# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.94853700
_cell_length_b   14.57987856
_cell_length_c   46.15853652
_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   8041.14527868
_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  0.426037  1.011482  0.056721  1
  P  P2  1  0.447956  0.159301  0.462638  1
  P  P3  1  0.331668  0.102179  0.819715  1
  P  P4  1  0.418729  0.789892  0.086122  1
  P  P5  1  0.369820  0.592423  0.461078  1
  P  P6  1  0.336058  0.661821  0.797834  1
  P  P7  1  0.954589  0.215936  0.062363  1
  P  P8  1  0.860813  0.199561  0.439942  1
  P  P9  1  0.829387  0.099392  0.822926  1
  P  P10  1  0.900646  0.660991  0.080410  1
  P  P11  1  0.869718  0.602061  0.462101  1
  P  P12  1  0.848309  0.666477  0.806710  1
  P  P13  1  0.313173  0.095444  -0.007828  1
  P  P14  1  0.358170  0.070847  0.302930  1
  P  P15  1  0.420062  0.106798  0.660852  1
  P  P16  1  0.358311  0.683119  0.004941  1
  P  P17  1  0.293198  0.632288  0.291750  1
  P  P18  1  0.345545  0.684806  0.657464  1
  P  P19  1  0.823069  0.108134  0.009753  1
  P  P20  1  0.861786  0.071386  0.302710  1
  P  P21  1  0.711836  0.059617  0.664560  1
  P  P22  1  0.866867  0.665978  0.008264  1
  P  P23  1  0.787722  0.642041  0.299479  1
  P  P24  1  0.844542  0.637494  0.645584  1
  P  P25  1  0.689972  0.260956  0.055946  1
  P  P26  1  0.650683  0.278398  0.489155  1
  P  P27  1  0.583597  0.190489  0.816548  1
  P  P28  1  0.691582  0.803808  0.098661  1
  P  P29  1  0.622704  0.719677  0.457960  1
  P  P30  1  0.576576  0.738159  0.820042  1
  P  P31  1  0.146061  0.059908  0.049909  1
  P  P32  1  0.128500  0.243458  0.475327  1
  P  P33  1  1.078248  0.199575  0.821357  1
  P  P34  1  0.138909  0.726194  0.113012  1
  P  P35  1  0.122655  0.689278  0.465162  1
  P  P36  1  1.092826  0.750208  0.813467  1
  P  P37  1  1.088179  0.215263  -0.001468  1
  P  P38  1  0.118113  0.173412  0.282928  1
  P  P39  1  0.151465  0.162322  0.644299  1
  P  P40  1  0.101044  0.723069  -0.022190  1
  P  P41  1  1.066165  0.754640  0.280635  1
  P  P42  1  1.085069  0.729584  0.625799  1
  P  P43  1  0.559572  0.152198  0.006304  1
  P  P44  1  0.617243  0.163735  0.284168  1
  P  P45  1  0.598032  0.269705  0.655794  1
  P  P46  1  0.624079  0.710848  -0.017877  1
  P  P47  1  0.540688  0.729729  0.290834  1
  P  P48  1  0.590409  0.700337  0.631181  1
  P  P49  1  0.134249  0.467899  0.464101  1
  P  P50  1  0.155162  0.534003  0.829675  1
  P  P51  1  0.231947  0.933290  0.102727  1
  P  P52  1  0.257616  0.050294  0.494701  1
  P  P53  1  1.080825  0.977662  0.817975  1
  P  P54  1  0.726986  0.582943  0.127625  1
  P  P55  1  0.629778  0.500331  0.470390  1
  P  P56  1  0.685778  0.532035  0.836729  1
  P  P57  1  0.735110  0.041098  0.079496  1
  P  P58  1  0.712827  0.057325  0.474972  1
  P  P59  1  0.580914  0.969230  0.819117  1
  P  P60  1  0.506575  0.512998  -0.014249  1
  P  P61  1  0.522211  0.502862  0.302934  1
