# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   54.88894846
_cell_length_b   50.32108881
_cell_length_c   51.61294719
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.07396164
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P648
_cell_volume   140424.710548
_cell_formula_units_Z   648
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  0.030905  0.490217  0.412155  1
  P  P2  1  0.318971  0.478643  0.316917  1
  P  P3  1  0.674938  0.484430  0.364536  1
  P  P4  1  0.652304  0.145310  0.316917  1
  P  P5  1  0.008271  0.151097  0.364536  1
  P  P6  1  0.985638  0.811976  0.316917  1
  P  P7  1  0.364238  0.156884  0.412155  1
  P  P8  1  0.697571  0.823550  0.412155  1
  P  P9  1  0.341605  0.817763  0.364536  1
  P  P10  1  0.023182  0.611190  0.398229  1
  P  P11  1  0.310869  0.600414  0.302958  1
  P  P12  1  0.667215  0.605403  0.350610  1
  P  P13  1  0.644202  0.267080  0.302958  1
  P  P14  1  1.000548  0.272070  0.350610  1
  P  P15  1  0.977535  0.933747  0.302958  1
  P  P16  1  0.356515  0.277857  0.398229  1
  P  P17  1  0.689848  0.944524  0.398229  1
  P  P18  1  0.333881  0.938737  0.350610  1
  P  P19  1  0.969700  0.435999  0.318719  1
  P  P20  1  0.325643  0.441780  0.366369  1
  P  P21  1  0.681610  0.447567  0.413988  1
  P  P22  1  0.658976  0.108447  0.366369  1
  P  P23  1  0.014943  0.114234  0.413988  1
  P  P24  1  0.992310  0.775113  0.366369  1
  P  P25  1  0.303033  0.102665  0.318719  1
  P  P26  1  0.636366  0.769332  0.318719  1
  P  P27  1  0.348277  0.780900  0.413988  1
  P  P28  1  0.016510  0.648053  0.348777  1
  P  P29  1  0.372477  0.653840  0.396396  1
  P  P30  1  0.660543  0.642266  0.301158  1
  P  P31  1  0.705810  0.320507  0.396396  1
  P  P32  1  0.993876  0.308933  0.301158  1
  P  P33  1  0.039143  0.987174  0.396396  1
  P  P34  1  0.349843  0.314720  0.348777  1
  P  P35  1  0.683176  0.981387  0.348777  1
  P  P36  1  0.327209  0.975600  0.301158  1
  P  P37  1  0.080364  0.449429  0.420686  1
  P  P38  1  0.368430  0.437855  0.325448  1
  P  P39  1  0.724397  0.443642  0.373067  1
  P  P40  1  0.701763  0.104522  0.325448  1
  P  P41  1  0.057730  0.110309  0.373067  1
  P  P42  1  0.035096  0.771188  0.325448  1
  P  P43  1  0.413697  0.116096  0.420686  1
  P  P44  1  0.747030  0.782762  0.420686  1
  P  P45  1  0.391063  0.776975  0.373067  1
  P  P46  1  0.973723  0.651978  0.389698  1
  P  P47  1  0.262559  0.640258  0.294607  1
  P  P48  1  0.617756  0.646191  0.342079  1
  P  P49  1  0.595892  0.306925  0.294607  1
  P  P50  1  0.951089  0.312858  0.342079  1
  P  P51  1  0.929225  0.973591  0.294607  1
  P  P52  1  0.307056  0.318645  0.389698  1
  P  P53  1  0.640390  0.985312  0.389698  1
  P  P54  1  0.284423  0.979525  0.342079  1
  P  P55  1  0.031533  0.427947  0.406928  1
  P  P56  1  0.319599  0.416373  0.311690  1
  P  P57  1  0.675566  0.422160  0.359309  1
  P  P58  1  0.652932  0.083040  0.311690  1
  P  P59  1  0.008899  0.088827  0.359309  1
  P  P60  1  0.986266  0.749707  0.311690  1
  P  P61  1  0.364866  0.094614  0.406928  1
  P  P62  1  0.698200  0.761280  0.406928  1
  P  P63  1  0.342233  0.755494  0.359309  1
  P  P64  1  0.022554  0.673460  0.403457  1
  P  P65  1  0.310253  0.661241  0.308075  1
  P  P66  1  0.666587  0.667673  0.355838  1
  P  P67  1  0.643586  0.327908  0.308075  1
