# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.99118193
_cell_length_b   14.42237215
_cell_length_c   46.27124485
_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   8002.15780367
_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  0.350738  0.100478  0.455877  1
  P  P2  1  0.384502  0.107157  0.763378  1
  P  P3  1  0.334957  0.601784  0.133939  1
  P  P4  1  0.356057  0.682654  0.457720  1
  P  P5  1  0.345334  0.679421  0.754154  1
  P  P6  1  0.865234  0.165545  0.128868  1
  P  P7  1  0.848414  0.102922  0.454413  1
  P  P8  1  0.894005  0.116263  0.761203  1
  P  P9  1  0.834934  0.605420  0.133559  1
  P  P10  1  0.834146  0.689727  0.446774  1
  P  P11  1  0.851741  0.678001  0.759711  1
  P  P12  1  0.351222  0.104306  0.940306  1
  P  P13  1  0.343126  0.109412  0.302426  1
  P  P14  1  0.302318  0.103866  0.692179  1
  P  P15  1  0.331867  0.657803  0.953024  1
  P  P16  1  0.325777  0.575756  0.307104  1
  P  P17  1  0.330434  0.707023  0.676934  1
  P  P18  1  0.852579  0.109563  0.938969  1
  P  P19  1  0.847888  0.107239  0.303180  1
  P  P20  1  0.811428  0.117227  0.688549  1
  P  P21  1  0.869839  0.670278  -0.030328  1
  P  P22  1  0.817748  0.568142  0.307355  1
  P  P23  1  0.837446  0.697798  0.683502  1
  P  P24  1  0.612335  0.266909  0.134937  1
  P  P25  1  0.591707  0.201226  0.456025  1
  P  P26  1  0.630726  0.187448  0.757624  1
  P  P27  1  0.581619  0.717099  0.134231  1
  P  P28  1  0.603698  0.754817  0.482747  1
  P  P29  1  0.591924  0.734977  0.779681  1
  P  P30  1  0.108722  0.267031  0.133808  1
  P  P31  1  1.094023  0.192989  0.455192  1
  P  P32  1  0.141509  0.198434  0.754067  1
  P  P33  1  1.080591  0.719082  0.135165  1
  P  P34  1  1.084532  0.737145  0.477345  1
  P  P35  1  0.104833  0.746457  0.780759  1
  P  P36  1  0.101406  0.199970  0.943048  1
  P  P37  1  1.095601  0.213446  0.300193  1
  P  P38  1  1.065309  0.203612  0.684519  1
  P  P39  1  0.101221  0.757992  0.946448  1
  P  P40  1  0.098483  0.711899  0.302980  1
  P  P41  1  1.076900  0.756708  0.648184  1
  P  P42  1  0.597852  0.192781  0.943999  1
  P  P43  1  0.593077  0.213574  0.301632  1
  P  P44  1  0.556885  0.185534  0.688624  1
  P  P45  1  0.624593  0.736511  0.944894  1
  P  P46  1  0.570062  0.701614  0.303400  1
  P  P47  1  0.587350  0.737820  0.652073  1
  P  P48  1  1.094176  0.493440  0.135444  1
  P  P49  1  0.215405  0.528696  0.489755  1
  P  P50  1  0.172201  0.528147  0.774811  1
  P  P51  1  0.279192  0.043993  0.169961  1
  P  P52  1  0.127592  0.971539  0.471664  1
  P  P53  1  0.143339  0.982709  0.772092  1
  P  P54  1  0.591789  0.493050  0.136227  1
  P  P55  1  0.693415  0.532808  0.481572  1
  P  P56  1  0.687018  0.533287  0.793839  1
  P  P57  1  0.776101  1.034568  0.178813  1
  P  P58  1  0.625780  0.984595  0.474013  1
  P  P59  1  0.640035  0.969685  0.774282  1
  P  P60  1  0.512713  0.536458  0.924130  1
  P  P61  1  0.576207  0.457098  0.305818  1