  P  P62  1  0.499174  0.492546  0.636690  1
  P  P63  1  0.542621  0.930788  -0.006598  1
  P  P64  1  0.560199  0.949330  0.275502  1
  P  P65  1  0.514276  0.905028  0.646603  1
  P  P66  1  1.022730  0.508704  -0.020722  1
  P  P67  1  1.023242  0.532479  0.289345  1
  P  P68  1  0.960883  0.529163  0.589444  1
  P  P69  1  1.047019  0.990456  -0.011872  1
  P  P70  1  1.044444  0.968810  0.261980  1
  P  P71  1  0.954546  1.017809  0.622720  1
  P  P72  1  0.365635  0.257642  0.265446  1
  P  P73  1  0.391529  0.178731  0.596999  1
  P  P74  1  0.434964  0.192327  0.933860  1
  P  P75  1  0.406210  0.697634  0.228919  1
  P  P76  1  0.420535  0.590050  0.578294  1
  P  P77  1  0.404004  0.743753  0.938875  1
  P  P78  1  0.865045  0.244109  0.260352  1
  P  P79  1  0.876379  0.225856  0.639695  1
  P  P80  1  0.917180  0.152805  0.945628  1
  P  P81  1  0.893413  0.668691  0.236374  1
  P  P82  1  0.861158  0.739084  0.584613  1
  P  P83  1  0.872228  0.713728  0.938484  1
  P  P84  1  0.253873  0.148925  0.110251  1
  P  P85  1  0.336930  0.253167  0.523203  1
  P  P86  1  0.252055  0.205488  0.878810  1
  P  P87  1  0.335617  0.799708  0.156328  1
  P  P88  1  0.244979  0.700308  0.532183  1
  P  P89  1  0.265276  0.721279  0.866877  1
  P  P90  1  0.790249  0.216117  0.120425  1
  P  P91  1  0.889916  0.195657  0.510869  1
  P  P92  1  0.750280  0.199210  0.887179  1
  P  P93  1  0.886304  0.743874  0.148147  1
  P  P94  1  0.772079  0.694994  0.520317  1
  P  P95  1  0.753498  0.742971  0.872062  1
  P  P96  1  0.376442  0.475328  0.245246  1
  P  P97  1  0.326145  0.383421  0.579611  1
  P  P98  1  0.468735  0.414057  0.926062  1
  P  P99  1  0.453258  0.906841  0.210415  1
  P  P100  1  0.494982  0.981293  0.585447  1
  P  P101  1  0.412697  0.969959  0.932914  1
  P  P102  1  0.870986  0.450498  0.233123  1
  P  P103  1  0.846487  0.320640  0.575668  1
  P  P104  1  0.927085  0.361651  0.935841  1
  P  P105  1  0.902000  0.868891  0.209330  1
  P  P106  1  0.756047  0.940647  0.581999  1
  P  P107  1  0.917918  0.937263  0.928738  1
  P  P108  1  0.341127  0.352443  0.108283  1
  P  P109  1  0.277661  0.489988  0.520335  1
  P  P110  1  0.244455  0.437925  0.887411  1
  P  P111  1  0.290240  1.018447  0.167522  1
  P  P112  1  0.351876  0.895639  0.537517  1
  P  P113  1  0.248309  0.973701  0.873075  1
  P  P114  1  0.831282  0.398158  0.159121  1
  P  P115  1  0.791957  0.466555  0.526745  1
  P  P116  1  0.737120  0.421152  0.893305  1
  P  P117  1  0.789748  0.955793  0.144558  1
  P  P118  1  0.872743  0.958754  0.523379  1
  P  P119  1  0.743544  0.973952  0.876828  1
  P  P120  1  0.612203  0.353234  0.249634  1
  P  P121  1  0.587424  0.343857  0.591054  1
  P  P122  1  0.670326  0.292195  0.956028  1
  P  P123  1  0.663468  0.790722  0.231782  1
  P  P124  1  0.584470  0.775877  0.568674  1
  P  P125  1  0.653602  0.850454  0.930415  1
  P  P126  1  0.120121  0.369211  0.249032  1