  P  P68  1  0.999920  0.334340  0.355838  1
  P  P69  1  0.976919  0.994574  0.308075  1
  P  P70  1  0.355887  0.340127  0.403457  1
  P  P71  1  0.689220  0.006794  0.403457  1
  P  P72  1  0.333253  1.001007  0.355838  1
  P  P73  1  0.152013  0.531954  0.408503  1
  P  P74  1  0.440079  0.520380  0.313265  1
  P  P75  1  0.796046  0.526167  0.360884  1
  P  P76  1  0.773413  0.187047  0.313265  1
  P  P77  1  0.129380  0.192834  0.360884  1
  P  P78  1  0.106746  0.853713  0.313265  1
  P  P79  1  0.485346  0.198621  0.408503  1
  P  P80  1  0.818680  0.865287  0.408503  1
  P  P81  1  0.462713  0.859500  0.360884  1
  P  P82  1  0.902073  0.569453  0.401881  1
  P  P83  1  0.190164  0.557870  0.306612  1
  P  P84  1  0.546106  0.563666  0.354262  1
  P  P85  1  0.523497  0.224536  0.306612  1
  P  P86  1  0.879440  0.230333  0.354262  1
  P  P87  1  0.856830  0.891203  0.306612  1
  P  P88  1  0.235407  0.236120  0.401881  1
  P  P89  1  0.568740  0.902787  0.401881  1
  P  P90  1  0.212773  0.897000  0.354262  1
  P  P91  1  0.041862  0.527058  0.306409  1
  P  P92  1  0.397062  0.533043  0.353874  1
  P  P93  1  0.753029  0.538830  0.401493  1
  P  P94  1  0.730395  0.199710  0.353874  1
  P  P95  1  0.086362  0.205497  0.401493  1
  P  P96  1  0.063729  0.866377  0.353874  1
  P  P97  1  0.375195  0.193724  0.306409  1
  P  P98  1  0.708529  0.860391  0.306409  1
  P  P99  1  0.419696  0.872164  0.401493  1
  P  P100  1  0.945091  0.556790  0.361272  1
  P  P101  1  0.301057  0.562577  0.408892  1
  P  P102  1  0.589124  0.551003  0.313653  1
  P  P103  1  0.634391  0.229244  0.408892  1
  P  P104  1  0.922457  0.217670  0.313653  1
  P  P105  1  0.967724  0.895910  0.408892  1
  P  P106  1  0.278424  0.223457  0.361272  1
  P  P107  1  0.611757  0.890124  0.361272  1
  P  P108  1  0.255790  0.884337  0.313653  1
  P  P109  1  0.087646  0.484786  0.318771  1
  P  P110  1  0.443937  0.489767  0.366502  1
  P  P111  1  0.799904  0.495554  0.414121  1
  P  P112  1  0.777270  0.156433  0.366502  1
  P  P113  1  0.133237  0.162220  0.414121  1
  P  P114  1  0.110604  0.823100  0.366502  1
  P  P115  1  0.420979  0.151452  0.318771  1
  P  P116  1  0.754313  0.818119  0.318771  1
  P  P117  1  0.466571  0.828887  0.414121  1
  P  P118  1  0.898216  0.600067  0.348644  1
  P  P119  1  0.254183  0.605854  0.396263  1
  P  P120  1  0.542249  0.594280  0.301025  1
  P  P121  1  0.587516  0.272520  0.396263  1
  P  P122  1  0.875582  0.260946  0.301025  1
  P  P123  1  0.920849  0.939187  0.396263  1
  P  P124  1  0.231549  0.266733  0.348644  1
  P  P125  1  0.564882  0.933400  0.348644  1
  P  P126  1  0.208915  0.927613  0.301025  1
  P  P127  1  0.091664  0.544789  0.316930  1
  P  P128  1  0.448049  0.551193  0.364622  1
  P  P129  1  0.804016  0.556980  0.412241  1
  P  P130  1  0.781383  0.217860  0.364622  1
  P  P131  1  0.137350  0.223647  0.412241  1
  P  P132  1  0.114716  0.884527  0.364622  1
  P  P133  1  0.424997  0.211456  0.316930  1
  P  P134  1  0.758330  0.878123  0.316930  1
  P  P135  1  0.470683  0.890314  0.412241  1
  P  P136  1  0.894103  0.538640  0.350525  1
  P  P137  1  0.250070  0.544427  0.398144  1
  P  P138  1  0.538136  0.532853  0.302906  1
  P  P139  1  0.583404  0.211094  0.398144  1
  P  P140  1  0.871470  0.199520  0.302906  1
