# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.48257470
_cell_length_b   23.29547749
_cell_length_c   47.81224803
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P252
_cell_volume   14784.1789981
_cell_formula_units_Z   252
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  0.082399  0.751347  0.297791  1
  P  P2  1  0.745715  0.584631  0.298334  1
  P  P3  1  0.690407  0.729093  0.313003  1
  P  P4  1  0.082560  0.252752  0.297715  1
  P  P5  1  0.022877  0.396405  0.313026  1
  P  P6  1  0.961693  0.537759  0.328325  1
  P  P7  1  0.418536  0.419980  0.298752  1
  P  P8  1  0.363031  0.561078  0.313902  1
  P  P9  1  0.295721  0.704331  0.328739  1
  P  P10  1  0.749127  0.085488  0.297654  1
  P  P11  1  0.690182  0.229167  0.313029  1
  P  P12  1  0.629385  0.371012  0.329232  1
  P  P13  1  0.023609  0.895481  0.313024  1
  P  P14  1  0.962672  0.038066  0.328412  1
  P  P15  1  0.415663  0.918641  0.297713  1
  P  P16  1  0.356792  0.062433  0.313000  1
  P  P17  1  0.295759  0.205116  0.328463  1
  P  P18  1  0.629497  0.871407  0.328532  1
  P  P19  1  0.915205  0.667584  0.297809  1
  P  P20  1  0.472271  0.471040  0.359656  1
  P  P21  1  0.522836  0.647717  0.313475  1
  P  P22  1  0.915945  0.168981  0.297669  1
  P  P23  1  0.856469  0.312777  0.312927  1
  P  P24  1  0.793077  0.455098  0.328250  1
  P  P25  1  0.249699  0.336590  0.297834  1
  P  P26  1  0.191722  0.479469  0.313136  1
  P  P27  1  0.130840  0.620500  0.328327  1
  P  P28  1  0.582400  1.002034  0.297641  1
  P  P29  1  0.523340  0.145856  0.312923  1
  P  P30  1  0.462478  0.288376  0.328535  1
  P  P31  1  0.857136  0.812043  0.312990  1
  P  P32  1  0.796047  0.954668  0.328424  1
  P  P33  1  0.249056  0.835035  0.297853  1
  P  P34  1  0.190209  0.978966  0.313076  1
  P  P35  1  0.129335  0.121560  0.328466  1
  P  P36  1  0.462384  0.788492  0.328794  1
  P  P37  1  0.972468  0.721109  0.358275  1
  P  P38  1  0.637040  0.554873  0.358204  1
  P  P39  1  0.580215  0.698874  0.374493  1
  P  P40  1  0.972431  0.221942  0.358310  1
  P  P41  1  0.913023  0.365811  0.373949  1
  P  P42  1  0.853300  0.508736  0.389698  1
  P  P43  1  0.305719  0.388511  0.358642  1
  P  P44  1  0.247211  0.532135  0.374450  1
  P  P45  1  0.186982  0.675221  0.390063  1
  P  P46  1  0.638903  0.055050  0.358280  1
  P  P47  1  0.580161  0.198704  0.374120  1
  P  P48  1  0.520776  0.341627  0.390243  1
  P  P49  1  0.913517  0.865144  0.374178  1
  P  P50  1  0.854130  0.008569  0.389836  1
  P  P51  1  0.305385  0.888464  0.358557  1
  P  P52  1  0.246962  0.032027  0.374268  1
  P  P53  1  0.187398  0.175390  0.389946  1
  P  P54  1  0.520935  0.842074  0.390151  1
  P  P55  1  0.804648  0.638058  0.358367  1
  P  P56  1  0.360482  0.440934  0.420547  1
  P  P57  1  0.413506  0.615669  0.374774  1
  P  P58  1  0.805796  0.138397  0.358337  1
  P  P59  1  0.747290  0.281822  0.374356  1
