  1  0.628098  0.614628  0.447360  1
  P  P75  1  0.213346  0.931806  0.398869  1
  P  P76  1  0.999968  0.266965  0.452778  1
  P  P77  1  0.713346  0.931807  0.398869  1
  P  P78  1  0.499968  0.266965  0.452778  1
  P  P79  1  0.094790  0.713594  0.425812  1
  P  P80  1  0.594790  0.713594  0.425812  1
  P  P81  1  0.190601  0.063805  0.417262  1
  P  P82  1  0.199018  0.423344  0.384632  1
  P  P83  1  0.690601  0.063805  0.417262  1
  P  P84  1  0.699018  0.423344  0.384632  1
  P  P85  1  0.846983  0.710505  0.401720  1
  P  P86  1  0.346983  0.710505  0.401720  1
  P  P87  1  0.948254  0.089051  0.354627  1
  P  P88  1  0.821768  0.402020  0.437671  1
  P  P89  1  0.448254  0.089051  0.354627  1
  P  P90  1  0.321768  0.402020  0.437671  1
  P  P91  1  0.863985  0.898919  0.371984  1
  P  P92  1  0.363985  0.898919  0.371984  1
  P  P93  1  0.733174  0.263325  0.456671  1
  P  P94  1  0.765521  0.619695  0.407591  1
  P  P95  1  0.233174  0.263325  0.456671  1
  P  P96  1  0.265521  0.619695  0.407591  1
  P  P97  1  0.750899  0.682764  0.444855  1
  P  P98  1  0.250899  0.682764  0.444855  1
  P  P99  1  0.857406  0.021834  0.443002  1
  P  P100  1  0.746015  0.333785  0.463345  1
  P  P101  1  0.357406  0.021834  0.443002  1
  P  P102  1  0.246015  0.333785  0.463345  1
  P  P103  1  0.829565  0.621113  0.472906  1
  P  P104  1  0.329565  0.621113  0.472906  1
  P  P105  1  0.776922  0.928972  0.518528  1
  P  P106  1  0.859072  0.276381  0.490470  1
  P  P107  1  0.276922  0.928972  0.518528  1
  P  P108  1  0.359072  0.276381  0.490470  1
  P  P109  1  0.751702  0.685734  0.516784  1
  P  P110  1  0.251702  0.685734  0.516784  1
  P  P111  1  0.880918  0.967094  0.490567  1
  P  P112  1  0.904091  0.337177  0.461229  1
  P  P113  1  0.380918  0.967094  0.490567  1
  P  P114  1  0.404091  0.337177  0.461229  1
  P  P115  1  0.723124  0.604070  0.511935  1
  P  P116  1  0.223124  0.604070  0.511935  1
  P  P117  1  0.919581  0.896380  0.486754  1
  P  P118  1  0.886679  0.222539  0.442655  1
  P  P119  1  0.419581  0.896380  0.486754  1
  P  P120  1  0.386679  0.222539  0.442655  1
  P  P121  1  0.102944  0.679743  0.491927  1
  P  P122  1  0.602944  0.679743  0.491927  1
  P  P123  1  0.098853  0.044102  0.473076  1
  P  P124  1  0.152425  0.400873  0.446020  1
  P  P125  1  0.598853  0.044102  0.473076  1
  P  P126  1  0.652425  0.400873  0.446020  1
  P  P127  1  0.257662  0.558363  0.453009  1
  P  P128  1  0.757662  0.558363  0.453009  1
  P  P129  1  0.040690  0.926603  0.514931  1
  P  P130  1  0.135273  0.226786  0.488693  1
  P  P131  1  0.540690  0.926603  0.514931  1
  P  P132  1  0.635273  0.226786  0.488693  1
  P  P133  1  0.731861  0.867419  0.493078  1
  P  P134  1  0.231861  0.867419  0.493078  1
  P  P135  1  0.826756  0.209708  0.507147  1
  P  P136  1  0.892423  0.564818  0.424721  1
  P  P137  1  0.326756  0.209708  0.507147  1
  P  P138  1  0.392423  0.564818  0.424721  1
  P  P139  1  0.825548  0.732731  0.472856  1
  P  P140  1  0.325548  0.732731  0.472856  1
  P  P141  1  0.936249  0.072921  0.468731  1
  P  P142  1  0.763815  0.391414  0.500031  1
  P  P143  1  0.436249  0.072921  0.468731  1
  P  P144  1  0.263815  0.391414  0.500031  1
