# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   76.18037412
_cell_length_b   61.38965274
_cell_length_c   52.50735736
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.68663580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P864
_cell_volume   199449.022802
_cell_formula_units_Z   864
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  0.681420  0.102821  0.409069  1
  P  P2  1  0.559244  0.022512  0.475735  1
  P  P3  1  0.348087  0.102821  0.409069  1
  P  P4  1  0.303596  0.683131  0.342402  1
  P  P5  1  0.225911  0.022512  0.475735  1
  P  P6  1  0.181420  0.602821  0.409069  1
  P  P7  1  0.014753  0.102821  0.409069  1
  P  P8  1  0.970262  0.683131  0.342402  1
  P  P9  1  0.059244  0.522512  0.475735  1
  P  P10  1  0.892577  0.022512  0.475735  1
  P  P11  1  0.848087  0.602821  0.409069  1
  P  P12  1  0.803596  0.183131  0.342402  1
  P  P13  1  0.636929  0.683131  0.342402  1
  P  P14  1  0.725911  0.522512  0.475735  1
  P  P15  1  0.514753  0.602821  0.409069  1
  P  P16  1  0.470262  0.183131  0.342402  1
  P  P17  1  0.392577  0.522512  0.475735  1
  P  P18  1  0.136929  0.183131  0.342402  1
  P  P19  1  0.648574  0.017901  0.325053  1
  P  P20  1  0.527778  0.939616  0.391860  1
  P  P21  1  0.315240  0.017901  0.325053  1
  P  P22  1  0.405603  0.859306  0.458526  1
  P  P23  1  0.194445  0.939616  0.391860  1
  P  P24  1  0.148574  0.517901  0.325053  1
  P  P25  1  0.981907  0.017901  0.325053  1
  P  P26  1  0.072269  0.859306  0.458526  1
  P  P27  1  0.027778  0.439616  0.391860  1
  P  P28  1  0.861112  0.939616  0.391860  1
  P  P29  1  0.815240  0.517901  0.325053  1
  P  P30  1  0.905603  0.359306  0.458526  1
  P  P31  1  0.738936  0.859306  0.458526  1
  P  P32  1  0.694445  0.439616  0.391860  1
  P  P33  1  0.481907  0.517901  0.325053  1
  P  P34  1  0.572269  0.359306  0.458526  1
  P  P35  1  0.361112  0.439616  0.391860  1
  P  P36  1  0.238936  0.359306  0.458526  1
  P  P37  1  0.721979  0.162732  0.412880  1
  P  P38  1  0.599803  0.082422  0.479547  1
  P  P39  1  0.388645  0.162732  0.412880  1
  P  P40  1  0.344155  0.743042  0.346213  1
  P  P41  1  0.266470  0.082422  0.479547  1
  P  P42  1  0.221979  0.662732  0.412880  1
  P  P43  1  0.055312  0.162732  0.412880  1
  P  P44  1  0.010821  0.743042  0.346213  1
  P  P45  1  0.099803  0.582422  0.479547  1
  P  P46  1  0.933136  0.082422  0.479547  1
  P  P47  1  0.888645  0.662732  0.412880  1
  P  P48  1  0.844155  0.243042  0.346213  1
  P  P49  1  0.677488  0.743042  0.346213  1
  P  P50  1  0.766470  0.582422  0.479547  1
  P  P51  1  0.555312  0.662732  0.412880  1
  P  P52  1  0.510821  0.243042  0.346213  1
  P  P53  1  0.433136  0.582422  0.479547  1
  P  P54  1  0.177488  0.243042  0.346213  1
  P  P55  1  0.610767  0.962069  0.321483  1
  P  P56  1  0.487220  0.879705  0.388048  1
  P  P57  1  0.277434  0.962069  0.321483  1
  P  P58  1  0.365044  0.799395  0.454715  1
  P  P59  1  0.153886  0.879705  0.388048  1
  P  P60  1  0.110767  0.462069  0.321483  1
  P  P61  1  0.944101  0.962069  0.321483  1
  P  P62  1  0.031710  0.799395  0.454715  1
  P  P63  1  0.987220  0.379705  0.388048  1
  P  P64  1  0.820553  0.879705  0.388048  1
  P  P65  1  0.777434  0.462069  0.321483  1
  P  P66  1  0.865044  0.299395  0.454715  1
