# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   33.85149820
_cell_length_b   35.57604704
_cell_length_c   48.65325097
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.44943011
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P1008
_cell_volume   58571.7764054
_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  0.758290  0.648557  0.272686  1
  P  P2  1  0.258290  0.648557  0.272686  1
  P  P3  1  0.417987  0.657870  0.291834  1
  P  P4  1  0.591623  0.315223  0.272686  1
  P  P5  1  0.578225  0.669836  0.313333  1
  P  P6  1  0.751320  0.324536  0.291834  1
  P  P7  1  0.917987  0.657870  0.291834  1
  P  P8  1  0.091623  0.315223  0.272686  1
  P  P9  1  0.078225  0.669836  0.313333  1
  P  P10  1  0.251320  0.324536  0.291834  1
  P  P11  1  0.424957  0.981890  0.272686  1
  P  P12  1  0.411558  0.336503  0.313333  1
  P  P13  1  0.584654  0.991203  0.291834  1
  P  P14  1  0.744892  1.003169  0.313333  1
  P  P15  1  0.924957  0.981890  0.272686  1
  P  P16  1  0.911558  0.336503  0.313333  1
  P  P17  1  0.084654  0.991203  0.291834  1
  P  P18  1  0.244892  1.003169  0.313333  1
  P  P19  1  0.787746  0.916248  0.306921  1
  P  P20  1  0.287746  0.916248  0.306921  1
  P  P21  1  0.447815  0.928461  0.327745  1
  P  P22  1  0.621079  0.582915  0.306921  1
  P  P23  1  0.629001  0.904976  0.286505  1
  P  P24  1  0.781148  0.595127  0.327745  1
  P  P25  1  0.947815  0.928461  0.327745  1
  P  P26  1  0.121079  0.582915  0.306921  1
  P  P27  1  0.129001  0.904976  0.286505  1
  P  P28  1  0.281148  0.595127  0.327745  1
  P  P29  1  0.454412  0.249581  0.306921  1
  P  P30  1  0.462335  0.571643  0.286505  1
  P  P31  1  0.614481  0.261794  0.327745  1
  P  P32  1  0.795668  0.238309  0.286505  1
  P  P33  1  0.954412  0.249581  0.306921  1
  P  P34  1  0.962335  0.571643  0.286505  1
  P  P35  1  0.114481  0.261794  0.327745  1
  P  P36  1  0.295668  0.238309  0.286505  1
  P  P37  1  0.831755  0.830270  0.302043  1
  P  P38  1  0.331755  0.830270  0.302043  1
  P  P39  1  0.491657  0.841862  0.323366  1
  P  P40  1  0.665088  0.496937  0.302043  1
  P  P41  1  0.672862  0.819197  0.282283  1
  P  P42  1  0.824990  0.508529  0.323366  1
  P  P43  1  0.991657  0.841862  0.323366  1
  P  P44  1  0.165088  0.496937  0.302043  1
  P  P45  1  0.172862  0.819197  0.282283  1
  P  P46  1  0.324990  0.508529  0.323366  1
  P  P47  1  0.498421  0.163604  0.302043  1
  P  P48  1  0.506195  0.485864  0.282283  1
  P  P49  1  0.658324  0.175195  0.323366  1
  P  P50  1  0.839528  0.152531  0.282283  1
  P  P51  1  0.998421  0.163604  0.302043  1
  P  P52  1  0.006195  0.485864  0.282283  1
  P  P53  1  0.158324  0.175195  0.323366  1
  P  P54  1  0.339528  0.152531  0.282283  1
  P  P55  1  0.875113  0.744352  0.297020  1
  P  P56  1  0.375113  0.744352  0.297020  1
  P  P57  1  0.534958  0.755729  0.318295  1
  P  P58  1  0.708446  0.411019  0.297020  1
  P  P59  1  0.715806  0.733405  0.277348  1
  P  P60  1  0.868292  0.422395  0.318295  1
  P  P61  1  0.034958  0.755729  0.318295  1
  P  P62  1  0.208446  0.411019  0.297020  1
  P  P63  1  0.215806  0.733405  0.277348  1
  P  P64  1  0.368292  0.422395  0.318295  1
  P  P65  1  0.541779  1.077686  0.297020  1
  P  P66  1  0.549139  0.400072  0.277348  1
  P  P67  1  0.701625  1.089062  0.318295  1