  P  P62  1  0.458338  0.521485  0.653554  1
  P  P63  1  0.612144  0.972610  0.943655  1
  P  P64  1  0.605994  0.981208  0.301105  1
  P  P65  1  0.517335  0.968397  0.660100  1
  P  P66  1  1.052475  0.536933  0.938125  1
  P  P67  1  1.077612  0.461176  0.305407  1
  P  P68  1  0.972762  0.543265  0.645338  1
  P  P69  1  0.113609  0.980743  0.943843  1
  P  P70  1  0.102517  0.982615  0.299649  1
  P  P71  1  1.017285  0.987958  0.658766  1
  P  P72  1  0.425318  0.245252  0.248159  1
  P  P73  1  0.428529  0.168130  0.629001  1
  P  P74  1  0.431234  0.205886  0.879108  1
  P  P75  1  0.385742  0.695517  0.251044  1
  P  P76  1  0.370254  0.765424  0.609591  1
  P  P77  1  0.443864  0.741671  0.892814  1
  P  P78  1  0.928376  0.243886  0.247272  1
  P  P79  1  0.922426  0.176259  0.624527  1
  P  P80  1  0.933695  0.218384  0.876908  1
  P  P81  1  0.896546  0.685976  0.253538  1
  P  P82  1  0.839589  0.737164  0.615199  1
  P  P83  1  0.921870  0.713694  0.896941  1
  P  P84  1  0.268324  0.252416  0.190662  1
  P  P85  1  0.231663  0.173441  0.514603  1
  P  P86  1  0.262426  0.193462  0.821918  1
  P  P87  1  0.221864  0.696138  0.192897  1
  P  P88  1  0.285098  0.742619  0.523665  1
  P  P89  1  0.301213  0.731323  0.828803  1
  P  P90  1  0.770100  0.251970  0.190350  1
  P  P91  1  0.737221  0.172079  0.514481  1
  P  P92  1  0.766689  0.177814  0.819071  1
  P  P93  1  0.723431  0.690851  0.192778  1
  P  P94  1  0.832944  0.712677  0.516015  1
  P  P95  1  0.796869  0.736698  0.826989  1
  P  P96  1  0.410275  0.470321  0.249691  1
  P  P97  1  0.355245  0.376828  0.605523  1
  P  P98  1  0.434695  0.428517  0.868976  1
  P  P99  1  0.466940  1.027823  0.245563  1
  P  P100  1  0.397384  0.983892  0.593511  1
  P  P101  1  0.445831  0.978183  0.888191  1
  P  P102  1  0.910940  0.465301  0.249502  1
  P  P103  1  0.849530  0.386130  0.601799  1
  P  P104  1  0.978135  0.470727  0.876365  1
  P  P105  1  0.959674  1.028238  0.243475  1
  P  P106  1  0.891020  0.963122  0.595763  1
  P  P107  1  0.946350  0.980152  0.888682  1
  P  P108  1  0.252726  0.475745  0.191721  1
  P  P109  1  0.319530  0.381013  0.535376  1
  P  P110  1  0.209009  0.427977  0.834045  1
  P  P111  1  0.335067  0.881342  0.213578  1
  P  P112  1  0.256907  0.966242  0.533631  1
  P  P113  1  0.274593  0.965281  0.832973  1
  P  P114  1  0.752277  0.473786  0.192174  1
  P  P115  1  0.814036  0.397373  0.531524  1
  P  P116  1  0.781425  0.386816  0.839468  1
  P  P117  1  0.846832  0.862363  0.215294  1
  P  P118  1  0.759630  0.946826  0.533874  1
  P  P119  1  0.777843  0.963474  0.833650  1
  P  P120  1  0.671446  0.348668  0.249492  1
  P  P121  1  0.607772  0.331141  0.635606  1
  P  P122  1  0.660121  0.334703  0.896341  1
  P  P123  1  0.608457  0.827420  0.247714  1
  P  P124  1  0.634460  0.880995  0.598845  1
  P  P125  1  0.702302  0.853833  0.889625  1
  P  P126  1  0.172231  0.348776  0.249016  1
