# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.94834764
_cell_length_b   14.74943094
_cell_length_c   46.11105125
_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   8126.16013807
_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  0.368961  0.218883  0.110849  1
  P  P2  1  0.463214  0.062405  0.428147  1
  P  P3  1  0.358668  0.120894  0.786597  1
  P  P4  1  0.429561  0.585014  0.090603  1
  P  P5  1  0.386605  0.651297  0.451152  1
  P  P6  1  0.308872  0.581793  0.772128  1
  P  P7  1  0.928344  0.129262  0.101684  1
  P  P8  1  0.818237  0.131917  0.424107  1
  P  P9  1  0.837197  0.146777  0.779192  1
  P  P10  1  0.911255  0.688133  0.083819  1
  P  P11  1  0.842612  0.658100  0.428561  1
  P  P12  1  0.833503  0.597415  0.781099  1
  P  P13  1  0.327766  0.194873  0.017179  1
  P  P14  1  0.425497  0.111169  0.243642  1
  P  P15  1  0.364899  0.142985  0.680396  1
  P  P16  1  0.286683  0.575045  0.020086  1
  P  P17  1  0.330459  0.720536  0.293045  1
  P  P18  1  0.374979  0.625874  0.689538  1
  P  P19  1  0.768392  0.127997  -0.001103  1
  P  P20  1  0.869813  0.070225  0.283953  1
  P  P21  1  0.751481  0.054129  0.678547  1
  P  P22  1  0.745568  0.673888  0.030039  1
  P  P23  1  0.787382  0.626525  0.274195  1
  P  P24  1  0.771461  0.637734  0.650552  1
  P  P25  1  0.582776  0.201017  0.156743  1
  P  P26  1  0.598408  0.245695  0.442332  1
  P  P27  1  0.600505  0.210032  0.806774  1
  P  P28  1  0.633063  0.745295  0.091261  1
  P  P29  1  0.625995  0.726512  0.465330  1
  P  P30  1  0.562463  0.611979  0.797040  1
  P  P31  1  0.122463  0.226020  0.137991  1
  P  P32  1  1.043830  0.191507  0.462111  1
  P  P33  1  1.087334  0.209854  0.805074  1
  P  P34  1  0.198727  0.686527  0.075078  1
  P  P35  1  0.131720  0.742124  0.464613  1
  P  P36  1  1.077706  0.651260  0.808112  1
  P  P37  1  0.962448  0.274073  -0.025529  1
  P  P38  1  0.151316  0.155439  0.267700  1
  P  P39  1  0.152733  0.189412  0.637357  1
  P  P40  1  1.030455  0.715808  0.020600  1
  P  P41  1  1.066586  0.693684  0.276295  1
  P  P42  1  1.015330  0.754275  0.646642  1
  P  P43  1  0.532808  0.188899  -0.028942  1
  P  P44  1  0.638519  0.191244  0.280646  1
  P  P45  1  0.599729  0.220439  0.657715  1
  P  P46  1  0.477287  0.720445  0.034846  1
  P  P47  1  0.580260  0.778397  0.262631  1
  P  P48  1  0.541216  0.740341  0.644000  1
  P  P49  1  0.238014  0.423856  0.113280  1
  P  P50  1  0.217278  0.548142  0.491180  1
  P  P51  1  0.243185  0.483354  0.833331  1
  P  P52  1  0.198441  0.034577  0.106939  1
  P  P53  1  0.231368  1.025585  0.468928  1
  P  P54  1  0.210939  0.056521  0.842806  1
  P  P55  1  0.707445  0.540191  0.093430  1
  P  P56  1  0.676058  0.515198  0.466314  1
  P  P57  1  0.704621  0.424299  0.814080  1
  P  P58  1  0.703716  1.008462  0.175794  1
  P  P59  1  0.688135  0.953265  0.456268  1
  P  P60  1  0.678298  0.991117  0.810833  1
  P  P61  1  0.448489  0.384534  0.001967  1
