# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   39.43083484
_cell_length_b   50.22404554
_cell_length_c   47.95353981
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.31943184
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P432
_cell_volume   93320.8221444
_cell_formula_units_Z   432
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  0.993794  0.467832  0.292923  1
  P  P2  1  0.493794  0.467832  0.292923  1
  P  P3  1  0.072336  0.143161  0.388161  1
  P  P4  1  0.572336  0.143161  0.388161  1
  P  P5  1  0.033065  0.805497  0.340542  1
  P  P6  1  0.533065  0.805497  0.340542  1
  P  P7  1  0.098673  0.602102  0.422016  1
  P  P8  1  0.598673  0.602102  0.422016  1
  P  P9  1  0.059402  0.264437  0.374397  1
  P  P10  1  0.559402  0.264437  0.374397  1
  P  P11  1  0.019599  0.927580  0.326792  1
  P  P12  1  0.519599  0.927580  0.326792  1
  P  P13  1  0.011357  0.429600  0.344771  1
  P  P14  1  0.511357  0.429600  0.344771  1
  P  P15  1  0.972105  0.091949  0.297126  1
  P  P16  1  0.472105  0.091949  0.297126  1
  P  P17  1  0.050628  0.767264  0.392390  1
  P  P18  1  0.550628  0.767264  0.392390  1
  P  P19  1  0.081111  0.640334  0.370168  1
  P  P20  1  0.581111  0.640334  0.370168  1
  P  P21  1  0.041839  0.302670  0.322549  1
  P  P22  1  0.541839  0.302670  0.322549  1
  P  P23  1  0.120382  0.977999  0.417787  1
  P  P24  1  0.620382  0.977999  0.417787  1
  P  P25  1  0.063692  0.426115  0.294983  1
  P  P26  1  0.563692  0.426115  0.294983  1
  P  P27  1  0.142234  0.101444  0.390221  1
  P  P28  1  0.642234  0.101444  0.390221  1
  P  P29  1  0.102963  0.763779  0.342602  1
  P  P30  1  0.602963  0.763779  0.342602  1
  P  P31  1  0.028776  0.643819  0.419956  1
  P  P32  1  0.528776  0.643819  0.419956  1
  P  P33  1  0.989504  0.306155  0.372337  1
  P  P34  1  0.489504  0.306155  0.372337  1
  P  P35  1  0.951320  0.968332  0.324773  1
  P  P36  1  0.451320  0.968332  0.324773  1
  P  P37  1  0.993787  0.405562  0.287252  1
  P  P38  1  0.493787  0.405562  0.287252  1
  P  P39  1  0.072329  0.080891  0.382491  1
  P  P40  1  0.572329  0.080891  0.382491  1
  P  P41  1  0.033058  0.743226  0.334871  1
  P  P42  1  0.533058  0.743226  0.334871  1
  P  P43  1  0.098680  0.664373  0.427687  1
  P  P44  1  0.598680  0.664373  0.427687  1
  P  P45  1  0.059409  0.326708  0.380068  1
  P  P46  1  0.559409  0.326708  0.380068  1
  P  P47  1  0.019603  0.988408  0.332355  1
  P  P48  1  0.519603  0.988408  0.332355  1
  P  P49  1  0.278420  0.521007  0.414592  1
  P  P50  1  0.778420  0.521007  0.414592  1
  P  P51  1  0.239149  0.183343  0.366973  1
  P  P52  1  0.739149  0.183343  0.366973  1
  P  P53  1  0.199878  0.845678  0.319354  1
  P  P54  1  0.699878  0.845678  0.319354  1
  P  P55  1  0.814068  0.548915  0.300322  1
  P  P56  1  0.314068  0.548915  0.300322  1
  P  P57  1  0.892589  0.224256  0.395586  1
  P  P58  1  0.392589  0.224256  0.395586  1
  P  P59  1  0.853318  0.886592  0.347967  1
  P  P60  1  0.353318  0.886592  0.347967  1
  P  P61  1  0.108985  0.520051  0.321285  1
  P  P62  1  0.608985  0.520051  0.321285  1
  P  P63  1  0.186442  0.195593  0.416460  1
  P  P64  1  0.686442  0.195593  0.416460  1
  P  P65  1  0.147171  0.857929  0.368841  1
  P  P66  1  0.647171  0.857929  0.368841  1
  P  P67  1  0.984567  0.549670  0.393717  1