  P  P127  1  0.100860  0.348206  0.631049  1
  P  P128  1  0.176097  0.336882  0.894744  1
  P  P129  1  0.107913  0.830257  0.246646  1
  P  P130  1  0.144573  0.893877  0.595010  1
  P  P131  1  0.205480  0.848817  0.890172  1
  P  P132  1  1.011296  0.366984  0.190974  1
  P  P133  1  1.064231  0.339874  0.505743  1
  P  P134  1  1.015246  0.298438  0.811545  1
  P  P135  1  1.078929  0.899010  0.180290  1
  P  P136  1  1.019784  0.865135  0.533322  1
  P  P137  1  1.031172  0.848336  0.837735  1
  P  P138  1  0.510216  0.369198  0.192065  1
  P  P139  1  0.565217  0.347431  0.506274  1
  P  P140  1  0.536416  0.307190  0.816486  1
  P  P141  1  0.575698  0.886891  0.181065  1
  P  P142  1  0.505985  0.872749  0.536994  1
  P  P143  1  0.534428  0.854963  0.834804  1
  P  P144  1  0.393235  0.335563  0.934234  1
  P  P145  1  0.332181  0.344381  0.306272  1
  P  P146  1  0.324575  0.318888  0.671155  1
  P  P147  1  0.363893  0.875370  0.947311  1
  P  P148  1  0.344239  0.880214  0.286624  1
  P  P149  1  0.268888  0.916297  0.655070  1
  P  P150  1  0.898022  0.340743  0.932661  1
  P  P151  1  0.835019  0.339411  0.305997  1
  P  P152  1  0.848265  0.339930  0.668435  1
  P  P153  1  0.860873  0.877303  0.946488  1
  P  P154  1  0.848586  0.879409  0.286456  1
  P  P155  1  0.775458  0.905403  0.658800  1
  P  P156  1  0.353507  0.374324  0.134668  1
  P  P157  1  0.330613  0.321133  0.469620  1
  P  P158  1  0.331440  0.342390  0.773871  1
  P  P159  1  0.335795  0.826322  0.146019  1
  P  P160  1  0.380265  0.891831  0.475916  1
  P  P161  1  0.385785  0.883817  0.776763  1
  P  P162  1  0.852148  0.382908  0.133791  1
  P  P163  1  0.828035  0.324488  0.467918  1
  P  P164  1  0.810972  0.345327  0.770791  1
  P  P165  1  0.835204  0.827972  0.146787  1
  P  P166  1  0.874557  0.890378  0.474055  1
  P  P167  1  0.896193  0.892497  0.777322  1
  P  P168  1  0.522307  0.137240  0.187990  1
  P  P169  1  0.481943  0.099291  0.517861  1
  P  P170  1  0.515843  0.080010  0.824519  1
  P  P171  1  0.481727  0.604541  0.191913  1
  P  P172  1  0.461263  0.567510  0.511602  1
  P  P173  1  0.422357  0.536917  0.805924  1
  P  P174  1  1.025470  0.135543  0.186218  1
  P  P175  1  0.981982  0.084134  0.515644  1
  P  P176  1  1.018681  0.075448  0.824968  1
  P  P177  1  0.982858  0.600076  0.191817  1
  P  P178  1  0.953031  0.532283  0.485817  1
  P  P179  1  0.949517  0.541944  0.810626  1
  P  P180  1  0.208832  0.094241  0.240710  1
  P  P181  1  0.180632  0.116135  0.623802  1
  P  P182  1  0.182905  0.097354  0.884172  1
  P  P183  1  0.150865  0.579624  0.249749  1
  P  P184  1  0.225081  0.568692  0.626858  1
  P  P185  1  0.243387  0.579446  0.890756  1
  P  P186  1  0.704830  0.109217  0.244231  1
  P  P187  1  0.680795  0.096646  0.625226  1
  P  P188  1  0.684567  0.098891  0.883909  1
  P  P189  1  0.649398  0.581164  0.250070  1
  P  P190  1  0.716026  0.540688  0.640466  1
  P  P191  1  0.777612  0.536646  0.920688  1
