# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   44.64861459
_cell_length_b   99.23662458
_cell_length_c   54.54368596
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.86141507
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P1152
_cell_volume   239236.975074
_cell_formula_units_Z   1152
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  0.077920  0.721639  0.281742  1
  P  P2  1  0.141469  0.555835  0.335971  1
  P  P3  1  0.641469  0.722501  0.335971  1
  P  P4  1  0.077920  0.388306  0.281742  1
  P  P5  1  0.141469  0.222501  0.335971  1
  P  P6  1  0.577920  0.554973  0.281742  1
  P  P7  1  0.641469  0.389168  0.335971  1
  P  P8  1  0.077920  0.054973  0.281742  1
  P  P9  1  0.141469  0.889168  0.335971  1
  P  P10  1  0.577920  0.221639  0.281742  1
  P  P11  1  0.641469  0.055835  0.335971  1
  P  P12  1  0.577920  0.888306  0.281742  1
  P  P13  1  0.200023  0.783815  0.387851  1
  P  P14  1  0.135649  0.617074  0.332296  1
  P  P15  1  0.635649  0.783740  0.332296  1
  P  P16  1  0.200023  0.450481  0.387851  1
  P  P17  1  0.135649  0.283740  0.332296  1
  P  P18  1  0.700023  0.617148  0.387851  1
  P  P19  1  0.635649  0.450407  0.332296  1
  P  P20  1  0.200023  0.117148  0.387851  1
  P  P21  1  0.135649  0.950407  0.332296  1
  P  P22  1  0.700023  0.283815  0.387851  1
  P  P23  1  0.635649  0.117074  0.332296  1
  P  P24  1  0.700023  0.950481  0.387851  1
  P  P25  1  0.098446  0.701695  0.319837  1
  P  P26  1  0.163550  0.534396  0.376766  1
  P  P27  1  0.663550  0.701063  0.376766  1
  P  P28  1  0.098446  0.368362  0.319837  1
  P  P29  1  0.163550  0.201063  0.376766  1
  P  P30  1  0.598446  0.535029  0.319837  1
  P  P31  1  0.663550  0.367730  0.376766  1
  P  P32  1  0.098446  0.035029  0.319837  1
  P  P33  1  0.163550  0.867730  0.376766  1
  P  P34  1  0.598446  0.201695  0.319837  1
  P  P35  1  0.663550  0.034396  0.376766  1
  P  P36  1  0.598446  0.868362  0.319837  1
  P  P37  1  0.177942  0.805253  0.347056  1
  P  P38  1  0.113567  0.638512  0.291500  1
  P  P39  1  0.613567  0.805179  0.291500  1
  P  P40  1  0.177942  0.471920  0.347056  1
  P  P41  1  0.113567  0.305179  0.291500  1
  P  P42  1  0.677942  0.638586  0.347056  1
  P  P43  1  0.613567  0.471846  0.291500  1
  P  P44  1  0.177942  0.138586  0.347056  1
  P  P45  1  0.113567  0.971846  0.291500  1
  P  P46  1  0.677942  0.305253  0.347056  1
  P  P47  1  0.613567  0.138512  0.291500  1
  P  P48  1  0.677942  0.971920  0.347056  1
  P  P49  1  0.264520  0.701601  0.383255  1
  P  P50  1  0.200146  0.534860  0.327700  1
  P  P51  1  0.700146  0.701527  0.327700  1
  P  P52  1  0.264520  0.368268  0.383255  1
  P  P53  1  0.200146  0.201527  0.327700  1
  P  P54  1  0.764520  0.534934  0.383255  1
  P  P55  1  0.700146  0.368194  0.327700  1
  P  P56  1  0.264520  0.034934  0.383255  1
  P  P57  1  0.200146  0.868194  0.327700  1
  P  P58  1  0.764520  0.201601  0.383255  1
  P  P59  1  0.700146  0.034860  0.327700  1
  P  P60  1  0.764520  0.868268  0.383255  1
  P  P61  1  0.014816  0.804933  0.284991  1
  P  P62  1  0.076972  0.638048  0.340567  1
  P  P63  1  0.576972  0.804715  0.340567  1
  P  P64  1  0.014816  0.471599  0.284991  1
  P  P65  1  0.076972  0.304715  0.340567  1
  P  P66  1  0.514816  0.638266  0.284991  1
  P  P67  1  0.576972  0.471382  0.340567  1