  P  P62  1  0.522948  0.569965  0.281000  1
  P  P63  1  0.520451  0.519400  0.640748  1
  P  P64  1  0.483716  0.991695  0.003071  1
  P  P65  1  0.659744  0.987911  0.246245  1
  P  P66  1  0.513903  0.961828  0.654601  1
  P  P67  1  0.926819  0.505090  0.010012  1
  P  P68  1  0.988439  0.487759  0.269381  1
  P  P69  1  0.977993  0.538315  0.621456  1
  P  P70  1  0.952331  0.046526  0.957968  1
  P  P71  1  1.086039  0.936966  0.276264  1
  P  P72  1  0.974592  1.011846  0.640204  1
  P  P73  1  0.416865  0.126709  0.613154  1
  P  P74  1  0.295818  0.272071  0.951812  1
  P  P75  1  0.395316  0.678577  0.223711  1
  P  P76  1  0.445067  0.673774  0.581488  1
  P  P77  1  0.357597  0.711037  -0.030154  1
  P  P78  1  1.027622  0.205276  0.205698  1
  P  P79  1  0.858300  0.212077  0.634279  1
  P  P80  1  0.757058  0.230554  0.931472  1
  P  P81  1  0.924038  0.633972  0.211966  1
  P  P82  1  0.874376  0.715966  0.589596  1
  P  P83  1  0.848661  0.675416  -0.032230  1
  P  P84  1  0.338810  0.303158  0.176783  1
  P  P85  1  0.343056  0.224712  0.468641  1
  P  P86  1  0.334721  0.259478  0.837231  1
  P  P87  1  0.308416  0.705567  0.140589  1
  P  P88  1  0.335944  0.740221  0.514723  1
  P  P89  1  0.336972  0.697220  0.830730  1
  P  P90  1  0.851265  0.260825  0.156276  1
  P  P91  1  0.781788  0.161119  0.490011  1
  P  P92  1  0.726238  0.098717  0.873985  1
  P  P93  1  0.802516  0.697520  0.146765  1
  P  P94  1  0.726434  0.660246  0.528482  1
  P  P95  1  0.764763  0.624697  0.846021  1
  P  P96  1  0.428067  0.455648  0.227591  1
  P  P97  1  0.407842  0.459360  0.579266  1
  P  P98  1  0.340671  0.499971  0.952244  1
  P  P99  1  0.454777  0.907980  0.206961  1
  P  P100  1  0.399915  0.898847  0.593717  1
  P  P101  1  0.397747  0.907898  0.944876  1
  P  P102  1  0.874465  0.401700  0.214724  1
  P  P103  1  0.874483  0.370745  0.586128  1
  P  P104  1  0.837770  0.461596  0.947113  1
  P  P105  1  0.921300  1.008902  0.221448  1
  P  P106  1  0.879235  0.933929  0.581876  1
  P  P107  1  0.853589  0.858519  0.932524  1
  P  P108  1  0.317834  0.519157  0.170425  1
  P  P109  1  0.318885  0.370749  0.520611  1
  P  P110  1  0.339442  0.387760  0.892592  1
  P  P111  1  0.242572  0.897328  0.162182  1
  P  P112  1  0.341126  0.955349  0.528351  1
  P  P113  1  0.352030  0.880100  0.872916  1
  P  P114  1  0.815854  0.489825  0.154759  1
  P  P115  1  0.788386  0.440449  0.525107  1
  P  P116  1  0.784374  0.423957  0.881550  1
  P  P117  1  0.967849  0.830992  0.181234  1
  P  P118  1  0.810087  0.966471  0.517983  1
  P  P119  1  0.788897  0.888034  0.867409  1
  P  P120  1  0.674221  0.399237  0.259819  1
  P  P121  1  0.607491  0.324511  0.597994  1
  P  P122  1  0.568822  0.389683  0.934453  1
  P  P123  1  0.705370  0.801240  0.202202  1
  P  P124  1  0.645484  0.823497  0.584883  1
  P  P125  1  0.613406  0.800228  -0.022435  1
  P  P126  1  0.172593  0.358400  0.235460  1
