# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.69908024
_cell_length_b   51.58931402
_cell_length_c   54.48662831
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.53003059
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P216
_cell_volume   46894.1525252
_cell_formula_units_Z   216
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  0.072873  0.339644  0.418309  1
  P  P2  1  0.100715  0.024641  0.370690  1
  P  P3  1  0.128557  0.709638  0.323071  1
  P  P4  1  0.514575  0.387996  0.296581  1
  P  P5  1  0.456542  0.017699  0.391685  1
  P  P6  1  0.484384  0.702696  0.344066  1
  P  P7  1  0.007520  0.398055  0.310243  1
  P  P8  1  0.951747  0.028091  0.405495  1
  P  P9  1  0.979589  0.713087  0.357876  1
  P  P10  1  0.577669  0.329252  0.404499  1
  P  P11  1  0.605511  0.014249  0.356880  1
  P  P12  1  0.633353  0.699246  0.309261  1
  P  P13  1  0.945669  0.293101  0.421385  1
  P  P14  1  0.973511  0.978098  0.373765  1
  P  P15  1  1.001353  0.663095  0.326146  1
  P  P16  1  0.638837  0.433460  0.293574  1
  P  P17  1  0.583747  0.064242  0.388610  1
  P  P18  1  0.611589  0.749239  0.340991  1
  P  P19  1  0.901177  0.345145  0.395964  1
  P  P20  1  0.929019  0.030142  0.348344  1
  P  P21  1  0.956861  0.715139  0.300725  1
  P  P22  1  0.682257  0.382636  0.318442  1
  P  P23  1  0.628239  0.012198  0.414031  1
  P  P24  1  0.656081  0.697195  0.366412  1
  P  P25  1  0.267870  0.261814  0.301428  1
  P  P26  1  0.212186  0.891820  0.396667  1
  P  P27  1  0.240028  0.576817  0.349048  1
  P  P28  1  0.317229  0.465523  0.413328  1
  P  P29  1  0.345071  0.150520  0.365709  1
  P  P30  1  0.372968  0.835488  0.318074  1
  P  P31  1  0.271143  0.311049  0.335335  1
  P  P32  1  0.298240  0.995279  0.287912  1
  P  P33  1  0.243301  0.626052  0.382954  1
  P  P34  1  0.313956  0.416288  0.379421  1
  P  P35  1  0.341798  0.101285  0.331802  1
  P  P36  1  0.286114  0.731291  0.427040  1
  P  P37  1  0.133460  0.268035  0.341009  1
  P  P38  1  0.163740  0.953265  0.293461  1
  P  P39  1  0.105618  0.583038  0.388628  1
  P  P40  1  0.451640  0.459302  0.373747  1
  P  P41  1  0.479482  0.144299  0.326128  1
  P  P42  1  0.423798  0.774305  0.421366  1
  P  P43  1  0.308704  0.256706  0.357414  1
  P  P44  1  0.334908  0.942208  0.309512  1
  P  P45  1  0.280862  0.571709  0.405033  1
  P  P46  1  0.276396  0.470631  0.357342  1
  P  P47  1  0.304238  0.155628  0.309723  1
  P  P48  1  0.248554  0.785634  0.404961  1
  P  P49  1  0.801126  0.452113  0.400997  1
  P  P50  1  0.828968  0.137110  0.353377  1
  P  P51  1  0.856810  0.822107  0.305758  1
  P  P52  1  0.781829  0.274860  0.313529  1
  P  P53  1  0.728289  0.905230  0.408998  1
  P  P54  1  0.756131  0.590227  0.361379  1
  P  P55  1  0.951269  0.505412  0.311956  1
  P  P56  1  0.895538  0.135388  0.407209  1
  P  P57  1  0.923380  0.820385  0.359590  1
  P  P58  1  0.633878  0.221955  0.402785  1
  P  P59  1  0.661720  0.906952  0.355166  1
  P  P60  1  0.689562  0.591949  0.307547  1
  P  P61  1  0.894329  0.500856  0.423137  1
  P  P62  1  0.922171  0.185853  0.375518  1
  P  P63  1  0.950013  0.870850  0.327898  1
  P  P64  1  0.690805  0.227259  0.291868  1
  P  P65  1  0.635087  0.856487  0.386858  1
  P  P66  1  0.662929  0.541484  0.339239  1
  P  P67  1  0.986527  0.450925  0.410166  1
  P  P68  1  0.014369  0.135922  0.362547  1
