# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.93889537
_cell_length_b   82.52486544
_cell_length_c   56.03807609
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.25968741
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P672
_cell_volume   59831.3757406
_cell_formula_units_Z   672
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  0.649566  0.026218  0.273049  1
  P  P2  1  0.968362  0.526709  0.329183  1
  P  P3  1  0.898167  0.020967  0.287240  1
  P  P4  1  0.215965  0.521589  0.344072  1
  P  P5  1  0.696701  0.333054  0.335193  1
  P  P6  1  0.379926  0.810555  0.264670  1
  P  P7  1  0.327854  0.245157  0.319075  1
  P  P8  1  0.636163  0.746442  0.376486  1
  P  P9  1  0.828272  0.244849  0.319451  1
  P  P10  1  0.135850  0.746250  0.376606  1
  P  P11  1  0.217014  0.026446  0.329022  1
  P  P12  1  0.898255  0.526871  0.273433  1
  P  P13  1  0.454907  0.214048  0.296101  1
  P  P14  1  0.763804  0.715638  0.352266  1
  P  P15  1  0.196570  0.337834  0.392590  1
  P  P16  1  0.879426  0.811133  0.264893  1
  P  P17  1  0.327778  0.210723  0.347995  1
  P  P18  1  0.014383  0.710200  0.295405  1
  P  P19  1  0.578492  0.209008  0.346509  1
  P  P20  1  0.264673  0.710194  0.295222  1
  P  P21  1  0.952133  0.240680  0.370839  1
  P  P22  1  0.636746  0.741847  0.317552  1
  P  P23  1  0.765842  0.465957  0.341717  1
  P  P24  1  0.445633  0.966458  0.285849  1
  P  P25  1  0.661575  0.080758  0.330479  1
  P  P26  1  0.354747  0.577611  0.273770  1
  P  P27  1  0.622852  0.436547  0.320454  1
  P  P28  1  0.947600  0.936153  0.376819  1
  P  P29  1  0.174521  0.080930  0.329921  1
  P  P30  1  0.847392  0.577405  0.274158  1
  P  P31  1  0.425263  0.180234  0.324006  1
  P  P32  1  0.769776  0.680672  0.380076  1
  P  P33  1  0.453299  0.240878  0.371268  1
  P  P34  1  0.136905  0.741542  0.318090  1
  P  P35  1  0.822666  0.307095  0.368378  1
  P  P36  1  0.504512  0.808057  0.315405  1
  P  P37  1  0.967138  0.021306  0.343732  1
  P  P38  1  0.646424  0.520596  0.286871  1
  P  P39  1  0.400119  0.496620  0.363791  1
  P  P40  1  0.080776  0.995817  0.306661  1
  P  P41  1  0.601366  0.051682  0.366032  1
  P  P42  1  0.280782  0.551294  0.309681  1
  P  P43  1  0.147545  0.026342  0.273540  1
  P  P44  1  0.467698  0.526972  0.329056  1
  P  P45  1  0.573704  0.302838  0.310344  1
  P  P46  1  0.881206  0.804306  0.366682  1
  P  P47  1  0.705518  0.214203  0.296482  1
  P  P48  1  0.013189  0.715187  0.352619  1
  P  P49  1  0.445583  0.333102  0.335074  1
  P  P50  1  0.129584  0.810689  0.264652  1
  P  P51  1  0.823488  0.302697  0.310162  1
  P  P52  1  0.131372  0.804249  0.366734  1
  P  P53  1  0.703586  0.436170  0.376292  1
  P  P54  1  0.388559  0.936745  0.319646  1
  P  P55  1  0.946240  0.333299  0.334738  1
  P  P56  1  0.629744  0.812118  0.265527  1
  P  P57  1  0.079859  0.491240  0.321701  1
  P  P58  1  0.399241  0.990797  0.379379  1
  P  P59  1  0.014232  0.460962  0.356847  1
  P  P60  1  0.693881  0.960501  0.300772  1
  P  P61  1  0.079244  0.244740  0.319263  1
  P  P62  1  0.385967  0.746200  0.376650  1
  P  P63  1  0.700404  0.276070  0.343952  1
  P  P64  1  0.383377  0.776614  0.291362  1
  P  P65  1  0.195583  0.435977  0.376529  1
  P  P66  1  0.873382  0.936047  0.320854  1
