# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.98583039
_cell_length_b   14.61936824
_cell_length_c   46.08727382
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.20433592
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P191
_cell_volume   8075.60355948
_cell_formula_units_Z   191
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  0.380684  0.077217  0.158763  1
  P  P2  1  0.450955  0.129239  0.391580  1
  P  P3  1  0.335062  0.193622  0.751664  1
  P  P4  1  0.303612  0.636693  0.150100  1
  P  P5  1  0.517059  0.659323  0.387862  1
  P  P6  1  0.385557  0.620717  0.759033  1
  P  P7  1  0.890352  0.072603  0.130470  1
  P  P8  1  0.904526  0.100136  0.392586  1
  P  P9  1  0.790407  0.108180  0.754519  1
  P  P10  1  0.842456  0.672085  0.165072  1
  P  P11  1  0.902800  0.694184  0.382366  1
  P  P12  1  0.803742  0.642473  0.741064  1
  P  P13  1  0.322394  0.162422  -0.004636  1
  P  P14  1  0.298612  0.119709  0.333462  1
  P  P15  1  0.369646  0.125279  0.685327  1
  P  P16  1  0.328234  0.595259  -0.019719  1
  P  P17  1  0.299913  0.662080  0.348796  1
  P  P18  1  0.343144  0.666575  0.687037  1
  P  P19  1  0.845074  0.167992  0.010703  1
  P  P20  1  0.786295  0.127484  0.332748  1
  P  P21  1  0.768230  0.081288  0.683157  1
  P  P22  1  0.827414  0.590396  -0.019047  1
  P  P23  1  0.757122  0.666706  0.328039  1
  P  P24  1  0.827898  0.666216  0.669791  1
  P  P25  1  0.690791  0.263231  0.388521  1
  P  P26  1  0.599678  0.266751  0.760139  1
  P  P27  1  0.555363  0.684503  0.183170  1
  P  P28  1  0.716663  0.650974  0.432104  1
  P  P29  1  0.600629  0.728117  0.784776  1
  P  P30  1  0.116813  0.180403  0.146899  1
  P  P31  1  0.163873  0.197346  0.389493  1
  P  P32  1  1.034933  0.191356  0.778545  1
  P  P33  1  1.096711  0.752815  0.181685  1
  P  P34  1  0.176476  0.739080  0.404606  1
  P  P35  1  0.123647  0.694913  0.772304  1
  P  P36  1  1.074398  0.243981  -0.024907  1
  P  P37  1  1.027326  0.227439  0.331533  1
  P  P38  1  0.150632  0.174831  0.643605  1
  P  P39  1  1.074038  0.696395  -0.018205  1
  P  P40  1  1.064611  0.753968  0.334034  1
  P  P41  1  1.091545  0.752914  0.651639  1
  P  P42  1  0.598234  0.227157  -0.020536  1
  P  P43  1  0.537164  0.235981  0.331456  1
  P  P44  1  0.596239  0.244625  0.669626  1
  P  P45  1  0.577037  0.695223  -0.019448  1
  P  P46  1  0.541999  0.792904  0.333395  1
  P  P47  1  0.571860  0.715265  0.653852  1
  P  P48  1  0.149586  0.511833  0.191977  1
  P  P49  1  0.285657  0.542332  0.419047  1
  P  P50  1  0.214779  0.520205  0.808030  1
  P  P51  1  0.130023  0.973393  0.166141  1
  P  P52  1  0.241493  0.994752  0.402099  1
  P  P53  1  0.219245  0.041184  0.793741  1
  P  P54  1  0.628205  0.361079  0.160626  1
  P  P55  1  0.748874  0.503997  0.377067  1
  P  P56  1  0.648069  0.498489  0.774974  1
  P  P57  1  0.606300  0.912076  0.169545  1
  P  P58  1  0.737744  0.861999  0.399053  1
  P  P59  1  0.672900  0.941658  0.804741  1