  P  P67  1  0.698377  0.799395  0.454715  1
  P  P68  1  0.653886  0.379705  0.388048  1
  P  P69  1  0.444101  0.462069  0.321483  1
  P  P70  1  0.531710  0.299395  0.454715  1
  P  P71  1  0.320553  0.379705  0.388048  1
  P  P72  1  0.198377  0.299395  0.454715  1
  P  P73  1  0.718566  0.118880  0.447775  1
  P  P74  1  0.461883  0.780137  0.314729  1
  P  P75  1  0.385233  0.118880  0.447775  1
  P  P76  1  0.340742  0.699189  0.381108  1
  P  P77  1  0.128549  0.780137  0.314729  1
  P  P78  1  0.218566  0.618880  0.447775  1
  P  P79  1  0.051900  0.118880  0.447775  1
  P  P80  1  0.007409  0.699189  0.381108  1
  P  P81  1  0.961883  0.280137  0.314729  1
  P  P82  1  0.795216  0.780137  0.314729  1
  P  P83  1  0.885233  0.618880  0.447775  1
  P  P84  1  0.840742  0.199189  0.381108  1
  P  P85  1  0.674075  0.699189  0.381108  1
  P  P86  1  0.628549  0.280137  0.314729  1
  P  P87  1  0.551900  0.618880  0.447775  1
  P  P88  1  0.507409  0.199189  0.381108  1
  P  P89  1  0.295216  0.280137  0.314729  1
  P  P90  1  0.174075  0.199189  0.381108  1
  P  P91  1  0.746280  0.262938  0.486487  1
  P  P92  1  0.490632  0.923558  0.353154  1
  P  P93  1  0.412947  0.262938  0.486487  1
  P  P94  1  0.368456  0.843248  0.419820  1
  P  P95  1  0.157299  0.923558  0.353154  1
  P  P96  1  0.246280  0.762938  0.486487  1
  P  P97  1  0.079614  0.262938  0.486487  1
  P  P98  1  0.035123  0.843248  0.419820  1
  P  P99  1  0.990632  0.423558  0.353154  1
  P  P100  1  0.823965  0.923558  0.353154  1
  P  P101  1  0.912947  0.762938  0.486487  1
  P  P102  1  0.868456  0.343248  0.419820  1
  P  P103  1  0.701790  0.843248  0.419820  1
  P  P104  1  0.657299  0.423558  0.353154  1
  P  P105  1  0.579614  0.762938  0.486487  1
  P  P106  1  0.535123  0.343248  0.419820  1
  P  P107  1  0.323965  0.423558  0.353154  1
  P  P108  1  0.201790  0.343248  0.419820  1
  P  P109  1  0.688175  0.136985  0.457441  1
  P  P110  1  0.433554  0.796997  0.323781  1
  P  P111  1  0.354842  0.136985  0.457441  1
  P  P112  1  0.310351  0.717295  0.390774  1
  P  P113  1  0.100220  0.796997  0.323781  1
  P  P114  1  0.188175  0.636985  0.457441  1
  P  P115  1  0.021509  0.136985  0.457441  1
  P  P116  1  0.977018  0.717295  0.390774  1
  P  P117  1  0.933554  0.296997  0.323781  1
  P  P118  1  0.766887  0.796997  0.323781  1
  P  P119  1  0.854842  0.636985  0.457441  1
  P  P120  1  0.810351  0.217295  0.390774  1
  P  P121  1  0.643685  0.717295  0.390774  1
  P  P122  1  0.600220  0.296997  0.323781  1
  P  P123  1  0.521509  0.636985  0.457441  1
  P  P124  1  0.477018  0.217295  0.390774  1
  P  P125  1  0.266887  0.296997  0.323781  1
  P  P126  1  0.143685  0.217295  0.390774  1
  P  P127  1  0.776671  0.244833  0.476821  1
  P  P128  1  0.521023  0.905452  0.343487  1
  P  P129  1  0.443338  0.244833  0.476821  1
  P  P130  1  0.398847  0.825142  0.410154  1
  P  P131  1  0.187690  0.905452  0.343487  1
  P  P132  1  0.276671  0.744833  0.476821  1
  P  P133  1  0.110005  0.244833  0.476821  1
  P  P134  1  0.065514  0.825142  0.410154  1
  P  P135  1  0.021023  0.405452  0.343487  1
  P  P136  1  0.854356  0.905452  0.343487  1
  P  P137  1  0.943338  0.744833  0.476821  1
  P  P138  1  0.898847  0.325142  0.410154  1
  P  P139  1  0.732180  0.825142  0.410154  1