  P  P67  1  0.032217  0.051408  0.308857  1
  P  P68  1  0.351759  0.552337  0.366174  1
  P  P69  1  0.207088  0.212904  0.297518  1
  P  P70  1  0.514583  0.715321  0.352623  1
  P  P71  1  0.077557  0.209414  0.347077  1
  P  P72  1  0.764485  0.710153  0.295370  1
  P  P73  1  0.323292  0.307315  0.368382  1
  P  P74  1  0.005905  0.807984  0.315189  1
  P  P75  1  0.702449  0.240445  0.370860  1
  P  P76  1  0.386805  0.741483  0.318071  1
  P  P77  1  0.579493  0.490895  0.321940  1
  P  P78  1  0.900557  0.990986  0.378946  1
  P  P79  1  0.851821  0.057046  0.350346  1
  P  P80  1  0.538953  0.556390  0.294039  1
  P  P81  1  0.200579  0.276255  0.343740  1
  P  P82  1  0.883395  0.777043  0.291295  1
  P  P83  1  0.465151  0.020625  0.344091  1
  P  P84  1  0.147487  0.521219  0.286968  1
  P  P85  1  0.195421  0.333349  0.334730  1
  P  P86  1  0.624445  0.837939  0.340704  1
  P  P87  1  0.573013  0.307305  0.368501  1
  P  P88  1  0.255045  0.807796  0.315117  1
  P  P89  1  0.900271  0.496467  0.363719  1
  P  P90  1  0.582786  0.996261  0.306752  1
  P  P91  1  0.947168  0.460998  0.300627  1
  P  P92  1  0.264523  0.960199  0.357102  1
  P  P93  1  0.718929  0.026333  0.329215  1
  P  P94  1  0.397386  0.527469  0.273205  1
  P  P95  1  0.700985  0.271701  0.286643  1
  P  P96  1  0.009332  0.772947  0.342468  1
  P  P97  1  0.134672  0.436883  0.319872  1
  P  P98  1  0.449429  0.935948  0.376683  1
  P  P99  1  0.831213  0.496328  0.306620  1
  P  P100  1  0.150150  0.995924  0.363715  1
  P  P101  1  0.531522  0.049800  0.309583  1
  P  P102  1  0.851713  0.551548  0.366280  1
  P  P103  1  0.323500  0.302856  0.310093  1
  P  P104  1  0.630978  0.803618  0.367188  1
  P  P105  1  0.115058  0.078586  0.274128  1
  P  P106  1  0.420104  0.580883  0.330033  1
  P  P107  1  0.209602  0.183279  0.379506  1
  P  P108  1  0.891739  0.684450  0.329449  1
  P  P109  1  0.951105  0.271630  0.286528  1
  P  P110  1  0.259109  0.772852  0.342580  1
  P  P111  1  0.418991  0.085739  0.315862  1
  P  P112  1  0.738008  0.586785  0.373438  1
  P  P113  1  0.101464  0.052047  0.365752  1
  P  P114  1  0.780857  0.550593  0.309707  1
  P  P115  1  0.195984  0.466396  0.286027  1
  P  P116  1  0.514914  0.966410  0.342064  1
  P  P117  1  0.782116  0.056258  0.294157  1
  P  P118  1  0.101065  0.557537  0.351104  1
  P  P119  1  0.695395  0.465853  0.286471  1
  P  P120  1  0.015616  0.965519  0.341847  1
  P  P121  1  0.443804  0.461042  0.300518  1
  P  P122  1  0.764907  0.960844  0.357652  1
  P  P123  1  0.955696  0.214195  0.296442  1
  P  P124  1  0.263762  0.715309  0.352513  1
  P  P125  1  0.458084  0.183394  0.380939  1
  P  P126  1  0.141959  0.684748  0.329167  1
  P  P127  1  0.200856  0.271936  0.286330  1
  P  P128  1  0.508606  0.772776  0.342412  1
  P  P129  1  0.649417  0.491165  0.379104  1
  P  P130  1  0.328370  0.990563  0.322104  1
  P  P131  1  0.377285  0.431765  0.335908  1
  P  P132  1  0.629755  0.931276  0.336594  1
  P  P133  1  0.587787  0.077848  0.274736  1
  P  P134  1  0.909251  0.581035  0.330824  1
  P  P135  1  0.353326  0.056656  0.351401  1
  P  P136  1  0.034521  0.556611  0.294780  1
  P  P137  1  0.397021  0.019706  0.286643  1
  P  P138  1  0.715010  0.521057  0.343981  1
  P  P139  1  0.450583  0.276240  0.343899  1
  P  P140  1  0.133387  0.776692  0.291306  1