  P  P141  1  0.916737  0.877760  0.398144  1
  P  P142  1  0.227437  0.205307  0.350525  1
  P  P143  1  0.560770  0.871974  0.350525  1
  P  P144  1  0.204803  0.866187  0.302906  1
  P  P145  1  0.868602  0.382481  0.294409  1
  P  P146  1  0.224899  0.387628  0.341532  1
  P  P147  1  0.580866  0.393415  0.389151  1
  P  P148  1  0.558232  0.054295  0.341532  1
  P  P149  1  0.914199  0.060082  0.389151  1
  P  P150  1  0.891566  0.720962  0.341532  1
  P  P151  1  0.201935  0.049147  0.294409  1
  P  P152  1  0.535269  0.715814  0.294409  1
  P  P153  1  0.247532  0.726749  0.389151  1
  P  P154  1  0.117254  0.702205  0.373614  1
  P  P155  1  0.473221  0.707992  0.421233  1
  P  P156  1  0.761691  0.695640  0.325903  1
  P  P157  1  0.806554  0.374659  0.421233  1
  P  P158  1  0.095025  0.362306  0.325903  1
  P  P159  1  0.139887  0.041325  0.421233  1
  P  P160  1  0.450587  0.368872  0.373614  1
  P  P161  1  0.783920  0.035538  0.373614  1
  P  P162  1  0.428358  0.028973  0.325903  1
  P  P163  1  0.871963  0.420018  0.340594  1
  P  P164  1  0.228350  0.426103  0.388772  1
  P  P165  1  0.516366  0.414518  0.293506  1
  P  P166  1  0.561684  0.092770  0.388772  1
  P  P167  1  0.849700  0.081185  0.293506  1
  P  P168  1  0.895017  0.759437  0.388772  1
  P  P169  1  0.205296  0.086684  0.340594  1
  P  P170  1  0.538630  0.753351  0.340594  1
  P  P171  1  0.183033  0.747851  0.293506  1
  P  P172  1  0.113802  0.663730  0.326375  1
  P  P173  1  0.469769  0.669517  0.373994  1
  P  P174  1  0.825736  0.675304  0.421613  1
  P  P175  1  0.803103  0.336184  0.373994  1
  P  P176  1  0.159069  0.341971  0.421613  1
  P  P177  1  0.136436  0.002851  0.373994  1
  P  P178  1  0.447136  0.330397  0.326375  1
  P  P179  1  0.780469  0.997064  0.326375  1
  P  P180  1  0.492403  0.008637  0.421613  1
  P  P181  1  0.822008  0.419460  0.314181  1
  P  P182  1  0.177204  0.425504  0.361756  1
  P  P183  1  0.533171  0.431291  0.409375  1
  P  P184  1  0.510538  0.092171  0.361756  1
  P  P185  1  0.866505  0.097958  0.409375  1
  P  P186  1  0.843871  0.758838  0.361756  1
  P  P187  1  0.155341  0.086127  0.314181  1
  P  P188  1  0.488674  0.752794  0.314181  1
  P  P189  1  0.199838  0.764625  0.409375  1
  P  P190  1  0.164948  0.664329  0.353390  1
  P  P191  1  0.520915  0.670116  0.401009  1
  P  P192  1  0.808265  0.658637  0.306113  1
  P  P193  1  0.854248  0.336783  0.401009  1
  P  P194  1  0.141598  0.325304  0.306113  1
  P  P195  1  0.187582  0.003449  0.401009  1
  P  P196  1  0.498282  0.330996  0.353390  1
  P  P197  1  0.831615  0.997662  0.353390  1
  P  P198  1  0.474931  0.991970  0.306113  1
  P  P199  1  0.930371  0.461780  0.428138  1
  P  P200  1  0.218437  0.450206  0.332900  1
  P  P201  1  0.574404  0.455993  0.380519  1
  P  P202  1  0.551771  0.116873  0.332900  1
  P  P203  1  0.907738  0.122660  0.380519  1
  P  P204  1  0.885104  0.783540  0.332900  1
  P  P205  1  0.263704  0.128447  0.428138  1
  P  P206  1  0.597038  0.795114  0.428138  1
  P  P207  1  0.241071  0.789327  0.380519  1
  P  P208  1  0.123715  0.639627  0.382247  1
  P  P209  1  0.411801  0.628137  0.286988  1
  P  P210  1  0.768010  0.634512  0.334349  1
  P  P211  1  0.745134  0.294804  0.286988  1
  P  P212  1  0.101344  0.301179  0.334349  1
  P  P213  1  0.078468  0.961470  0.286988  1