  P  P68  1  0.014816  0.138266  0.284991  1
  P  P69  1  0.076972  0.971382  0.340567  1
  P  P70  1  0.514816  0.304933  0.284991  1
  P  P71  1  0.576972  0.138048  0.340567  1
  P  P72  1  0.514816  0.971599  0.284991  1
  P  P73  1  0.200807  0.691677  0.383173  1
  P  P74  1  0.136433  0.524936  0.327617  1
  P  P75  1  0.636433  0.691603  0.327617  1
  P  P76  1  0.200807  0.358343  0.383173  1
  P  P77  1  0.136433  0.191603  0.327617  1
  P  P78  1  0.700807  0.525010  0.383173  1
  P  P79  1  0.636433  0.358269  0.327617  1
  P  P80  1  0.200807  0.025010  0.383173  1
  P  P81  1  0.136433  0.858269  0.327617  1
  P  P82  1  0.700807  0.191677  0.383173  1
  P  P83  1  0.636433  0.024936  0.327617  1
  P  P84  1  0.700807  0.858343  0.383173  1
  P  P85  1  0.074187  0.814192  0.285068  1
  P  P86  1  0.140685  0.647972  0.340649  1
  P  P87  1  0.640685  0.814639  0.340649  1
  P  P88  1  0.074187  0.480858  0.285068  1
  P  P89  1  0.140685  0.314639  0.340649  1
  P  P90  1  0.574187  0.647525  0.285068  1
  P  P91  1  0.640685  0.481306  0.340649  1
  P  P92  1  0.074187  0.147525  0.285068  1
  P  P93  1  0.140685  0.981306  0.340649  1
  P  P94  1  0.574187  0.314192  0.285068  1
  P  P95  1  0.640685  0.147972  0.340649  1
  P  P96  1  0.574187  0.980858  0.285068  1
  P  P97  1  0.350023  0.743581  0.356902  1
  P  P98  1  0.285649  0.576841  0.301347  1
  P  P99  1  0.785649  0.743507  0.301347  1
  P  P100  1  0.350023  0.410248  0.356902  1
  P  P101  1  0.285649  0.243507  0.301347  1
  P  P102  1  0.850023  0.576915  0.356902  1
  P  P103  1  0.785649  0.410174  0.301347  1
  P  P104  1  0.350023  0.076915  0.356902  1
  P  P105  1  0.285649  0.910174  0.301347  1
  P  P106  1  0.850023  0.243581  0.356902  1
  P  P107  1  0.785649  0.076841  0.301347  1
  P  P108  1  0.850023  0.910248  0.356902  1
  P  P109  1  0.927074  0.762663  0.311308  1
  P  P110  1  0.991469  0.596068  0.366919  1
  P  P111  1  0.491469  0.762734  0.366919  1
  P  P112  1  0.927074  0.429330  0.311308  1
  P  P113  1  0.991469  0.262734  0.366919  1
  P  P114  1  0.427074  0.595997  0.311308  1
  P  P115  1  0.491469  0.429401  0.366919  1
  P  P116  1  0.927074  0.095997  0.311308  1
  P  P117  1  0.991469  0.929401  0.366919  1
  P  P118  1  0.427074  0.262663  0.311308  1
  P  P119  1  0.491469  0.096068  0.366919  1
  P  P120  1  0.427074  0.929330  0.311308  1
  P  P121  1  0.185802  0.747260  0.295059  1
  P  P122  1  0.249241  0.580775  0.350680  1
  P  P123  1  0.749241  0.747442  0.350680  1
  P  P124  1  0.185802  0.413927  0.295059  1
  P  P125  1  0.249241  0.247442  0.350680  1
  P  P126  1  0.685802  0.580594  0.295059  1
  P  P127  1  0.749241  0.414109  0.350680  1
  P  P128  1  0.185802  0.080594  0.295059  1
  P  P129  1  0.249241  0.914109  0.350680  1
  P  P130  1  0.685802  0.247260  0.295059  1
  P  P131  1  0.749241  0.080775  0.350680  1
  P  P132  1  0.685802  0.913927  0.295059  1
  P  P133  1  0.092251  0.758874  0.373142  1
  P  P134  1  0.027876  0.592133  0.317587  1
  P  P135  1  0.527876  0.758800  0.317587  1
  P  P136  1  0.092251  0.425541  0.373142  1
  P  P137  1  0.027876  0.258800  0.317587  1
  P  P138  1  0.592251  0.592207  0.373142  1
  P  P139  1  0.527876  0.425467  0.317587  1
  P  P140  1  0.092251  0.092207  0.373142  1
  P  P141  1  0.027876  0.925467  0.317587  1