  P  P69  1  0.042211  0.820919  0.314928  1
  P  P70  1  0.600730  0.276027  0.304557  1
  P  P71  1  0.542889  0.906418  0.399828  1
  P  P72  1  0.570731  0.591415  0.352209  1
  P  P73  1  0.989347  0.284653  0.561166  1
  P  P74  1  0.017189  0.969650  0.513547  1
  P  P75  1  0.045031  0.654647  0.465928  1
  P  P76  1  0.428700  0.332702  0.439304  1
  P  P77  1  0.373016  0.962708  0.534542  1
  P  P78  1  0.400858  0.647705  0.486923  1
  P  P79  1  0.923905  0.343094  0.453114  1
  P  P80  1  0.868221  0.973100  0.548352  1
  P  P81  1  0.896063  0.658097  0.500733  1
  P  P82  1  0.494143  0.274262  0.547356  1
  P  P83  1  0.521985  0.959259  0.499737  1
  P  P84  1  0.549827  0.644256  0.452118  1
  P  P85  1  0.862143  0.238110  0.564242  1
  P  P86  1  0.889985  0.923107  0.516623  1
  P  P87  1  0.917827  0.608104  0.469004  1
  P  P88  1  0.555905  0.379245  0.436229  1
  P  P89  1  0.500220  0.009251  0.531467  1
  P  P90  1  0.528063  0.694248  0.483848  1
  P  P91  1  0.817651  0.290154  0.538821  1
  P  P92  1  0.845493  0.975151  0.491202  1
  P  P93  1  0.873335  0.660148  0.443583  1
  P  P94  1  0.600397  0.327201  0.461650  1
  P  P95  1  0.544713  0.957207  0.556888  1
  P  P96  1  0.572555  0.642204  0.509269  1
  P  P97  1  0.184344  0.206823  0.444286  1
  P  P98  1  0.128660  0.836829  0.539524  1
  P  P99  1  0.156502  0.521826  0.491905  1
  P  P100  1  0.233703  0.410532  0.556185  1
  P  P101  1  0.261545  0.095529  0.508566  1
  P  P102  1  0.289387  0.780526  0.460947  1
  P  P103  1  0.187617  0.256058  0.478193  1
  P  P104  1  0.215459  0.941055  0.430574  1
  P  P105  1  0.159775  0.571061  0.525812  1
  P  P106  1  0.230430  0.361297  0.522278  1
  P  P107  1  0.258272  0.046294  0.474659  1
  P  P108  1  0.202588  0.676300  0.569897  1
  P  P109  1  0.049934  0.213044  0.483866  1
  P  P110  1  0.077776  0.898041  0.436247  1
  P  P111  1  0.022092  0.528047  0.531485  1
  P  P112  1  0.368114  0.404311  0.516604  1
  P  P113  1  0.395956  0.089308  0.468985  1
  P  P114  1  0.340272  0.719314  0.564223  1
  P  P115  1  0.225178  0.201715  0.500271  1
  P  P116  1  0.253020  0.886712  0.452652  1
  P  P117  1  0.197335  0.516718  0.547890  1
  P  P118  1  0.192870  0.415640  0.500200  1
  P  P119  1  0.220712  0.100637  0.452581  1
  P  P120  1  0.165028  0.730643  0.547819  1
  P  P121  1  0.717600  0.397122  0.543854  1
  P  P122  1  0.745442  0.082119  0.496235  1
  P  P123  1  0.773284  0.767116  0.448616  1
  P  P124  1  0.700447  0.220233  0.456617  1
  P  P125  1  0.644763  0.850239  0.551855  1
  P  P126  1  0.672605  0.535236  0.504236  1
  P  P127  1  0.867696  0.450391  0.454828  1
  P  P128  1  0.812012  0.080397  0.550066  1
  P  P129  1  0.839854  0.765394  0.502447  1
  P  P130  1  0.550351  0.166965  0.545642  1
  P  P131  1  0.578194  0.851961  0.498023  1
  P  P132  1  0.606036  0.536958  0.450404  1
  P  P133  1  0.810802  0.445866  0.565994  1
  P  P134  1  0.838644  0.130863  0.518375  1
  P  P135  1  0.866487  0.815859  0.470756  1
  P  P136  1  0.607245  0.171490  0.434477  1
  P  P137  1  0.551561  0.801496  0.529715  1
  P  P138  1  0.579403  0.486493  0.482096  1
  P  P139  1  0.903001  0.395934  0.553023  1
  P  P140  1  0.930843  0.080931  0.505404  1
  P  P141  1  0.958685  0.765928  0.457785  1
  P  P142  1  0.515047  0.221421  0.447447  1