  P  P60  1  0.687649  0.425391  0.390292  1
  P  P61  1  0.138798  0.305461  0.358380  1
  P  P62  1  0.080230  0.448946  0.374230  1
  P  P63  1  0.020431  0.591801  0.389837  1
  P  P64  1  0.472239  0.971633  0.358360  1
  P  P65  1  0.413466  0.115408  0.374138  1
  P  P66  1  0.353829  0.258654  0.389983  1
  P  P67  1  0.747059  0.781887  0.374233  1
  P  P68  1  0.687550  0.925289  0.389930  1
  P  P69  1  0.138862  0.804915  0.358481  1
  P  P70  1  0.080108  0.948616  0.374244  1
  P  P71  1  0.020902  0.091926  0.389851  1
  P  P72  1  0.353939  0.758719  0.390154  1
  P  P73  1  0.860611  0.690741  0.420103  1
  P  P74  1  0.527364  0.524447  0.420584  1
  P  P75  1  0.468918  0.668308  0.436328  1
  P  P76  1  0.861035  0.190728  0.420101  1
  P  P77  1  0.802256  0.334717  0.435958  1
  P  P78  1  0.743430  0.478643  0.451894  1
  P  P79  1  0.193941  0.357674  0.420228  1
  P  P80  1  0.135287  0.501535  0.436074  1
  P  P81  1  0.076414  0.645089  0.451800  1
  P  P82  1  0.527291  0.024089  0.420024  1
  P  P83  1  0.468845  0.168076  0.435861  1
  P  P84  1  0.409895  0.311762  0.451820  1
  P  P85  1  0.802107  0.834652  0.435975  1
  P  P86  1  0.743460  0.978332  0.451636  1
  P  P87  1  0.193988  0.857526  0.420277  1
  P  P88  1  0.135713  1.001328  0.435993  1
  P  P89  1  0.076937  0.145013  0.451617  1
  P  P90  1  0.410158  0.811793  0.451946  1
  P  P91  1  0.693786  0.607460  0.420114  1
  P  P92  1  0.248631  0.410237  0.482027  1
  P  P93  1  0.302030  0.584897  0.436235  1
  P  P94  1  0.694028  0.107442  0.419977  1
  P  P95  1  0.635648  0.251255  0.435923  1
  P  P96  1  0.576607  0.395251  0.451823  1
  P  P97  1  0.027320  0.274432  0.420030  1
  P  P98  1  0.968532  0.418237  0.435827  1
  P  P99  1  0.909838  0.561789  0.451723  1
  P  P100  1  0.360741  0.940825  0.420257  1
  P  P101  1  0.302445  0.084739  0.436024  1
  P  P102  1  0.243408  0.228430  0.451798  1
  P  P103  1  0.635674  0.751424  0.436163  1
  P  P104  1  0.576871  0.895159  0.451900  1
  P  P105  1  0.027205  0.774150  0.420159  1
  P  P106  1  0.968832  0.917942  0.435939  1
  P  P107  1  0.910240  0.061546  0.451541  1
  P  P108  1  0.243186  0.728454  0.451874  1
  P  P109  1  0.748756  0.660050  0.481955  1
  P  P110  1  0.415227  0.493712  0.482142  1
  P  P111  1  0.356813  0.637517  0.497956  1
  P  P112  1  0.748809  0.159857  0.481597  1
  P  P113  1  0.690108  0.304114  0.497440  1
  P  P114  1  0.631445  0.448229  0.513520  1
  P  P115  1  0.082227  0.326924  0.481839  1
  P  P116  1  0.023391  0.470696  0.497742  1
  P  P117  1  0.964872  0.614553  0.513615  1
  P  P118  1  0.415504  0.993310  0.481961  1
  P  P119  1  0.357409  0.137363  0.497819  1
  P  P120  1  0.298576  0.281198  0.513684  1
  P  P121  1  0.690344  0.804031  0.497873  1
  P  P122  1  0.631898  0.947980  0.513685  1
  P  P123  1  0.082059  0.826700  0.481967  1
  P  P124  1  0.023820  0.970503  0.497661  1