  P  P142  1  0.592251  0.258874  0.373142  1
  P  P143  1  0.527876  0.092133  0.317587  1
  P  P144  1  0.592251  0.925541  0.373142  1
  P  P145  1  0.241320  0.725315  0.291145  1
  P  P146  1  0.306077  0.558309  0.346690  1
  P  P147  1  0.806077  0.724976  0.346690  1
  P  P148  1  0.241320  0.391982  0.291145  1
  P  P149  1  0.306077  0.224976  0.346690  1
  P  P150  1  0.741320  0.558648  0.291145  1
  P  P151  1  0.806077  0.391643  0.346690  1
  P  P152  1  0.241320  0.058648  0.291145  1
  P  P153  1  0.306077  0.891643  0.346690  1
  P  P154  1  0.741320  0.225315  0.291145  1
  P  P155  1  0.806077  0.058309  0.346690  1
  P  P156  1  0.741320  0.891982  0.291145  1
  P  P157  1  0.035415  0.781340  0.377132  1
  P  P158  1  0.971040  0.614599  0.321576  1
  P  P159  1  0.471040  0.781266  0.321576  1
  P  P160  1  0.035415  0.448006  0.377132  1
  P  P161  1  0.971040  0.281266  0.321576  1
  P  P162  1  0.535415  0.614673  0.377132  1
  P  P163  1  0.471040  0.447932  0.321576  1
  P  P164  1  0.035415  0.114673  0.377132  1
  P  P165  1  0.971040  0.947932  0.321576  1
  P  P166  1  0.535415  0.281340  0.377132  1
  P  P167  1  0.471040  0.114599  0.321576  1
  P  P168  1  0.535415  0.948006  0.377132  1
  P  P169  1  0.249331  0.755499  0.291701  1
  P  P170  1  0.314278  0.589209  0.347258  1
  P  P171  1  0.814278  0.755875  0.347258  1
  P  P172  1  0.249331  0.422165  0.291701  1
  P  P173  1  0.314278  0.255875  0.347258  1
  P  P174  1  0.749331  0.588832  0.291701  1
  P  P175  1  0.814278  0.422542  0.347258  1
  P  P176  1  0.249331  0.088832  0.291701  1
  P  P177  1  0.314278  0.922542  0.347258  1
  P  P178  1  0.749331  0.255499  0.291701  1
  P  P179  1  0.814278  0.089209  0.347258  1
  P  P180  1  0.749331  0.922165  0.291701  1
  P  P181  1  0.027214  0.750440  0.376564  1
  P  P182  1  0.962839  0.583700  0.321008  1
  P  P183  1  0.462839  0.750366  0.321008  1
  P  P184  1  0.027214  0.417107  0.376564  1
  P  P185  1  0.962839  0.250366  0.321008  1
  P  P186  1  0.527214  0.583774  0.376564  1
  P  P187  1  0.462839  0.417033  0.321008  1
  P  P188  1  0.027214  0.083774  0.376564  1
  P  P189  1  0.962839  0.917033  0.321008  1
  P  P190  1  0.527214  0.250440  0.376564  1
  P  P191  1  0.462839  0.083700  0.321008  1
  P  P192  1  0.527214  0.917107  0.376564  1
  P  P193  1  0.968693  0.675401  0.323734  1
  P  P194  1  0.033067  0.508809  0.379290  1
  P  P195  1  0.533067  0.675475  0.379290  1
  P  P196  1  0.968693  0.342068  0.323734  1
  P  P197  1  0.033067  0.175475  0.379290  1
  P  P198  1  0.468693  0.508734  0.323734  1
  P  P199  1  0.533067  0.342142  0.379290  1
  P  P200  1  0.968693  0.008734  0.323734  1
  P  P201  1  0.033067  0.842142  0.379290  1
  P  P202  1  0.468693  0.175401  0.323734  1
  P  P203  1  0.533067  0.008809  0.379290  1
  P  P204  1  0.468693  0.842068  0.323734  1
  P  P205  1  0.308425  0.830841  0.344532  1
  P  P206  1  0.244300  0.663012  0.289026  1
  P  P207  1  0.744300  0.829679  0.289026  1
  P  P208  1  0.308425  0.497507  0.344532  1
  P  P209  1  0.244300  0.329679  0.289026  1
  P  P210  1  0.808425  0.664174  0.344532  1
  P  P211  1  0.744300  0.496346  0.289026  1
  P  P212  1  0.308425  0.164174  0.344532  1
  P  P213  1  0.244300  0.996346  0.289026  1
  P  P214  1  0.808425  0.330841  0.344532  1
  P  P215  1  0.744300  0.163012  0.289026  1