  P  P68  1  0.484567  0.549670  0.393717  1
  P  P69  1  0.945296  0.212005  0.346098  1
  P  P70  1  0.445296  0.212005  0.346098  1
  P  P71  1  0.906025  0.874341  0.298479  1
  P  P72  1  0.406025  0.874341  0.298479  1
  P  P73  1  0.174441  0.476800  0.327956  1
  P  P74  1  0.674441  0.476800  0.327956  1
  P  P75  1  0.253453  0.151316  0.423263  1
  P  P76  1  0.753453  0.151316  0.423263  1
  P  P77  1  0.214182  0.813651  0.375644  1
  P  P78  1  0.714182  0.813651  0.375644  1
  P  P79  1  0.917556  0.593947  0.386914  1
  P  P80  1  0.417556  0.593947  0.386914  1
  P  P81  1  0.878285  0.256283  0.339295  1
  P  P82  1  0.378285  0.256283  0.339295  1
  P  P83  1  0.839014  0.918618  0.291676  1
  P  P84  1  0.339014  0.918618  0.291676  1
  P  P85  1  0.179690  0.536913  0.325412  1
  P  P86  1  0.679690  0.536913  0.325412  1
  P  P87  1  0.258825  0.212854  0.420670  1
  P  P88  1  0.758825  0.212854  0.420670  1
  P  P89  1  0.219554  0.875190  0.373051  1
  P  P90  1  0.719554  0.875190  0.373051  1
  P  P91  1  0.912184  0.532409  0.389508  1
  P  P92  1  0.412184  0.532409  0.389508  1
  P  P93  1  0.872913  0.194744  0.341889  1
  P  P94  1  0.372913  0.194744  0.341889  1
  P  P95  1  0.833642  0.857080  0.294270  1
  P  P96  1  0.333642  0.857080  0.294270  1
  P  P97  1  0.867954  0.377305  0.332658  1
  P  P98  1  0.367954  0.377305  0.332658  1
  P  P99  1  0.946496  0.052634  0.427897  1
  P  P100  1  0.446496  0.052634  0.427897  1
  P  P101  1  0.907225  0.714969  0.380278  1
  P  P102  1  0.407225  0.714969  0.380278  1
  P  P103  1  0.224513  0.692629  0.382281  1
  P  P104  1  0.724513  0.692629  0.382281  1
  P  P105  1  0.185777  0.354181  0.334515  1
  P  P106  1  0.685777  0.354181  0.334515  1
  P  P107  1  0.146370  0.015141  0.287295  1
  P  P108  1  0.646370  0.015141  0.287295  1
  P  P109  1  0.880682  0.414653  0.382603  1
  P  P110  1  0.380682  0.414653  0.382603  1
  P  P111  1  0.838880  0.076997  0.334272  1
  P  P112  1  0.338880  0.076997  0.334272  1
  P  P113  1  0.802013  0.739309  0.287344  1
  P  P114  1  0.302013  0.739309  0.287344  1
  P  P115  1  0.211785  0.655281  0.332336  1
  P  P116  1  0.711785  0.655281  0.332336  1
  P  P117  1  0.290327  0.330610  0.427574  1
  P  P118  1  0.790327  0.330610  0.427574  1
  P  P119  1  0.251056  0.992946  0.379955  1
  P  P120  1  0.751056  0.992946  0.379955  1
  P  P121  1  0.805339  0.415378  0.361048  1
  P  P122  1  0.305339  0.415378  0.361048  1
  P  P123  1  0.768689  0.077674  0.314113  1
  P  P124  1  0.268689  0.077674  0.314113  1
  P  P125  1  0.844610  0.753042  0.408667  1
  P  P126  1  0.344610  0.753042  0.408667  1
  P  P127  1  0.287128  0.654556  0.353892  1
  P  P128  1  0.787128  0.654556  0.353892  1
  P  P129  1  0.246882  0.316984  0.306714  1
  P  P130  1  0.746882  0.316984  0.306714  1
  P  P131  1  0.326399  0.992221  0.401511  1
  P  P132  1  0.826399  0.992221  0.401511  1
  P  P133  1  0.857553  0.440300  0.324363  1
  P  P134  1  0.357553  0.440300  0.324363  1
  P  P135  1  0.936095  0.115629  0.419601  1
  P  P136  1  0.436095  0.115629  0.419601  1
  P  P137  1  0.896824  0.777964  0.371982  1
  P  P138  1  0.396824  0.777964  0.371982  1
  P  P139  1  0.234914  0.629634  0.390577  1
  P  P140  1  0.734914  0.629634  0.390577  1