  P  P143  1  0.459363  0.851427  0.542685  1
  P  P144  1  0.487205  0.536424  0.495066  1
  P  P145  1  0.903472  0.229360  0.703889  1
  P  P146  1  0.933663  0.914659  0.656404  1
  P  P147  1  0.961505  0.599656  0.608785  1
  P  P148  1  0.345174  0.277711  0.582161  1
  P  P149  1  0.289490  0.907717  0.677399  1
  P  P150  1  0.317332  0.592714  0.629780  1
  P  P151  1  0.840379  0.288103  0.595971  1
  P  P152  1  0.784694  0.918109  0.691209  1
  P  P153  1  0.812537  0.603106  0.643590  1
  P  P154  1  0.410527  0.219300  0.690228  1
  P  P155  1  0.438458  0.904268  0.642594  1
  P  P156  1  0.466300  0.589265  0.594975  1
  P  P157  1  0.779210  0.183895  0.706896  1
  P  P158  1  0.806459  0.868116  0.659480  1
  P  P159  1  0.834301  0.553113  0.611861  1
  P  P160  1  0.472378  0.324254  0.579086  1
  P  P161  1  0.416694  0.954261  0.674324  1
  P  P162  1  0.444536  0.639257  0.626705  1
  P  P163  1  0.735790  0.234720  0.682029  1
  P  P164  1  0.761966  0.920160  0.634059  1
  P  P165  1  0.789809  0.605157  0.586440  1
  P  P166  1  0.516871  0.272210  0.604507  1
  P  P167  1  0.461186  0.902216  0.699745  1
  P  P168  1  0.489028  0.587213  0.652126  1
  P  P169  1  0.100818  0.151832  0.587143  1
  P  P170  1  0.045079  0.781867  0.682396  1
  P  P171  1  0.072976  0.466835  0.634762  1
  P  P172  1  0.150177  0.355541  0.699042  1
  P  P173  1  0.178019  0.040538  0.651423  1
  P  P174  1  0.205861  0.725535  0.603804  1
  P  P175  1  0.104091  0.201067  0.621050  1
  P  P176  1  0.131933  0.886064  0.573431  1
  P  P177  1  0.076249  0.516070  0.668669  1
  P  P178  1  0.146904  0.306307  0.665135  1
  P  P179  1  0.174746  0.991304  0.617516  1
  P  P180  1  0.119807  0.622076  0.712558  1
  P  P181  1  0.966408  0.158054  0.626723  1
  P  P182  1  0.994250  0.843051  0.579104  1
  P  P183  1  0.938565  0.473057  0.674342  1
  P  P184  1  0.284587  0.349320  0.659461  1
  P  P185  1  0.312429  0.034317  0.611842  1
  P  P186  1  0.254308  0.664090  0.707009  1
  P  P187  1  0.141651  0.146724  0.643128  1
  P  P188  1  0.169493  0.831721  0.595509  1
  P  P189  1  0.113809  0.461727  0.690747  1
  P  P190  1  0.109344  0.360649  0.643057  1
  P  P191  1  0.137186  0.045646  0.595438  1
  P  P192  1  0.083140  0.675148  0.690958  1
  P  P193  1  0.636218  0.342495  0.686941  1
  P  P194  1  0.661916  0.027128  0.639092  1
  P  P195  1  0.689758  0.712125  0.591473  1
  P  P196  1  0.616921  0.165242  0.599474  1
  P  P197  1  0.561237  0.795248  0.694712  1
  P  P198  1  0.589079  0.480245  0.647093  1
  P  P199  1  0.784170  0.395400  0.597685  1
  P  P200  1  0.728486  0.025406  0.692923  1
  P  P201  1  0.756328  0.710403  0.645304  1
  P  P202  1  0.466778  0.111944  0.688515  1
  P  P203  1  0.494667  0.796971  0.640880  1
  P  P204  1  0.522509  0.481968  0.593261  1
  P  P205  1  0.727242  0.390096  0.708603  1
  P  P206  1  0.755118  0.075872  0.661232  1
  P  P207  1  0.782960  0.760869  0.613613  1
  P  P208  1  0.523719  0.116499  0.577334  1
  P  P209  1  0.468035  0.746505  0.672572  1
  P  P210  1  0.495877  0.431502  0.624953  1
  P  P211  1  0.817317  0.341328  0.695913  1
  P  P212  1  0.847317  0.025940  0.648261  1
  P  P213  1  0.875159  0.710937  0.600642  1
  P  P214  1  0.431520  0.166430  0.590304  1
  P  P215  1  0.375836  0.796436  0.685542  1
  P  P216  1  0.403678  0.481433  0.637923  1