  P  P141  1  0.290558  0.055555  0.293790  1
  P  P142  1  0.603773  0.557181  0.350959  1
  P  P143  1  0.829476  0.209198  0.347015  1
  P  P144  1  0.515065  0.710140  0.295524  1
  P  P145  1  0.149411  0.491399  0.379144  1
  P  P146  1  0.830874  0.990655  0.321847  1
  P  P147  1  0.264444  0.466740  0.341863  1
  P  P148  1  0.945492  0.965183  0.286647  1
  P  P149  1  0.073225  0.302769  0.310009  1
  P  P150  1  0.381611  0.804393  0.366652  1
  P  P151  1  0.577559  0.244889  0.319521  1
  P  P152  1  0.886320  0.746461  0.376503  1
  P  P153  1  0.950808  0.276056  0.343798  1
  P  P154  1  0.633486  0.777430  0.291127  1
  P  P155  1  0.515182  0.460958  0.357502  1
  P  P156  1  0.197197  0.960369  0.300959  1
  P  P157  1  0.451264  0.271903  0.286497  1
  P  P158  1  0.759307  0.772874  0.342307  1
  P  P159  1  0.331731  0.496867  0.306433  1
  P  P160  1  0.650624  0.996231  0.364116  1
  P  P161  1  0.072916  0.307249  0.368396  1
  P  P162  1  0.755731  0.808363  0.315618  1
  P  P163  1  0.959081  0.183541  0.382976  1
  P  P164  1  0.641699  0.684471  0.329917  1
  P  P165  1  0.708106  0.183742  0.381423  1
  P  P166  1  0.391370  0.684787  0.329357  1
  P  P167  1  0.202260  0.241119  0.371164  1
  P  P168  1  0.887336  0.741717  0.317768  1
  P  P169  1  0.285567  0.026560  0.385831  1
  P  P170  1  0.604141  0.526967  0.442537  1
  P  P171  1  0.535249  0.021736  0.400991  1
  P  P172  1  0.854367  0.522197  0.457715  1
  P  P173  1  0.320777  0.333877  0.443882  1
  P  P174  1  0.004578  0.834515  0.391824  1
  P  P175  1  0.953137  0.245183  0.429520  1
  P  P176  1  0.260383  0.746487  0.486363  1
  P  P177  1  0.452505  0.245121  0.429547  1
  P  P178  1  0.760590  0.746309  0.486231  1
  P  P179  1  0.853885  0.026989  0.442490  1
  P  P180  1  0.535043  0.527046  0.386032  1
  P  P181  1  0.081897  0.214428  0.404844  1
  P  P182  1  0.388441  0.715533  0.461790  1
  P  P183  1  0.819957  0.333855  0.443800  1
  P  P184  1  0.503205  0.834765  0.391210  1
  P  P185  1  0.956796  0.209270  0.456208  1
  P  P186  1  0.638727  0.710704  0.403842  1
  P  P187  1  0.207298  0.210261  0.456962  1
  P  P188  1  0.889613  0.710967  0.403810  1
  P  P189  1  0.578600  0.240872  0.480791  1
  P  P190  1  0.261281  0.741918  0.427949  1
  P  P191  1  0.402941  0.465881  0.455321  1
  P  P192  1  0.083998  0.965699  0.398779  1
  P  P193  1  0.300568  0.082252  0.444625  1
  P  P194  1  0.981303  0.582066  0.387948  1
  P  P195  1  0.266790  0.436342  0.433230  1
  P  P196  1  0.584528  0.936299  0.490394  1
  P  P197  1  0.811886  0.082390  0.443820  1
  P  P198  1  0.491836  0.582214  0.387265  1
  P  P199  1  0.100070  0.179793  0.431872  1
  P  P200  1  0.394209  0.680806  0.489047  1
  P  P201  1  0.078022  0.240864  0.481116  1
  P  P202  1  0.761332  0.741943  0.428102  1
  P  P203  1  0.446702  0.307670  0.478021  1
  P  P204  1  0.130171  0.808563  0.425299  1
  P  P205  1  0.604910  0.022067  0.457539  1
  P  P206  1  0.285514  0.522074  0.401019  1
  P  P207  1  0.037450  0.496302  0.477311  1
  P  P208  1  0.718669  0.996079  0.420672  1
  P  P209  1  0.239418  0.052647  0.479306  1
  P  P210  1  0.920016  0.552589  0.422935  1
  P  P211  1  0.785893  0.026782  0.385896  1
  P  P212  1  0.103581  0.527093  0.442619  1