  P  P216  1  0.808425  0.997507  0.344532  1
  P  P217  1  0.991097  0.691858  0.367603  1
  P  P218  1  0.924381  0.525160  0.311688  1
  P  P219  1  0.424381  0.691826  0.311688  1
  P  P220  1  0.991097  0.358524  0.367603  1
  P  P221  1  0.924381  0.191826  0.311688  1
  P  P222  1  0.491097  0.525191  0.367603  1
  P  P223  1  0.424381  0.358493  0.311688  1
  P  P224  1  0.991097  0.025191  0.367603  1
  P  P225  1  0.924381  0.858493  0.311688  1
  P  P226  1  0.491097  0.191858  0.367603  1
  P  P227  1  0.424381  0.025160  0.311688  1
  P  P228  1  0.491097  0.858524  0.367603  1
  P  P229  1  0.286020  0.814384  0.300663  1
  P  P230  1  0.350395  0.647791  0.356219  1
  P  P231  1  0.850395  0.814458  0.356219  1
  P  P232  1  0.286020  0.481051  0.300663  1
  P  P233  1  0.350395  0.314458  0.356219  1
  P  P234  1  0.786020  0.647717  0.300663  1
  P  P235  1  0.850395  0.481125  0.356219  1
  P  P236  1  0.286020  0.147717  0.300663  1
  P  P237  1  0.350395  0.981125  0.356219  1
  P  P238  1  0.786020  0.314384  0.300663  1
  P  P239  1  0.850395  0.147791  0.356219  1
  P  P240  1  0.786020  0.981051  0.300663  1
  P  P241  1  0.921553  0.693195  0.357341  1
  P  P242  1  0.859576  0.526405  0.302080  1
  P  P243  1  0.359576  0.693071  0.302080  1
  P  P244  1  0.921553  0.359861  0.357341  1
  P  P245  1  0.859576  0.193071  0.302080  1
  P  P246  1  0.421553  0.526528  0.357341  1
  P  P247  1  0.359576  0.359738  0.302080  1
  P  P248  1  0.921553  0.026528  0.357341  1
  P  P249  1  0.859576  0.859738  0.302080  1
  P  P250  1  0.421553  0.193195  0.357341  1
  P  P251  1  0.359576  0.026405  0.302080  1
  P  P252  1  0.421553  0.859861  0.357341  1
  P  P253  1  0.355564  0.813047  0.310925  1
  P  P254  1  0.419939  0.646454  0.366481  1
  P  P255  1  0.919939  0.813121  0.366481  1
  P  P256  1  0.355564  0.479714  0.310925  1
  P  P257  1  0.419939  0.313121  0.366481  1
  P  P258  1  0.855564  0.646380  0.310925  1
  P  P259  1  0.919939  0.479788  0.366481  1
  P  P260  1  0.355564  0.146380  0.310925  1
  P  P261  1  0.419939  0.979788  0.366481  1
  P  P262  1  0.855564  0.313047  0.310925  1
  P  P263  1  0.919939  0.146454  0.366481  1
  P  P264  1  0.855564  0.979714  0.310925  1
  P  P265  1  0.962208  0.707286  0.321197  1
  P  P266  1  0.026582  0.540694  0.376752  1
  P  P267  1  0.526582  0.707360  0.376752  1
  P  P268  1  0.962208  0.373953  0.321197  1
  P  P269  1  0.026582  0.207360  0.376752  1
  P  P270  1  0.462208  0.540619  0.321197  1
  P  P271  1  0.526582  0.374027  0.376752  1
  P  P272  1  0.962208  0.040619  0.321197  1
  P  P273  1  0.026582  0.874027  0.376752  1
  P  P274  1  0.462208  0.207286  0.321197  1
  P  P275  1  0.526582  0.040694  0.376752  1
  P  P276  1  0.462208  0.873953  0.321197  1
  P  P277  1  0.314910  0.798956  0.347069  1
  P  P278  1  0.250342  0.633296  0.291400  1
  P  P279  1  0.750342  0.799962  0.291400  1
  P  P280  1  0.314910  0.465622  0.347069  1
  P  P281  1  0.250342  0.299962  0.291400  1
  P  P282  1  0.814910  0.632289  0.347069  1
  P  P283  1  0.750342  0.466629  0.291400  1
  P  P284  1  0.314910  0.132289  0.347069  1
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  P  P1150  1  0.201158  0.299400  0.680403  1
  P  P1151  1  0.136783  0.132660  0.624847  1
  P  P1152  1  0.201158  0.966067  0.680403  1