  P  P68  1  0.882473  1.066739  0.277348  1
  P  P69  1  0.041779  1.077686  0.297020  1
  P  P70  1  0.049139  0.400072  0.277348  1
  P  P71  1  0.201625  1.089062  0.318295  1
  P  P72  1  0.382473  1.066739  0.277348  1
  P  P73  1  0.741657  0.841862  0.323366  1
  P  P74  1  0.241657  0.841862  0.323366  1
  P  P75  1  0.422862  0.819197  0.282283  1
  P  P76  1  0.574990  0.508529  0.323366  1
  P  P77  1  0.581755  0.830270  0.302043  1
  P  P78  1  0.756195  0.485864  0.282283  1
  P  P79  1  0.922862  0.819197  0.282283  1
  P  P80  1  0.074990  0.508529  0.323366  1
  P  P81  1  0.081755  0.830270  0.302043  1
  P  P82  1  0.256195  0.485864  0.282283  1
  P  P83  1  0.408324  0.175195  0.323366  1
  P  P84  1  0.415088  0.496937  0.302043  1
  P  P85  1  0.589528  0.152531  0.282283  1
  P  P86  1  0.748421  0.163604  0.302043  1
  P  P87  1  0.908324  0.175195  0.323366  1
  P  P88  1  0.915088  0.496937  0.302043  1
  P  P89  1  0.089528  0.152531  0.282283  1
  P  P90  1  0.248421  0.163604  0.302043  1
  P  P91  1  0.784958  0.755729  0.318295  1
  P  P92  1  0.284958  0.755729  0.318295  1
  P  P93  1  0.465806  0.733405  0.277348  1
  P  P94  1  0.618292  0.422395  0.318295  1
  P  P95  1  0.625113  0.744352  0.297020  1
  P  P96  1  0.799139  0.400072  0.277348  1
  P  P97  1  0.965806  0.733405  0.277348  1
  P  P98  1  0.118292  0.422395  0.318295  1
  P  P99  1  0.125113  0.744352  0.297020  1
  P  P100  1  0.299139  0.400072  0.277348  1
  P  P101  1  0.451625  1.089062  0.318295  1
  P  P102  1  0.458446  0.411019  0.297020  1
  P  P103  1  0.632473  1.066739  0.277348  1
  P  P104  1  0.791779  1.077686  0.297020  1
  P  P105  1  0.951625  1.089062  0.318295  1
  P  P106  1  0.958446  0.411019  0.297020  1
  P  P107  1  0.132473  1.066739  0.277348  1
  P  P108  1  0.291779  1.077686  0.297020  1
  P  P109  1  0.828225  0.669836  0.313333  1
  P  P110  1  0.328225  0.669836  0.313333  1
  P  P111  1  0.508290  0.648557  0.272686  1
  P  P112  1  0.661558  0.336503  0.313333  1
  P  P113  1  0.667987  0.657870  0.291834  1
  P  P114  1  0.841623  0.315223  0.272686  1
  P  P115  1  0.008290  0.648557  0.272686  1
  P  P116  1  0.161558  0.336503  0.313333  1
  P  P117  1  0.167987  0.657870  0.291834  1
  P  P118  1  0.341623  0.315223  0.272686  1
  P  P119  1  0.494892  1.003169  0.313333  1
  P  P120  1  0.501320  0.324536  0.291834  1
  P  P121  1  0.674957  0.981890  0.272686  1
  P  P122  1  0.834654  0.991203  0.291834  1
  P  P123  1  0.994892  1.003169  0.313333  1
  P  P124  1  1.001320  0.324536  0.291834  1
  P  P125  1  0.174957  0.981890  0.272686  1
  P  P126  1  0.334654  0.991203  0.291834  1
  P  P127  1  0.879001  0.904976  0.286505  1
  P  P128  1  0.379001  0.904976  0.286505  1
  P  P129  1  0.537746  0.916248  0.306921  1
  P  P130  1  0.712335  0.571643  0.286505  1
  P  P131  1  0.697815  0.928461  0.327745  1
  P  P132  1  0.871079  0.582915  0.306921  1
  P  P133  1  0.037746  0.916248  0.306921  1
  P  P134  1  0.212335  0.571643  0.286505  1
  P  P135  1  0.197815  0.928461  0.327745  1
  P  P136  1  0.371079  0.582915  0.306921  1
  P  P137  1  0.545668  0.238309  0.286505  1
  P  P138  1  0.531148  0.595127  0.327745  1
  P  P139  1  0.704412  0.249581  0.306921  1
  P  P140  1  0.864481  0.261794  0.327745  1
