# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.19500982
_cell_length_b   13.66997823
_cell_length_c   48.42957963
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.01913264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P252
_cell_volume   13894.8491969
_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  0.584826  0.916889  0.316987  1
  P  P2  1  0.250819  0.917244  0.316826  1
  P  P3  1  0.452804  0.578288  0.274146  1
  P  P4  1  0.601669  0.496063  0.294950  1
  P  P5  1  0.918612  0.917357  0.316517  1
  P  P6  1  0.121569  0.575398  0.274841  1
  P  P7  1  0.269357  0.496292  0.295013  1
  P  P8  1  0.418312  0.417006  0.316422  1
  P  P9  1  0.621765  0.071688  0.274154  1
  P  P10  1  0.786974  0.574927  0.273635  1
  P  P11  1  0.936199  0.496552  0.294636  1
  P  P12  1  0.085216  0.417446  0.316640  1
  P  P13  1  0.288235  0.072505  0.274124  1
  P  P14  1  0.436205  0.996512  0.294706  1
  P  P15  1  0.750660  0.416910  0.316695  1
  P  P16  1  0.952685  0.078765  0.274135  1
  P  P17  1  0.101806  0.997098  0.294936  1
  P  P18  1  0.769598  0.995586  0.294730  1
  P  P19  1  0.703744  0.824051  0.273654  1
  P  P20  1  0.370202  0.825380  0.273649  1
  P  P21  1  0.519303  0.746219  0.294735  1
  P  P22  1  0.667945  0.666523  0.316847  1
  P  P23  1  0.983751  0.089433  0.339250  1
  P  P24  1  0.185647  0.746114  0.295006  1
  P  P25  1  0.334373  0.667250  0.316938  1
  P  P26  1  0.483795  0.589114  0.339240  1
  P  P27  1  0.685184  0.245287  0.294944  1
  P  P28  1  0.852338  0.745742  0.294793  1
  P  P29  1  0.001953  0.667600  0.316621  1
  P  P30  1  0.151246  0.588623  0.339556  1
  P  P31  1  0.351831  0.245489  0.295013  1
  P  P32  1  0.501733  0.167524  0.316477  1
  P  P33  1  0.869870  0.326274  0.273606  1
  P  P34  1  0.018811  0.246609  0.294825  1
  P  P35  1  0.168330  0.167407  0.316498  1
  P  P36  1  0.834242  0.167491  0.316844  1
  P  P37  1  0.532490  0.180799  0.383389  1
  P  P38  1  0.199083  0.180902  0.383359  1
  P  P39  1  0.400721  0.838665  0.338928  1
  P  P40  1  0.549860  0.759584  0.361378  1
  P  P41  1  0.865390  0.181152  0.383674  1
  P  P42  1  0.067265  0.838751  0.338358  1
  P  P43  1  0.216294  0.759882  0.361367  1
  P  P44  1  0.365499  0.680972  0.383738  1
  P  P45  1  0.567037  0.338247  0.338404  1
  P  P46  1  0.734207  0.838037  0.339008  1
  P  P47  1  0.883642  0.759665  0.361039  1
  P  P48  1  0.032563  0.681237  0.383477  1
  P  P49  1  0.233848  0.338318  0.338356  1
  P  P50  1  0.383325  0.259667  0.360935  1
  P  P51  1  0.698993  0.680433  0.383638  1
  P  P52  1  0.900510  0.338930  0.338915  1
  P  P53  1  0.050159  0.260088  0.361080  1
  P  P54  1  0.716080  0.259508  0.361250  1
  P  P55  1  0.651183  0.087607  0.339265  1
  P  P56  1  0.317681  0.087756  0.339225  1
  P  P57  1  0.466789  0.009942  0.361218  1
  P  P58  1  0.615829  0.930390  0.383785  1
  P  P59  1  0.931606  0.352268  0.405763  1
  P  P60  1  0.132967  0.010020  0.361116  1
  P  P61  1  0.282223  0.930706  0.383677  1
  P  P62  1  0.431513  0.852115  0.405914  1
  P  P63  1  0.632789  0.509228  0.361260  1
  P  P64  1  0.800334  0.009249  0.361211  1
  P  P65  1  0.949272  0.930869  0.383397  1
  P  P66  1  0.098119  0.852205  0.405712  1
  P  P67  1  0.300225  0.509069  0.361205  1
  P  P68  1  0.449161  0.430609  0.383366  1
  P  P69  1  0.817473  0.588126  0.338943  1
  P  P70  1  0.966962  0.509935  0.361031  1
  P  P71  1  0.115981  0.430703  0.383493  1
  P  P72  1  0.782087  0.430750  0.383549  1
  P  P73  1  0.479813  0.444144  0.450502  1
  P  P74  1  0.146677  0.444246  0.450495  1