  P  P60  1  0.577031  0.470075  -0.017839  1
  P  P61  1  0.514784  0.562565  0.322409  1
  P  P62  1  0.515830  0.494969  0.650104  1
  P  P63  1  0.464571  1.027924  0.955921  1
  P  P64  1  0.565253  1.009309  0.341788  1
  P  P65  1  0.500654  0.956000  0.651805  1
  P  P66  1  1.076500  0.474807  -0.018115  1
  P  P67  1  0.966260  0.524510  0.329399  1
  P  P68  1  0.983282  0.562250  0.625176  1
  P  P69  1  0.987935  1.021830  -0.026794  1
  P  P70  1  1.063336  1.015929  0.340804  1
  P  P71  1  0.959727  1.016065  0.635546  1
  P  P72  1  0.383497  0.198626  0.271433  1
  P  P73  1  0.416660  0.166769  0.619027  1
  P  P74  1  0.399217  0.244890  0.932420  1
  P  P75  1  0.357950  0.750521  0.284763  1
  P  P76  1  0.462476  0.618842  0.593107  1
  P  P77  1  0.422508  0.688710  0.918754  1
  P  P78  1  0.890820  0.222556  0.270804  1
  P  P79  1  0.866224  0.232304  0.635774  1
  P  P80  1  0.839245  0.190136  0.941631  1
  P  P81  1  0.894294  0.777183  0.279121  1
  P  P82  1  0.880168  0.758298  0.606175  1
  P  P83  1  0.910112  0.700984  0.920753  1
  P  P84  1  0.232676  0.148621  0.210929  1
  P  P85  1  0.322844  0.182512  0.449362  1
  P  P86  1  0.266305  0.258001  0.814476  1
  P  P87  1  0.308527  0.679256  0.218616  1
  P  P88  1  0.397247  0.741847  0.445883  1
  P  P89  1  0.337026  0.731529  0.817302  1
  P  P90  1  0.663559  0.131111  0.168080  1
  P  P91  1  0.847048  0.211986  0.447811  1
  P  P92  1  0.762033  0.193806  0.815127  1
  P  P93  1  0.760943  0.786588  0.218686  1
  P  P94  1  0.936074  0.757895  0.448161  1
  P  P95  1  0.744270  0.637289  0.833758  1
  P  P96  1  0.437669  0.531830  0.257373  1
  P  P97  1  0.371030  0.399039  0.595271  1
  P  P98  1  0.418338  0.471104  0.925503  1
  P  P99  1  0.403165  0.977929  0.285061  1
  P  P100  1  0.377557  0.967069  0.589945  1
  P  P101  1  0.357939  0.898482  0.907425  1
  P  P102  1  0.851587  0.440749  0.260737  1
  P  P103  1  0.861750  0.400531  0.589275  1
  P  P104  1  0.914956  0.471313  0.926134  1
  P  P105  1  0.899176  1.009094  0.281548  1
  P  P106  1  0.826153  0.949827  0.580211  1
  P  P107  1  0.862520  0.932916  0.917651  1
  P  P108  1  0.280381  0.370822  0.236188  1
  P  P109  1  0.358124  0.392502  0.468813  1
  P  P110  1  0.311975  0.411527  0.863147  1
  P  P111  1  0.258208  0.923363  0.226418  1
  P  P112  1  0.409133  0.974442  0.457454  1
  P  P113  1  0.372771  0.943990  0.840909  1
  P  P114  1  0.756864  0.271138  0.216533  1
  P  P115  1  0.794642  0.421748  0.441045  1
  P  P116  1  0.764937  0.415664  0.832193  1
  P  P117  1  0.745080  1.006007  0.222573  1
  P  P118  1  0.871725  0.971281  0.454049  1
  P  P119  1  0.833896  0.842087  0.854417  1
  P  P120  1  0.596486  0.352999  0.272410  1
  P  P121  1  0.620345  0.328105  0.608718  1
  P  P122  1  0.663131  0.362188  0.926231  1
  P  P123  1  0.662688  0.902456  0.281957  1
  P  P124  1  0.599766  0.830005  0.596525  1
  P  P125  1  0.617269  0.839325  0.929423  1
  P  P126  1  1.089580  0.368879  0.283276  1