  P  P213  1  0.197676  0.303045  0.420084  1
  P  P214  1  0.506167  0.804638  0.476606  1
  P  P215  1  0.329536  0.213706  0.405796  1
  P  P216  1  0.637911  0.715034  0.462203  1
  P  P217  1  0.070232  0.334040  0.443133  1
  P  P218  1  0.753700  0.834657  0.390239  1
  P  P219  1  0.447691  0.303439  0.419753  1
  P  P220  1  0.756010  0.804613  0.476505  1
  P  P221  1  0.342787  0.436096  0.489761  1
  P  P222  1  0.023734  0.935964  0.433349  1
  P  P223  1  0.570408  0.333863  0.444384  1
  P  P224  1  0.253252  0.834757  0.391444  1
  P  P225  1  0.718803  0.491252  0.435964  1
  P  P226  1  0.037900  0.991441  0.492580  1
  P  P227  1  0.651862  0.460798  0.470495  1
  P  P228  1  0.332149  0.960561  0.414035  1
  P  P229  1  0.702495  0.245065  0.429413  1
  P  P230  1  0.010820  0.746305  0.486300  1
  P  P231  1  0.325355  0.276564  0.453922  1
  P  P232  1  0.008364  0.777624  0.400822  1
  P  P233  1  0.830564  0.435911  0.490513  1
  P  P234  1  0.511356  0.935791  0.434050  1
  P  P235  1  0.671245  0.052485  0.422699  1
  P  P236  1  0.989932  0.552883  0.479567  1
  P  P237  1  0.830917  0.214122  0.405243  1
  P  P238  1  0.138458  0.715055  0.462077  1
  P  P239  1  0.706580  0.209369  0.456474  1
  P  P240  1  0.388879  0.710449  0.403752  1
  P  P241  1  0.947650  0.307907  0.478049  1
  P  P242  1  0.630943  0.808874  0.425203  1
  P  P243  1  0.328920  0.240928  0.481159  1
  P  P244  1  0.011613  0.741929  0.428075  1
  P  P245  1  0.219341  0.491263  0.435662  1
  P  P246  1  0.538519  0.991388  0.492382  1
  P  P247  1  0.488662  0.057646  0.463951  1
  P  P248  1  0.169499  0.557665  0.407442  1
  P  P249  1  0.824872  0.276457  0.453812  1
  P  P250  1  0.507797  0.777506  0.400963  1
  P  P251  1  0.104534  0.021811  0.457557  1
  P  P252  1  0.785157  0.521626  0.401071  1
  P  P253  1  0.943002  0.337763  0.392538  1
  P  P254  1  0.250736  0.838782  0.449486  1
  P  P255  1  0.196696  0.307960  0.478128  1
  P  P256  1  0.879984  0.808819  0.425123  1
  P  P257  1  0.537771  0.496526  0.477325  1
  P  P258  1  0.218676  0.996299  0.420736  1
  P  P259  1  0.584008  0.460511  0.413938  1
  P  P260  1  0.902869  0.960590  0.470625  1
  P  P261  1  0.354798  0.026888  0.442592  1
  P  P262  1  0.035872  0.527003  0.386095  1
  P  P263  1  0.325981  0.272092  0.395575  1
  P  P264  1  0.633840  0.773347  0.452283  1
  P  P265  1  0.769756  0.435974  0.433105  1
  P  P266  1  0.086902  0.935975  0.490417  1
  P  P267  1  0.468753  0.496203  0.420513  1
  P  P268  1  0.787795  0.996241  0.477265  1
  P  P269  1  0.171820  0.051880  0.422438  1
  P  P270  1  0.490712  0.552255  0.479277  1
  P  P271  1  0.948251  0.302989  0.420037  1
  P  P272  1  0.256134  0.804098  0.476939  1
  P  P273  1  0.737680  0.081498  0.387347  1
  P  P274  1  0.057447  0.582195  0.444661  1
  P  P275  1  0.832883  0.183530  0.491128  1
  P  P276  1  0.516291  0.684573  0.438053  1
  P  P277  1  0.575831  0.272017  0.395590  1
  P  P278  1  0.883916  0.773334  0.452357  1
  P  P279  1  0.057148  0.086834  0.428875  1
  P  P280  1  0.375154  0.587126  0.485296  1
  P  P281  1  0.739947  0.052942  0.479224  1
  P  P282  1  0.420459  0.552860  0.422804  1
  P  P283  1  0.832956  0.466280  0.398748  1
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