  P  P141  1  0.045668  0.238309  0.286505  1
  P  P142  1  0.031148  0.595127  0.327745  1
  P  P143  1  0.204412  0.249581  0.306921  1
  P  P144  1  0.364481  0.261794  0.327745  1
  P  P145  1  0.737420  0.681818  0.333670  1
  P  P146  1  0.237420  0.681818  0.333670  1
  P  P147  1  0.397436  0.693852  0.354186  1
  P  P148  1  0.570753  0.348485  0.333670  1
  P  P149  1  0.557274  0.705657  0.375317  1
  P  P150  1  0.730769  0.360519  0.354186  1
  P  P151  1  0.897436  0.693852  0.354186  1
  P  P152  1  0.070753  0.348485  0.333670  1
  P  P153  1  0.057274  0.705657  0.375317  1
  P  P154  1  0.230769  0.360519  0.354186  1
  P  P155  1  0.404086  1.015152  0.333670  1
  P  P156  1  0.390608  0.372324  0.375317  1
  P  P157  1  0.564103  1.027186  0.354186  1
  P  P158  1  0.723941  1.038990  0.375317  1
  P  P159  1  0.904086  1.015152  0.333670  1
  P  P160  1  0.890608  0.372324  0.375317  1
  P  P161  1  0.064103  1.027186  0.354186  1
  P  P162  1  0.223941  1.038990  0.375317  1
  P  P163  1  0.767395  0.952357  0.369427  1
  P  P164  1  0.267395  0.952357  0.369427  1
  P  P165  1  0.427080  0.964414  0.390253  1
  P  P166  1  0.600728  0.619024  0.369427  1
  P  P167  1  0.607383  0.940526  0.348183  1
  P  P168  1  0.760413  0.631081  0.390253  1
  P  P169  1  0.927080  0.964414  0.390253  1
  P  P170  1  0.100728  0.619024  0.369427  1
  P  P171  1  0.107383  0.940526  0.348183  1
  P  P172  1  0.260413  0.631081  0.390253  1
  P  P173  1  0.434062  0.285690  0.369427  1
  P  P174  1  0.440717  0.607193  0.348183  1
  P  P175  1  0.593747  0.297748  0.390253  1
  P  P176  1  0.774050  0.273859  0.348183  1
  P  P177  1  0.934062  0.285690  0.369427  1
  P  P178  1  0.940717  0.607193  0.348183  1
  P  P179  1  0.093747  0.297748  0.390253  1
  P  P180  1  0.274050  0.273859  0.348183  1
  P  P181  1  0.810797  0.866305  0.364300  1
  P  P182  1  0.310797  0.866305  0.364300  1
  P  P183  1  0.470506  0.878232  0.385274  1
  P  P184  1  0.644130  0.532972  0.364300  1
  P  P185  1  0.650889  0.854342  0.343557  1
  P  P186  1  0.803840  0.544898  0.385274  1
  P  P187  1  0.970506  0.878232  0.385274  1
  P  P188  1  0.144130  0.532972  0.364300  1
  P  P189  1  0.150889  0.854342  0.343557  1
  P  P190  1  0.303840  0.544898  0.385274  1
  P  P191  1  0.477463  0.199638  0.364300  1
  P  P192  1  0.484222  0.521008  0.343557  1
  P  P193  1  0.637173  0.211565  0.385274  1
  P  P194  1  0.817556  0.187675  0.343557  1
  P  P195  1  0.977463  0.199638  0.364300  1
  P  P196  1  0.984222  0.521008  0.343557  1
  P  P197  1  0.137173  0.211565  0.385274  1
  P  P198  1  0.317556  0.187675  0.343557  1
  P  P199  1  0.854089  0.780101  0.359306  1
  P  P200  1  0.354089  0.780101  0.359306  1
  P  P201  1  0.513956  0.791961  0.380432  1
  P  P202  1  0.687422  0.446768  0.359306  1
  P  P203  1  0.694232  0.768122  0.338739  1
  P  P204  1  0.847289  0.458627  0.380432  1
  P  P205  1  0.013956  0.791961  0.380432  1
  P  P206  1  0.187422  0.446768  0.359306  1
  P  P207  1  0.194232  0.768122  0.338739  1
  P  P208  1  0.347289  0.458627  0.380432  1
  P  P209  1  0.520756  1.113434  0.359306  1
  P  P210  1  0.527565  0.434789  0.338739  1
  P  P211  1  0.680622  1.125294  0.380432  1
  P  P212  1  0.860898  1.101456  0.338739  1
  P  P213  1  0.020756  1.113434  0.359306  1