  P  P127  1  0.106592  0.370581  0.618947  1
  P  P128  1  0.172164  0.370828  0.924104  1
  P  P129  1  0.139114  0.894554  0.286662  1
  P  P130  1  0.107035  0.881051  0.594112  1
  P  P131  1  0.107994  0.853482  0.936050  1
  P  P132  1  1.036838  0.313234  0.212465  1
  P  P133  1  0.121096  0.343043  0.439591  1
  P  P134  1  1.027490  0.360363  0.823601  1
  P  P135  1  0.995788  0.905735  0.226428  1
  P  P136  1  0.155497  0.883838  0.458070  1
  P  P137  1  0.112981  0.854330  0.821659  1
  P  P138  1  0.492784  0.261358  0.210654  1
  P  P139  1  0.572869  0.267259  0.448650  1
  P  P140  1  0.526878  0.322683  0.825711  1
  P  P141  1  0.501279  0.835417  0.230678  1
  P  P142  1  0.634152  0.849605  0.460199  1
  P  P143  1  0.561503  0.790789  0.854054  1
  P  P144  1  0.321517  0.374848  -0.015463  1
  P  P145  1  0.350104  0.385225  0.308407  1
  P  P146  1  0.336388  0.334241  0.659604  1
  P  P147  1  0.342926  0.818349  -0.028844  1
  P  P148  1  0.295823  0.887288  0.344078  1
  P  P149  1  0.337800  0.781385  0.625446  1
  P  P150  1  0.826276  0.367637  -0.016459  1
  P  P151  1  0.790838  0.351287  0.324772  1
  P  P152  1  0.782116  0.432759  0.656160  1
  P  P153  1  0.835608  0.814290  -0.024316  1
  P  P154  1  0.833277  0.890199  0.337737  1
  P  P155  1  0.756207  0.884313  0.651097  1
  P  P156  1  0.299514  0.316207  0.166691  1
  P  P157  1  0.376687  0.336899  0.398809  1
  P  P158  1  0.394298  0.404896  0.772358  1
  P  P159  1  0.355154  0.843704  0.168228  1
  P  P160  1  0.476060  0.884670  0.397464  1
  P  P161  1  0.425570  0.897876  0.776821  1
  P  P162  1  0.874782  0.276821  0.153373  1
  P  P163  1  0.939806  0.339087  0.387409  1
  P  P164  1  0.848324  0.345074  0.768556  1
  P  P165  1  0.874950  0.893275  0.165545  1
  P  P166  1  1.005299  0.897958  0.396389  1
  P  P167  1  0.877022  0.783562  0.789882  1
  P  P168  1  0.483878  0.048075  0.220563  1
  P  P169  1  0.650864  0.057858  0.427475  1
  P  P170  1  0.491456  0.110138  0.802454  1
  P  P171  1  0.431529  0.487808  0.189338  1
  P  P172  1  0.545471  0.480719  0.427506  1
  P  P173  1  0.486442  0.550614  0.825618  1
  P  P174  1  0.953517  0.110881  0.199926  1
  P  P175  1  1.080870  0.099922  0.448482  1
  P  P176  1  0.930317  1.006258  0.806630  1
  P  P177  1  0.861930  0.465681  0.189543  1
  P  P178  1  1.005297  0.539969  0.419503  1
  P  P179  1  0.933839  0.547099  0.792987  1
  P  P180  1  0.133576  0.116014  0.273949  1
  P  P181  1  0.227908  0.967662  0.649398  1
  P  P182  1  0.210614  0.072162  0.938547  1
  P  P183  1  0.202517  0.568703  0.290135  1
  P  P184  1  0.254453  0.557564  0.633716  1
  P  P185  1  0.163796  0.594223  0.925059  1
  P  P186  1  0.639023  0.129623  0.273914  1
  P  P187  1  0.672377  0.084757  0.618224  1
  P  P188  1  0.718299  1.015139  -0.028290  1
  P  P189  1  0.623767  0.682013  0.268696  1
  P  P190  1  0.714936  0.582478  0.608873  1
  P  P191  1  0.668637  0.590595  0.924310  1