  P  P145  1  0.075105  0.859240  0.480979  1
  P  P146  1  0.575105  0.859240  0.480979  1
  P  P147  1  0.936628  0.157536  0.467776  1
  P  P148  1  1.005797  0.518690  0.472380  1
  P  P149  1  0.436628  0.157536  0.467776  1
  P  P150  1  0.505797  0.518690  0.472380  1
  P  P151  1  0.870003  0.729151  0.543418  1
  P  P152  1  0.370003  0.729151  0.543418  1
  P  P153  1  0.038478  0.101407  0.513325  1
  P  P154  1  0.041725  0.444383  0.493102  1
  P  P155  1  0.538478  0.101407  0.513325  1
  P  P156  1  0.541725  0.444383  0.493102  1
  P  P157  1  0.925189  0.825663  0.473784  1
  P  P158  1  0.425189  0.825663  0.473784  1
  P  P159  1  0.049448  0.190057  0.433710  1
  P  P160  1  0.869656  0.556826  0.503946  1
  P  P161  1  0.549448  0.190057  0.433710  1
  P  P162  1  0.369656  0.556826  0.503946  1
  P  P163  1  0.979683  0.746371  0.492827  1
  P  P164  1  0.479683  0.746371  0.492827  1
  P  P165  1  0.065748  0.110801  0.445424  1
  P  P166  1  0.892699  0.423637  0.504259  1
  P  P167  1  0.565748  0.110801  0.445424  1
  P  P168  1  0.392699  0.423637  0.504259  1
  P  P169  1  0.986529  0.591981  0.467454  1
  P  P170  1  0.486529  0.591981  0.467454  1
  P  P171  1  1.009923  0.933738  0.446356  1
  P  P172  1  0.984583  0.220896  0.501492  1
  P  P173  1  0.509923  0.933738  0.446356  1
  P  P174  1  0.484583  0.220896  0.501492  1
  P  P175  1  0.909407  0.666336  0.501276  1
  P  P176  1  0.409407  0.666336  0.501276  1
  P  P177  1  1.007021  -0.002721  0.480999  1
  P  P178  1  1.000550  0.386195  0.456892  1
  P  P179  1  0.507021  -0.002721  0.480999  1
  P  P180  1  0.500550  0.386195  0.456892  1
  P  P181  1  0.652564  0.740634  0.480900  1
  P  P182  1  0.152564  0.740634  0.480900  1
  P  P183  1  0.754504  0.094650  0.475927  1
  P  P184  1  0.621473  0.370400  0.507709  1
  P  P185  1  0.254504  0.094650  0.475927  1
  P  P186  1  0.121473  0.370400  0.507709  1
  P  P187  1  0.661104  0.935835  0.470532  1
  P  P188  1  0.161104  0.935835  0.470532  1
  P  P189  1  0.603958  0.157590  0.491836  1
  P  P190  1  0.629601  0.558502  0.492413  1
  P  P191  1  0.103958  0.157590  0.491836  1
  P  P192  1  0.129601  0.558502  0.492413  1
  P  P193  1  0.560035  0.623270  0.515420  1
  P  P194  1  0.060035  0.623270  0.515420  1
  P  P195  1  0.728510  -0.004473  0.485327  1
  P  P196  1  0.556787  0.280294  0.535644  1
  P  P197  1  0.228510  -0.004473  0.485327  1
  P  P198  1  0.056787  0.280294  0.535644  1
  P  P199  1  0.661885  0.567141  0.560970  1
  P  P200  1  0.161885  0.567141  0.560970  1
  P  P201  1  0.523407  0.865437  0.547766  1
  P  P202  1  0.592715  0.205987  0.556365  1
  P  P203  1  0.023407  0.865437  0.547766  1
  P  P204  1  0.092715  0.205987  0.556365  1
  P  P205  1  0.532764  0.613876  0.583321  1
  P  P206  1  0.032764  0.613876  0.583321  1
  P  P207  1  0.618829  0.978306  0.535918  1
  P  P208  1  0.705813  0.301040  0.524486  1
  P  P209  1  0.118829  0.978306  0.535918  1
  P  P210  1  0.205813  0.301040  0.524486  1
  P  P211  1  0.549064  0.534620  0.595035  1
  P  P212  1  0.049064  0.534620  0.595035  1
  P  P213  1  0.673324  0.899014  0.554961  1