  P  P127  1  0.148417  0.376373  0.598633  1
  P  P128  1  1.096087  0.409566  0.929790  1
  P  P129  1  0.172567  0.805502  0.225147  1
  P  P130  1  0.123189  0.863066  0.592262  1
  P  P131  1  1.097730  0.838748  0.965524  1
  P  P132  1  1.077370  0.411268  0.171336  1
  P  P133  1  1.051228  0.372152  0.502472  1
  P  P134  1  1.096064  0.314624  0.866257  1
  P  P135  1  1.073536  0.831000  0.115478  1
  P  P136  1  1.090027  0.884641  0.516210  1
  P  P137  1  0.122956  0.853196  0.831689  1
  P  P138  1  0.622488  0.382264  0.189108  1
  P  P139  1  0.578632  0.324173  0.504570  1
  P  P140  1  0.580821  0.291421  0.869478  1
  P  P141  1  0.543803  0.829768  0.147685  1
  P  P142  1  0.580064  0.853531  0.519076  1
  P  P143  1  0.581247  0.795990  0.835808  1
  P  P144  1  0.168037  0.394023  -0.001595  1
  P  P145  1  0.395147  0.306347  0.274527  1
  P  P146  1  0.368741  0.332243  0.638020  1
  P  P147  1  0.270685  0.845955  0.019382  1
  P  P148  1  0.351023  0.915189  0.267903  1
  P  P149  1  0.284085  0.766331  0.640676  1
  P  P150  1  0.714062  0.348092  -0.005764  1
  P  P151  1  0.915241  0.274073  0.268610  1
  P  P152  1  0.759082  0.416145  0.647446  1
  P  P153  1  0.849203  0.883232  -0.000238  1
  P  P154  1  0.869796  0.825202  0.254508  1
  P  P155  1  0.774957  0.862223  0.644247  1
  P  P156  1  0.508343  0.404122  0.127169  1
  P  P157  1  0.425858  0.431877  0.457821  1
  P  P158  1  0.450314  0.405049  0.796806  1
  P  P159  1  0.363945  0.853387  0.092516  1
  P  P160  1  0.420471  0.874738  0.463153  1
  P  P161  1  0.379359  0.911477  0.806146  1
  P  P162  1  0.967720  0.390623  0.107084  1
  P  P163  1  0.840118  0.345815  0.459584  1
  P  P164  1  0.850178  0.254011  0.839292  1
  P  P165  1  0.814470  0.898556  0.123204  1
  P  P166  1  0.873280  0.786572  0.483876  1
  P  P167  1  0.858803  0.802262  0.808754  1
  P  P168  1  0.436416  0.028711  0.143897  1
  P  P169  1  0.526753  0.078261  0.494059  1
  P  P170  1  0.477192  0.068155  0.850231  1
  P  P171  1  0.560142  0.605128  0.152785  1
  P  P172  1  0.491200  0.554209  0.515975  1
  P  P173  1  0.518638  0.510996  0.857687  1
  P  P174  1  1.007187  0.031413  0.157200  1
  P  P175  1  0.963761  0.982186  0.460387  1
  P  P176  1  0.940218  0.029324  0.830365  1
  P  P177  1  1.060694  0.600638  0.135682  1
  P  P178  1  0.940046  0.568259  0.484335  1
  P  P179  1  0.963447  0.462640  0.828013  1
  P  P180  1  0.198388  1.024296  0.215137  1
  P  P181  1  0.240503  0.981991  0.645218  1
  P  P182  1  0.226992  0.037098  -0.021942  1
  P  P183  1  0.256631  0.521914  0.276261  1
  P  P184  1  0.256464  0.553489  0.630041  1
  P  P185  1  0.105854  0.600515  0.965484  1
  P  P186  1  0.747326  0.191113  0.218320  1
  P  P187  1  0.682864  0.055673  0.611120  1
  P  P188  1  0.669079  1.006120  0.948364  1
  P  P189  1  0.656771  0.585023  0.216651  1
  P  P190  1  0.686839  0.545506  0.587796  1
  P  P191  1  0.594442  0.566252  -0.018465  1