  P  P141  1  0.195957  0.292647  0.342642  1
  P  P142  1  0.695957  0.292647  0.342642  1
  P  P143  1  0.156064  0.956434  0.295059  1
  P  P144  1  0.656064  0.956434  0.295059  1
  P  P145  1  0.111607  0.480826  0.435780  1
  P  P146  1  0.611607  0.480826  0.435780  1
  P  P147  1  0.190149  0.156155  0.531019  1
  P  P148  1  0.690149  0.156155  0.531019  1
  P  P149  1  0.150878  0.818490  0.483399  1
  P  P150  1  0.650878  0.818490  0.483399  1
  P  P151  1  0.216487  0.615095  0.564873  1
  P  P152  1  0.716487  0.615095  0.564873  1
  P  P153  1  0.177216  0.277431  0.517254  1
  P  P154  1  0.677216  0.277431  0.517254  1
  P  P155  1  0.137945  0.939766  0.469635  1
  P  P156  1  0.637945  0.939766  0.469635  1
  P  P157  1  0.129170  0.442593  0.487629  1
  P  P158  1  0.629170  0.442593  0.487629  1
  P  P159  1  0.089899  0.104929  0.440010  1
  P  P160  1  0.589899  0.104929  0.440010  1
  P  P161  1  0.168441  0.780258  0.535248  1
  P  P162  1  0.668441  0.780258  0.535248  1
  P  P163  1  0.198924  0.653327  0.513025  1
  P  P164  1  0.698924  0.653327  0.513025  1
  P  P165  1  0.159653  0.315663  0.465406  1
  P  P166  1  0.659653  0.315663  0.465406  1
  P  P167  1  0.238195  0.990992  0.560644  1
  P  P168  1  0.738195  0.990992  0.560644  1
  P  P169  1  0.181505  0.439108  0.437840  1
  P  P170  1  0.681505  0.439108  0.437840  1
  P  P171  1  0.260047  0.114437  0.533079  1
  P  P172  1  0.760047  0.114437  0.533079  1
  P  P173  1  0.220776  0.776773  0.485460  1
  P  P174  1  0.720776  0.776773  0.485460  1
  P  P175  1  0.146589  0.656813  0.562813  1
  P  P176  1  0.646589  0.656813  0.562813  1
  P  P177  1  0.107318  0.319148  0.515194  1
  P  P178  1  0.607318  0.319148  0.515194  1
  P  P179  1  0.068047  0.981484  0.467575  1
  P  P180  1  0.568047  0.981484  0.467575  1
  P  P181  1  0.111600  0.418555  0.430110  1
  P  P182  1  0.611600  0.418555  0.430110  1
  P  P183  1  0.190143  0.093884  0.525348  1
  P  P184  1  0.690143  0.093884  0.525348  1
  P  P185  1  0.150871  0.756219  0.477729  1
  P  P186  1  0.650871  0.756219  0.477729  1
  P  P187  1  0.216494  0.677366  0.570544  1
  P  P188  1  0.716494  0.677366  0.570544  1
  P  P189  1  0.177223  0.339701  0.522925  1
  P  P190  1  0.677223  0.339701  0.522925  1
  P  P191  1  0.137951  1.002037  0.475306  1
  P  P192  1  0.637951  1.002037  0.475306  1
  P  P193  1  0.396234  0.534000  0.557449  1
  P  P194  1  0.896234  0.534000  0.557449  1
  P  P195  1  0.356963  0.196336  0.509830  1
  P  P196  1  0.856963  0.196336  0.509830  1
  P  P197  1  0.317692  0.858671  0.462211  1
  P  P198  1  0.817692  0.858671  0.462211  1
  P  P199  1  0.931860  0.561921  0.443205  1
  P  P200  1  0.431860  0.561921  0.443205  1
  P  P201  1  0.010402  0.237249  0.538443  1
  P  P202  1  0.510402  0.237249  0.538443  1
  P  P203  1  0.971131  0.899585  0.490824  1
  P  P204  1  0.471131  0.899585  0.490824  1
  P  P205  1  0.225713  0.533258  0.464079  1
  P  P206  1  0.725713  0.533258  0.464079  1
  P  P207  1  0.304256  0.208587  0.559318  1
  P  P208  1  0.804256  0.208587  0.559318  1
  P  P209  1  0.264984  0.870922  0.511698  1
  P  P210  1  0.764984  0.870922  0.511698  1
  P  P211  1  0.102381  0.562663  0.536574  1
  P  P212  1  0.602381  0.562663  0.536574  1
  P  P213  1  0.063110  0.224999  0.488955  1