  P  P140  1  0.687690  0.405452  0.343487  1
  P  P141  1  0.610005  0.744833  0.476821  1
  P  P142  1  0.565514  0.325142  0.410154  1
  P  P143  1  0.354356  0.405452  0.343487  1
  P  P144  1  0.232180  0.325142  0.410154  1
  P  P145  1  0.734497  0.035252  0.412528  1
  P  P146  1  0.612321  0.954942  0.479195  1
  P  P147  1  0.401164  0.035252  0.412528  1
  P  P148  1  0.357005  0.616312  0.345543  1
  P  P149  1  0.278988  0.954942  0.479195  1
  P  P150  1  0.234497  0.535252  0.412528  1
  P  P151  1  0.067831  0.035252  0.412528  1
  P  P152  1  0.023672  0.616312  0.345543  1
  P  P153  1  0.112321  0.454942  0.479195  1
  P  P154  1  0.945655  0.954942  0.479195  1
  P  P155  1  0.901164  0.535252  0.412528  1
  P  P156  1  0.857005  0.116312  0.345543  1
  P  P157  1  0.690339  0.616312  0.345543  1
  P  P158  1  0.778988  0.454942  0.479195  1
  P  P159  1  0.567831  0.535252  0.412528  1
  P  P160  1  0.523672  0.116312  0.345543  1
  P  P161  1  0.445655  0.454942  0.479195  1
  P  P162  1  0.190339  0.116312  0.345543  1
  P  P163  1  0.596877  0.087495  0.321734  1
  P  P164  1  0.474701  0.007185  0.388400  1
  P  P165  1  0.263544  0.087495  0.321734  1
  P  P166  1  0.352525  0.926876  0.455067  1
  P  P167  1  0.141368  0.007185  0.388400  1
  P  P168  1  0.096877  0.587495  0.321734  1
  P  P169  1  0.930210  0.087495  0.321734  1
  P  P170  1  0.019192  0.926876  0.455067  1
  P  P171  1  0.974701  0.507185  0.388400  1
  P  P172  1  0.808034  0.007185  0.388400  1
  P  P173  1  0.763544  0.587495  0.321734  1
  P  P174  1  0.852525  0.426876  0.455067  1
  P  P175  1  0.685859  0.926876  0.455067  1
  P  P176  1  0.641368  0.507185  0.388400  1
  P  P177  1  0.430210  0.587495  0.321734  1
  P  P178  1  0.519192  0.426876  0.455067  1
  P  P179  1  0.308034  0.507185  0.388400  1
  P  P180  1  0.185859  0.426876  0.455067  1
  P  P181  1  0.736225  0.073526  0.371335  1
  P  P182  1  0.614050  0.993216  0.438002  1
  P  P183  1  0.402892  0.073526  0.371335  1
  P  P184  1  0.358741  0.653663  0.305218  1
  P  P185  1  0.280716  0.993216  0.438002  1
  P  P186  1  0.236225  0.573526  0.371335  1
  P  P187  1  0.069559  0.073526  0.371335  1
  P  P188  1  0.025408  0.653663  0.305218  1
  P  P189  1  0.114050  0.493216  0.438002  1
  P  P190  1  0.947383  0.993216  0.438002  1
  P  P191  1  0.902892  0.573526  0.371335  1
  P  P192  1  0.858741  0.153663  0.305218  1
  P  P193  1  0.692075  0.653663  0.305218  1
  P  P194  1  0.780716  0.493216  0.438002  1
  P  P195  1  0.569559  0.573526  0.371335  1
  P  P196  1  0.525408  0.153663  0.305218  1
  P  P197  1  0.447383  0.493216  0.438002  1
  P  P198  1  0.192075  0.153663  0.305218  1
  P  P199  1  0.595149  0.049221  0.362927  1
  P  P200  1  0.472973  0.968911  0.429593  1
  P  P201  1  0.261815  0.049221  0.362927  1
  P  P202  1  0.350797  0.888601  0.496260  1
  P  P203  1  0.139640  0.968911  0.429593  1
  P  P204  1  0.095149  0.549221  0.362927  1
  P  P205  1  0.928482  0.049221  0.362927  1
  P  P206  1  0.017464  0.888601  0.496260  1
  P  P207  1  0.972973  0.468911  0.429593  1
  P  P208  1  0.806306  0.968911  0.429593  1
  P  P209  1  0.761815  0.549221  0.362927  1
  P  P210  1  0.850797  0.388601  0.496260  1
  P  P211  1  0.684130  0.888601  0.496260  1