  P  P214  1  0.728857  0.167852  0.524799  1
  P  P215  1  0.173324  0.899014  0.554961  1
  P  P216  1  0.228857  0.167852  0.524799  1
  P  P217  1  0.844009  0.630027  0.552818  1
  P  P218  1  0.344009  0.630027  0.552818  1
  P  P219  1  0.945949  0.984043  0.547846  1
  P  P220  1  0.977040  0.354277  0.521036  1
  P  P221  1  0.445949  0.984043  0.547846  1
  P  P222  1  0.477040  0.354277  0.521036  1
  P  P223  1  0.994554  0.567087  0.536909  1
  P  P224  1  0.494554  0.567087  0.536909  1
  P  P225  1  0.937409  0.788842  0.558214  1
  P  P226  1  0.968911  0.166176  0.536332  1
  P  P227  1  0.437409  0.788842  0.558214  1
  P  P228  1  0.468911  0.166176  0.536332  1
  P  P229  1  0.588590  0.790940  0.582389  1
  P  P230  1  0.088590  0.790940  0.582389  1
  P  P231  1  0.611983  0.132696  0.561291  1
  P  P232  1  0.613930  0.503781  0.527253  1
  P  P233  1  0.111983  0.132696  0.561291  1
  P  P234  1  0.113930  0.503781  0.527253  1
  P  P235  1  0.591492  0.727398  0.547746  1
  P  P236  1  0.091492  0.727398  0.547746  1
  P  P237  1  0.689106  0.058342  0.527469  1
  P  P238  1  0.597962  0.338483  0.571853  1
  P  P239  1  0.189106  0.058342  0.527469  1
  P  P240  1  0.097962  0.338483  0.571853  1
  P  P241  1  0.821591  0.795705  0.510217  1
  P  P242  1  0.321591  0.795705  0.510217  1
  P  P243  1  0.768947  0.103564  0.555839  1
  P  P244  1  0.739440  0.448297  0.538275  1
  P  P245  1  0.268947  0.103564  0.555839  1
  P  P246  1  0.239440  0.448297  0.538275  1
  P  P247  1  0.741107  0.702844  0.585743  1
  P  P248  1  0.241107  0.702844  0.585743  1
  P  P249  1  0.847613  0.041913  0.583890  1
  P  P250  1  0.852497  0.390892  0.565400  1
  P  P251  1  0.347613  0.041913  0.583890  1
  P  P252  1  0.352497  0.390892  0.565400  1
  P  P253  1  0.678932  0.828297  0.541991  1
  P  P254  1  0.178932  0.828297  0.541991  1
  P  P255  1  0.875388  0.120607  0.516810  1
  P  P256  1  0.711833  0.502138  0.586091  1
  P  P257  1  0.375388  0.120607  0.516810  1
  P  P258  1  0.211833  0.502138  0.586091  1
  P  P259  1  0.717595  0.757583  0.538178  1
  P  P260  1  0.217595  0.757583  0.538178  1
  P  P261  1  0.846811  0.038943  0.511961  1
  P  P262  1  0.694422  0.387500  0.567516  1
  P  P263  1  0.346811  0.038943  0.511961  1
  P  P264  1  0.194422  0.387500  0.567516  1
  P  P265  1  0.771756  0.514969  0.521599  1
  P  P266  1  0.271756  0.514969  0.521599  1
  P  P267  1  0.866652  0.857259  0.535667  1
  P  P268  1  0.706090  0.159859  0.604025  1
  P  P269  1  0.366652  0.857259  0.535667  1
  P  P270  1  0.206090  0.159859  0.604025  1
  P  P271  1  0.662264  0.651757  0.560014  1
  P  P272  1  0.162264  0.651757  0.560014  1
  P  P273  1  0.772964  -0.008054  0.555889  1
  P  P274  1  0.834698  0.333263  0.528714  1
  P  P275  1  0.272964  -0.008054  0.555889  1
  P  P276  1  0.334698  0.333263  0.528714  1
  P  P277  1  0.499660  0.680575  0.555669  1
  P  P278  1  0.999660  0.680575  0.555669  1
  P  P279  1  0.495568  0.044935  0.536818  1
  P  P280  1  0.446088  0.323805  0.582725  1
  P  P281  1  0.995568  0.044935  0.536818  1
  P  P282  1  0.946088  0.323805  0.582725  1
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