  P  P125  1  0.965416  0.114241  0.513164  1
  P  P126  1  0.298426  0.781195  0.513692  1
  P  P127  1  0.582087  0.577008  0.482129  1
  P  P128  1  0.137252  0.379603  0.543764  1
  P  P129  1  0.190014  0.554121  0.497873  1
  P  P130  1  0.581916  0.076496  0.481610  1
  P  P131  1  0.523566  0.220698  0.497510  1
  P  P132  1  0.464741  0.364833  0.513489  1
  P  P133  1  0.915666  0.243417  0.481712  1
  P  P134  1  0.856823  0.387443  0.497600  1
  P  P135  1  0.798375  0.531255  0.513699  1
  P  P136  1  0.248886  0.910013  0.482015  1
  P  P137  1  0.190709  0.053944  0.497720  1
  P  P138  1  0.131944  0.197779  0.513368  1
  P  P139  1  0.523773  0.720768  0.498014  1
  P  P140  1  0.465275  0.864567  0.513728  1
  P  P141  1  0.915312  0.743379  0.481913  1
  P  P142  1  0.856881  0.887226  0.497675  1
  P  P143  1  0.798592  0.030951  0.513249  1
  P  P144  1  0.131570  0.697856  0.513659  1
  P  P145  1  0.636955  0.629458  0.543907  1
  P  P146  1  0.303348  0.463002  0.543838  1
  P  P147  1  0.244833  0.606546  0.559709  1
  P  P148  1  0.636453  0.128947  0.543008  1
  P  P149  1  0.577944  0.273561  0.558930  1
  P  P150  1  0.518860  0.417788  0.575178  1
  P  P151  1  0.970611  0.296327  0.543353  1
  P  P152  1  0.911461  0.439795  0.559503  1
  P  P153  1  0.852871  0.583763  0.575421  1
  P  P154  1  0.303825  0.962674  0.543782  1
  P  P155  1  0.245574  0.106621  0.559446  1
  P  P156  1  0.186159  0.250483  0.575164  1
  P  P157  1  0.578366  0.773356  0.559717  1
  P  P158  1  0.519998  0.917259  0.575511  1
  P  P159  1  0.970105  0.796078  0.543722  1
  P  P160  1  0.911462  0.939805  0.559359  1
  P  P161  1  0.853743  0.083305  0.574687  1
  P  P162  1  0.186306  0.750431  0.575423  1
  P  P163  1  0.470134  0.546430  0.543873  1
  P  P164  1  0.026100  0.349371  0.605491  1
  P  P165  1  0.077962  0.523209  0.559583  1
  P  P166  1  0.470271  0.045960  0.543747  1
  P  P167  1  0.412219  0.190028  0.559711  1
  P  P168  1  0.353507  0.333688  0.575579  1
  P  P169  1  0.803665  0.212615  0.542989  1
  P  P170  1  0.744375  0.357000  0.559005  1
  P  P171  1  0.686357  0.500270  0.575531  1
  P  P172  1  0.136958  0.879364  0.543761  1
  P  P173  1  0.078771  0.023053  0.559349  1
  P  P174  1  0.020269  0.166769  0.574793  1
  P  P175  1  0.411645  0.689976  0.559738  1
  P  P176  1  0.353154  0.833817  0.575461  1
  P  P177  1  0.803475  0.712782  0.543777  1
  P  P178  1  0.744889  0.856712  0.559609  1
  P  P179  1  0.686470  1.000912  0.575503  1
  P  P180  1  0.019542  0.667093  0.575400  1
  P  P181  1  0.525992  0.598958  0.605752  1
  P  P182  1  0.193097  0.432499  0.605668  1
  P  P183  1  0.133262  0.575753  0.621364  1
  P  P184  1  0.525203  0.099097  0.605703  1
  P  P185  1  0.468007  0.242591  0.621683  1
  P  P186  1  0.408328  0.385476  0.637659  1
  P  P187  1  0.859923  0.266136  0.604070  1
  P  P188  1  0.799966  0.408670  0.621385  1