  P  P212  1  0.639640  0.468911  0.429593  1
  P  P213  1  0.428482  0.549221  0.362927  1
  P  P214  1  0.517464  0.388601  0.496260  1
  P  P215  1  0.306306  0.468911  0.429593  1
  P  P216  1  0.184130  0.388601  0.496260  1
  P  P217  1  0.775036  0.095209  0.409108  1
  P  P218  1  0.652860  0.014900  0.475775  1
  P  P219  1  0.441703  0.095209  0.409108  1
  P  P220  1  0.396613  0.674875  0.342188  1
  P  P221  1  0.319527  0.014900  0.475775  1
  P  P222  1  0.275036  0.595209  0.409108  1
  P  P223  1  0.108369  0.095209  0.409108  1
  P  P224  1  0.063279  0.674875  0.342188  1
  P  P225  1  0.152860  0.514900  0.475775  1
  P  P226  1  0.986194  0.014900  0.475775  1
  P  P227  1  0.941703  0.595209  0.409108  1
  P  P228  1  0.896613  0.174875  0.342188  1
  P  P229  1  0.729946  0.674875  0.342188  1
  P  P230  1  0.819527  0.514900  0.475775  1
  P  P231  1  0.608369  0.595209  0.409108  1
  P  P232  1  0.563279  0.174875  0.342188  1
  P  P233  1  0.486194  0.514900  0.475775  1
  P  P234  1  0.229946  0.174875  0.342188  1
  P  P235  1  0.556338  0.027538  0.325153  1
  P  P236  1  0.434162  0.947228  0.391820  1
  P  P237  1  0.223005  0.027538  0.325153  1
  P  P238  1  0.311987  0.866918  0.458487  1
  P  P239  1  0.100829  0.947228  0.391820  1
  P  P240  1  0.056338  0.527538  0.325153  1
  P  P241  1  0.889672  0.027538  0.325153  1
  P  P242  1  0.978653  0.866918  0.458487  1
  P  P243  1  0.934162  0.447228  0.391820  1
  P  P244  1  0.767496  0.947228  0.391820  1
  P  P245  1  0.723005  0.527538  0.325153  1
  P  P246  1  0.811987  0.366918  0.458487  1
  P  P247  1  0.645320  0.866918  0.458487  1
  P  P248  1  0.600829  0.447228  0.391820  1
  P  P249  1  0.389672  0.527538  0.325153  1
  P  P250  1  0.478653  0.366918  0.458487  1
  P  P251  1  0.267496  0.447228  0.391820  1
  P  P252  1  0.145320  0.366918  0.458487  1
  P  P253  1  0.644158  0.974086  0.432865  1
  P  P254  1  0.521982  0.893777  0.499532  1
  P  P255  1  0.310825  0.974086  0.432865  1
  P  P256  1  0.266334  0.554396  0.366199  1
  P  P257  1  0.188649  0.893777  0.499532  1
  P  P258  1  0.144158  0.474086  0.432865  1
  P  P259  1  0.977491  0.974086  0.432865  1
  P  P260  1  0.933000  0.554396  0.366199  1
  P  P261  1  0.021982  0.393777  0.499532  1
  P  P262  1  0.855315  0.893777  0.499532  1
  P  P263  1  0.810825  0.474086  0.432865  1
  P  P264  1  0.766334  0.054396  0.366199  1
  P  P265  1  0.599667  0.554396  0.366199  1
  P  P266  1  0.688649  0.393777  0.499532  1
  P  P267  1  0.477491  0.474086  0.432865  1
  P  P268  1  0.433000  0.054396  0.366199  1
  P  P269  1  0.355315  0.393777  0.499532  1
  P  P270  1  0.099667  0.054396  0.366199  1
  P  P271  1  0.687290  0.148594  0.301374  1
  P  P272  1  0.565041  0.068351  0.368063  1
  P  P273  1  0.353956  0.148594  0.301374  1
  P  P274  1  0.442865  0.988041  0.434730  1
  P  P275  1  0.231707  0.068351  0.368063  1
  P  P276  1  0.187290  0.648594  0.301374  1
  P  P277  1  0.020623  0.148594  0.301374  1
  P  P278  1  0.109531  0.988041  0.434730  1
  P  P279  1  0.065041  0.568351  0.368063  1
  P  P280  1  0.898374  0.068351  0.368063  1
  P  P281  1  0.853956  0.648594  0.301374  1
  P  P282  1  0.942865  0.488041  0.434730  1
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