  P  P214  1  0.563110  0.224999  0.488955  1
  P  P215  1  0.023838  0.887334  0.441336  1
  P  P216  1  0.523838  0.887334  0.441336  1
  P  P217  1  0.292725  0.488980  0.470882  1
  P  P218  1  0.792725  0.488980  0.470882  1
  P  P219  1  0.371267  0.164309  0.566120  1
  P  P220  1  0.871267  0.164309  0.566120  1
  P  P221  1  0.331996  0.826645  0.518501  1
  P  P222  1  0.831996  0.826645  0.518501  1
  P  P223  1  0.035369  0.606941  0.529772  1
  P  P224  1  0.535369  0.606941  0.529772  1
  P  P225  1  0.996098  0.269276  0.482153  1
  P  P226  1  0.496098  0.269276  0.482153  1
  P  P227  1  0.956827  0.931612  0.434534  1
  P  P228  1  0.456827  0.931612  0.434534  1
  P  P229  1  0.298097  0.550519  0.468289  1
  P  P230  1  0.798097  0.550519  0.468289  1
  P  P231  1  0.376639  0.225848  0.563527  1
  P  P232  1  0.876639  0.225848  0.563527  1
  P  P233  1  0.337368  0.888183  0.515908  1
  P  P234  1  0.837368  0.888183  0.515908  1
  P  P235  1  0.029997  0.545402  0.532365  1
  P  P236  1  0.529997  0.545402  0.532365  1
  P  P237  1  0.990726  0.207738  0.484746  1
  P  P238  1  0.490726  0.207738  0.484746  1
  P  P239  1  0.951455  0.870073  0.437127  1
  P  P240  1  0.451455  0.870073  0.437127  1
  P  P241  1  0.985767  0.390298  0.475516  1
  P  P242  1  0.485767  0.390298  0.475516  1
  P  P243  1  0.064309  0.065627  0.570754  1
  P  P244  1  0.564309  0.065627  0.570754  1
  P  P245  1  0.025038  0.727963  0.523135  1
  P  P246  1  0.525038  0.727963  0.523135  1
  P  P247  1  0.342327  0.705623  0.525138  1
  P  P248  1  0.842327  0.705623  0.525138  1
  P  P249  1  0.303056  0.367958  0.477519  1
  P  P250  1  0.803056  0.367958  0.477519  1
  P  P251  1  0.263785  0.030294  0.429900  1
  P  P252  1  0.763785  0.030294  0.429900  1
  P  P253  1  0.998495  0.427646  0.525460  1
  P  P254  1  0.498495  0.427646  0.525460  1
  P  P255  1  0.959224  0.089982  0.477841  1
  P  P256  1  0.459224  0.089982  0.477841  1
  P  P257  1  0.919953  0.752317  0.430222  1
  P  P258  1  0.419953  0.752317  0.430222  1
  P  P259  1  0.329599  0.668275  0.475194  1
  P  P260  1  0.829599  0.668275  0.475194  1
  P  P261  1  0.408141  0.343604  0.570432  1
  P  P262  1  0.908141  0.343604  0.570432  1
  P  P263  1  0.368870  0.005939  0.522813  1
  P  P264  1  0.868870  0.005939  0.522813  1
  P  P265  1  0.923153  0.428371  0.503905  1
  P  P266  1  0.423153  0.428371  0.503905  1
  P  P267  1  0.883882  0.090707  0.456286  1
  P  P268  1  0.383882  0.090707  0.456286  1
  P  P269  1  0.962424  0.766036  0.551524  1
  P  P270  1  0.462424  0.766036  0.551524  1
  P  P271  1  0.404941  0.667550  0.496749  1
  P  P272  1  0.904941  0.667550  0.496749  1
  P  P273  1  0.365670  0.329885  0.449130  1
  P  P274  1  0.865670  0.329885  0.449130  1
  P  P275  1  0.444212  0.005214  0.544368  1
  P  P276  1  0.944212  0.005214  0.544368  1
  P  P277  1  0.975366  0.453293  0.467220  1
  P  P278  1  0.475366  0.453293  0.467220  1
  P  P279  1  0.053909  0.128622  0.562458  1
  P  P280  1  0.553909  0.128622  0.562458  1
  P  P281  1  0.014637  0.790958  0.514839  1
  P  P282  1  0.514637  0.790958  0.514839  1
  P  P283  1  0.352728  0.642628  0.533434  1
  P  P284  1  0.852728  0.642628  0.533434  1
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