  P  P189  1  0.741165  0.552749  0.637193  1
  P  P190  1  0.192542  0.932454  0.605567  1
  P  P191  1  0.134055  0.075754  0.621046  1
  P  P192  1  0.072993  0.219934  0.636846  1
  P  P193  1  0.466539  0.742699  0.621472  1
  P  P194  1  0.407633  0.886602  0.637254  1
  P  P195  1  0.858981  0.765941  0.605581  1
  P  P196  1  0.799645  0.909689  0.621369  1
  P  P197  1  0.741290  0.054200  0.637383  1
  P  P198  1  0.074295  0.719584  0.637132  1
  P  P199  1  0.359615  0.515660  0.605861  1
  P  P200  1  0.915563  0.319265  0.667252  1
  P  P201  1  0.966417  0.492399  0.621274  1
  P  P202  1  0.359327  0.015775  0.605598  1
  P  P203  1  0.299507  0.159706  0.621284  1
  P  P204  1  0.241028  0.302597  0.636965  1
  P  P205  1  0.691650  0.181391  0.603672  1
  P  P206  1  0.631722  0.327214  0.620242  1
  P  P207  1  0.575248  0.468860  0.637603  1
  P  P208  1  0.025606  0.849227  0.605518  1
  P  P209  1  0.966410  0.992535  0.621078  1
  P  P210  1  0.909851  0.135205  0.636171  1
  P  P211  1  0.299977  0.659196  0.621440  1
  P  P212  1  0.240847  0.803067  0.637179  1
  P  P213  1  0.692419  0.682537  0.605674  1
  P  P214  1  0.633169  0.826188  0.621478  1
  P  P215  1  0.574750  0.970115  0.637327  1
  P  P216  1  0.907755  0.636161  0.637142  1
  P  P217  1  0.417656  0.569517  0.667227  1
  P  P218  1  0.083739  0.402714  0.666974  1
  P  P219  1  0.022950  0.545161  0.682458  1
  P  P220  1  0.415753  0.070125  0.667099  1
  P  P221  1  0.355768  0.212314  0.682580  1
  P  P222  1  0.298362  0.355164  0.697732  1
  P  P223  1  0.750489  0.235182  0.661891  1
  P  P224  1  0.690811  0.375985  0.683553  1
  P  P225  1  0.631294  0.521894  0.698006  1
  P  P226  1  0.082948  0.903640  0.667035  1
  P  P227  1  0.020150  0.046815  0.682491  1
  P  P228  1  0.958774  0.191562  0.698044  1
  P  P229  1  0.356332  0.712270  0.682581  1
  P  P230  1  0.297027  0.856211  0.697783  1
  P  P231  1  0.750544  0.736550  0.667089  1
  P  P232  1  0.689574  0.879299  0.682678  1
  P  P233  1  0.630370  0.023433  0.697967  1
  P  P234  1  0.964143  0.689170  0.697780  1
  P  P235  1  0.250892  0.486127  0.667199  1
  P  P236  1  0.734011  0.251801  0.724230  1
  P  P237  1  0.855894  0.461569  0.682447  1
  P  P238  1  0.249052  0.986928  0.667161  1
  P  P239  1  0.186869  0.129723  0.682325  1
  P  P240  1  0.130004  0.272622  0.697691  1
  P  P241  1  0.583106  0.153468  0.667474  1
  P  P242  1  0.526922  0.293860  0.683820  1
  P  P243  1  0.464894  0.438575  0.698098  1
  P  P244  1  0.916893  0.820158  0.667008  1
  P  P245  1  0.855244  0.963424  0.682543  1
  P  P246  1  0.793744  0.110313  0.698698  1
  P  P247  1  0.189737  0.628728  0.682512  1
  P  P248  1  0.130543  0.772718  0.697763  1
  P  P249  1  0.584014  0.653033  0.667168  1
  P  P250  1  0.522957  0.795776  0.682628  1
  P  P251  1  0.463667  0.939733  0.697824  1
  P  P252  1  0.797609  0.605617  0.697841  1