  P  P214  1  0.027565  0.434789  0.338739  1
  P  P215  1  0.180622  1.125294  0.380432  1
  P  P216  1  0.360898  1.101456  0.338739  1
  P  P217  1  0.720506  0.878232  0.385274  1
  P  P218  1  0.220506  0.878232  0.385274  1
  P  P219  1  0.400889  0.854342  0.343557  1
  P  P220  1  0.553840  0.544898  0.385274  1
  P  P221  1  0.560797  0.866305  0.364300  1
  P  P222  1  0.734222  0.521008  0.343557  1
  P  P223  1  0.900889  0.854342  0.343557  1
  P  P224  1  0.053840  0.544898  0.385274  1
  P  P225  1  0.060797  0.866305  0.364300  1
  P  P226  1  0.234222  0.521008  0.343557  1
  P  P227  1  0.387173  0.211565  0.385274  1
  P  P228  1  0.394130  0.532972  0.364300  1
  P  P229  1  0.567556  0.187675  0.343557  1
  P  P230  1  0.727463  0.199638  0.364300  1
  P  P231  1  0.887173  0.211565  0.385274  1
  P  P232  1  0.894130  0.532972  0.364300  1
  P  P233  1  0.067556  0.187675  0.343557  1
  P  P234  1  0.227463  0.199638  0.364300  1
  P  P235  1  0.763956  0.791961  0.380432  1
  P  P236  1  0.263956  0.791961  0.380432  1
  P  P237  1  0.444232  0.768122  0.338739  1
  P  P238  1  0.597289  0.458627  0.380432  1
  P  P239  1  0.604089  0.780101  0.359306  1
  P  P240  1  0.777565  0.434789  0.338739  1
  P  P241  1  0.944232  0.768122  0.338739  1
  P  P242  1  0.097289  0.458627  0.380432  1
  P  P243  1  0.104089  0.780101  0.359306  1
  P  P244  1  0.277565  0.434789  0.338739  1
  P  P245  1  0.430622  1.125294  0.380432  1
  P  P246  1  0.437422  0.446768  0.359306  1
  P  P247  1  0.610898  1.101456  0.338739  1
  P  P248  1  0.770756  1.113434  0.359306  1
  P  P249  1  0.930622  1.125294  0.380432  1
  P  P250  1  0.937422  0.446768  0.359306  1
  P  P251  1  0.110898  1.101456  0.338739  1
  P  P252  1  0.270756  1.113434  0.359306  1
  P  P253  1  0.807274  0.705657  0.375317  1
  P  P254  1  0.307274  0.705657  0.375317  1
  P  P255  1  0.487420  0.681818  0.333670  1
  P  P256  1  0.640608  0.372324  0.375317  1
  P  P257  1  0.647436  0.693852  0.354186  1
  P  P258  1  0.820753  0.348485  0.333670  1
  P  P259  1  0.987420  0.681818  0.333670  1
  P  P260  1  0.140608  0.372324  0.375317  1
  P  P261  1  0.147436  0.693852  0.354186  1
  P  P262  1  0.320753  0.348485  0.333670  1
  P  P263  1  0.473941  1.038990  0.375317  1
  P  P264  1  0.480769  0.360519  0.354186  1
  P  P265  1  0.654086  1.015152  0.333670  1
  P  P266  1  0.814103  1.027186  0.354186  1
  P  P267  1  0.973941  1.038990  0.375317  1
  P  P268  1  0.980769  0.360519  0.354186  1
  P  P269  1  0.154086  1.015152  0.333670  1
  P  P270  1  0.314103  1.027186  0.354186  1
  P  P271  1  0.857383  0.940526  0.348183  1
  P  P272  1  0.357383  0.940526  0.348183  1
  P  P273  1  0.517395  0.952357  0.369427  1
  P  P274  1  0.690717  0.607193  0.348183  1
  P  P275  1  0.677080  0.964414  0.390253  1
  P  P276  1  0.850728  0.619024  0.369427  1
  P  P277  1  0.017395  0.952357  0.369427  1
  P  P278  1  0.190717  0.607193  0.348183  1
  P  P279  1  0.177080  0.964414  0.390253  1
  P  P280  1  0.350728  0.619024  0.369427  1
  P  P281  1  0.524050  0.273859  0.348183  1
  P  P282  1  0.510413  0.631081  0.390253  1
  P  P283  1  0.684062  0.285690  0.369427  1
  P  P284  1  0.843747  0.297748  0.390253  1
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