  P  P214  1  0.457049  0.306294  0.382247  1
  P  P215  1  0.790382  0.972960  0.382247  1
  P  P216  1  0.434677  0.967846  0.334349  1
  P  P217  1  0.098805  0.507578  0.555012  1
  P  P218  1  0.386872  0.496004  0.459774  1
  P  P219  1  0.742839  0.501791  0.507393  1
  P  P220  1  0.720205  0.162671  0.459774  1
  P  P221  1  0.076172  0.168458  0.507393  1
  P  P222  1  0.053538  0.829337  0.459774  1
  P  P223  1  0.432139  0.174245  0.555012  1
  P  P224  1  0.765472  0.840911  0.555012  1
  P  P225  1  0.409505  0.835124  0.507393  1
  P  P226  1  0.091082  0.628551  0.541086  1
  P  P227  1  0.379149  0.616977  0.445848  1
  P  P228  1  0.735115  0.622764  0.493467  1
  P  P229  1  0.712482  0.283644  0.445848  1
  P  P230  1  0.068449  0.289431  0.493467  1
  P  P231  1  0.045815  0.950311  0.445848  1
  P  P232  1  0.424416  0.295218  0.541086  1
  P  P233  1  0.757749  0.961885  0.541086  1
  P  P234  1  0.401782  0.956098  0.493467  1
  P  P235  1  0.037577  0.453354  0.461607  1
  P  P236  1  0.393544  0.459141  0.509226  1
  P  P237  1  0.749511  0.464928  0.556845  1
  P  P238  1  0.726877  0.125808  0.509226  1
  P  P239  1  0.082844  0.131595  0.556845  1
  P  P240  1  0.060210  0.792474  0.509226  1
  P  P241  1  0.370910  0.120021  0.461607  1
  P  P242  1  0.704243  0.786687  0.461607  1
  P  P243  1  0.416177  0.798261  0.556845  1
  P  P244  1  0.084410  0.665414  0.491634  1
  P  P245  1  0.440377  0.671201  0.539253  1
  P  P246  1  0.728443  0.659627  0.444015  1
  P  P247  1  0.773711  0.337868  0.539253  1
  P  P248  1  0.061777  0.326294  0.444015  1
  P  P249  1  0.107044  0.004535  0.539253  1
  P  P250  1  0.417744  0.332081  0.491634  1
  P  P251  1  0.751077  0.998748  0.491634  1
  P  P252  1  0.395110  0.992961  0.444015  1
  P  P253  1  0.148264  0.466790  0.563543  1
  P  P254  1  0.436330  0.455216  0.468305  1
  P  P255  1  0.792297  0.461003  0.515924  1
  P  P256  1  0.769664  0.121883  0.468305  1
  P  P257  1  0.125631  0.127670  0.515924  1
  P  P258  1  0.102997  0.788549  0.468305  1
  P  P259  1  0.481598  0.133457  0.563543  1
  P  P260  1  0.814931  0.800123  0.563543  1
  P  P261  1  0.458964  0.794336  0.515924  1
  P  P262  1  0.041624  0.669339  0.532556  1
  P  P263  1  0.329690  0.657765  0.437318  1
  P  P264  1  0.685657  0.663552  0.484937  1
  P  P265  1  0.663023  0.324432  0.437318  1
  P  P266  1  0.018990  0.330219  0.484937  1
  P  P267  1  0.996356  0.991099  0.437318  1
  P  P268  1  0.374957  0.336006  0.532556  1
  P  P269  1  0.708290  0.002673  0.532556  1
  P  P270  1  0.352323  0.996886  0.484937  1
  P  P271  1  0.099434  0.445308  0.549785  1
  P  P272  1  0.387500  0.433734  0.454547  1
  P  P273  1  0.743467  0.439521  0.502166  1
  P  P274  1  0.720833  0.100401  0.454547  1
  P  P275  1  0.076800  0.106188  0.502166  1
  P  P276  1  0.054166  0.767067  0.454547  1
  P  P277  1  0.432767  0.111975  0.549785  1
  P  P278  1  0.766100  0.778641  0.549785  1
  P  P279  1  0.410133  0.772854  0.502166  1
  P  P280  1  0.090454  0.690821  0.546314  1
  P  P281  1  0.378520  0.679247  0.451076  1
  P  P282  1  0.734487  0.685034  0.498695  1
  P  P283  1  0.711854  0.345914  0.451076  1
  P  P284  1  0.067821  0.351701  0.498695  1
  P  P285  1  0.045187  0.012580  0.451076  1
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