  P  P127  1  1.086885  0.339180  0.607214  1
  P  P128  1  0.186603  0.306530  0.939977  1
  P  P129  1  0.180992  0.830070  0.216817  1
  P  P130  1  1.078351  0.877133  0.573775  1
  P  P131  1  0.171514  0.848563  0.925430  1
  P  P132  1  1.050652  0.308617  0.122150  1
  P  P133  1  1.060297  0.364075  0.532767  1
  P  P134  1  1.012395  0.341890  0.870580  1
  P  P135  1  1.068744  0.900549  0.156070  1
  P  P136  1  0.105515  0.865944  0.503840  1
  P  P137  1  1.001441  0.837055  0.871132  1
  P  P138  1  0.606799  0.385728  0.115132  1
  P  P139  1  0.526449  0.429716  0.530632  1
  P  P140  1  0.512233  0.318003  0.867281  1
  P  P141  1  0.609918  0.779137  0.163129  1
  P  P142  1  0.612747  0.878088  0.508284  1
  P  P143  1  0.488166  0.852957  0.875316  1
  P  P144  1  0.378496  0.320126  -0.012283  1
  P  P145  1  0.258451  0.416576  0.305727  1
  P  P146  1  0.330225  0.326408  0.647148  1
  P  P147  1  0.281494  0.883476  -0.010015  1
  P  P148  1  0.313193  0.857658  0.275620  1
  P  P149  1  0.332411  0.786374  0.598193  1
  P  P150  1  0.860334  0.335756  0.004808  1
  P  P151  1  0.779495  0.422791  0.297669  1
  P  P152  1  0.773624  0.430656  0.635327  1
  P  P153  1  0.807613  0.881845  -0.011434  1
  P  P154  1  0.819624  0.855984  0.282330  1
  P  P155  1  0.786767  0.854646  0.643975  1
  P  P156  1  0.344674  0.223831  0.049424  1
  P  P157  1  0.395385  0.373512  0.467942  1
  P  P158  1  0.297075  0.337297  0.825014  1
  P  P159  1  0.508180  0.957724  0.125517  1
  P  P160  1  0.363838  0.808393  0.475558  1
  P  P161  1  0.333935  0.872293  0.815898  1
  P  P162  1  0.852949  0.417696  0.087256  1
  P  P163  1  0.895468  0.383250  0.472032  1
  P  P164  1  0.796829  0.323098  0.830045  1
  P  P165  1  0.950732  0.880213  0.091157  1
  P  P166  1  0.862436  0.829279  0.468654  1
  P  P167  1  0.831945  0.876915  0.817475  1
  P  P168  1  0.522312  0.171275  0.101943  1
  P  P169  1  0.523359  0.088233  0.525464  1
  P  P170  1  0.503254  0.085673  0.875974  1
  P  P171  1  0.466216  0.622152  0.127458  1
  P  P172  1  0.507212  0.651494  0.515965  1
  P  P173  1  0.426542  0.536892  0.849784  1
  P  P174  1  1.002001  0.077886  0.115842  1
  P  P175  1  0.998882  0.036947  0.467444  1
  P  P176  1  0.998090  0.083420  0.877973  1
  P  P177  1  1.004144  0.539091  0.131888  1
  P  P178  1  1.017641  0.582771  0.520598  1
  P  P179  1  0.936999  0.577233  0.866829  1
  P  P180  1  0.279826  0.049254  0.238547  1
  P  P181  1  0.253012  0.982162  0.618048  1
  P  P182  1  0.171119  0.077746  0.933482  1
  P  P183  1  0.152639  0.598647  0.233043  1
  P  P184  1  0.217577  0.533499  0.621678  1
  P  P185  1  0.267689  0.544071  0.951783  1
  P  P186  1  0.767555  1.031149  0.239814  1
  P  P187  1  0.672557  0.137885  0.602573  1
  P  P188  1  0.668850  0.066165  0.944106  1
  P  P189  1  0.638836  0.571747  0.245331  1
  P  P190  1  0.687551  0.560398  0.582132  1
  P  P191  1  0.756476  0.513391  0.961281  1