  P  P75  1  0.348347  0.101962  0.405922  1
  P  P76  1  0.497479  0.023081  0.428233  1
  P  P77  1  0.813226  0.444382  0.450441  1
  P  P78  1  0.014823  0.102450  0.405938  1
  P  P79  1  0.163973  0.023267  0.428148  1
  P  P80  1  0.313223  0.944333  0.450570  1
  P  P81  1  0.514714  0.601993  0.406068  1
  P  P82  1  0.681722  0.101607  0.406028  1
  P  P83  1  0.830842  0.023106  0.428199  1
  P  P84  1  0.979917  0.944474  0.450444  1
  P  P85  1  0.181799  0.601956  0.406159  1
  P  P86  1  0.330833  0.522981  0.428214  1
  P  P87  1  0.646662  0.944017  0.450620  1
  P  P88  1  0.848398  0.601957  0.405773  1
  P  P89  1  0.997575  0.523308  0.428089  1
  P  P90  1  0.663875  0.522920  0.428248  1
  P  P91  1  0.597967  0.351724  0.405766  1
  P  P92  1  0.264940  0.351792  0.405602  1
  P  P93  1  0.414109  0.273085  0.428034  1
  P  P94  1  0.563195  0.194113  0.450498  1
  P  P95  1  0.879201  0.615557  0.472733  1
  P  P96  1  0.080808  0.273281  0.428109  1
  P  P97  1  0.229926  0.194310  0.450392  1
  P  P98  1  0.379131  0.115445  0.472818  1
  P  P99  1  0.580687  0.772923  0.428332  1
  P  P100  1  0.747152  0.273187  0.428249  1
  P  P101  1  0.896477  0.194623  0.450512  1
  P  P102  1  0.045711  0.115633  0.472800  1
  P  P103  1  0.247271  0.773258  0.428358  1
  P  P104  1  0.396457  0.694408  0.450637  1
  P  P105  1  0.765109  0.851717  0.405875  1
  P  P106  1  0.914203  0.773255  0.428100  1
  P  P107  1  0.063275  0.694492  0.450529  1
  P  P108  1  0.729976  0.694129  0.450504  1
  P  P109  1  0.427314  0.707769  0.517572  1
  P  P110  1  0.094005  0.707899  0.517564  1
  P  P111  1  0.295747  0.365411  0.472707  1
  P  P112  1  0.444836  0.286533  0.495109  1
  P  P113  1  0.760858  0.707774  0.517434  1
  P  P114  1  0.962489  0.365647  0.472741  1
  P  P115  1  0.111642  0.286650  0.495080  1
  P  P116  1  0.260791  0.207794  0.517379  1
  P  P117  1  0.462405  0.865402  0.472906  1
  P  P118  1  0.628884  0.365331  0.472874  1
  P  P119  1  0.778130  0.286822  0.495150  1
  P  P120  1  0.927371  0.208031  0.517412  1
  P  P121  1  0.128976  0.865580  0.472838  1
  P  P122  1  0.278168  0.786745  0.495277  1
  P  P123  1  0.593926  0.207685  0.517524  1
  P  P124  1  0.795825  0.865462  0.472822  1
  P  P125  1  0.944926  0.786811  0.495124  1
  P  P126  1  0.611612  0.786408  0.495212  1
  P  P127  1  0.545621  0.615302  0.472942  1
  P  P128  1  0.212426  0.615496  0.472986  1
  P  P129  1  0.361518  0.536610  0.495197  1
  P  P130  1  0.510599  0.457613  0.517529  1
  P  P131  1  0.826588  0.879152  0.539803  1
  P  P132  1  0.028332  0.536714  0.495126  1
  P  P133  1  0.177420  0.457813  0.517481  1
  P  P134  1  0.326515  0.378984  0.539757  1
  P  P135  1  0.528262  0.036442  0.495218  1
  P  P136  1  0.694899  0.536507  0.495163  1
  P  P137  1  0.844186  0.457925  0.517391  1
  P  P138  1  0.993387  0.379007  0.539757  1
  P  P139  1  0.194910  0.036642  0.495113  1
  P  P140  1  0.344141  0.957770  0.517513  1
  P  P141  1  0.712363  0.115403  0.472882  1
  P  P142  1  0.861558  0.036799  0.495115  1
  P  P143  1  0.010683  0.957883  0.517441  1
  P  P144  1  0.677410  0.957703  0.517514  1
  P  P145  1  0.375068  0.971153  0.584482  1
  P  P146  1  0.041511  0.971147  0.584401  1
  P  P147  1  0.243169  0.629078  0.539896  1
  P  P148  1  0.392300  0.550072  0.562178  1
  P  P149  1  0.708181  0.971406  0.584423  1
  P  P150  1  0.910033  0.629100  0.539727  1
  P  P151  1  0.059094  0.550113  0.562194  1
  P  P152  1  0.208194  0.471470  0.584460  1
  P  P153  1  0.409944  0.128857  0.539800  1
  P  P154  1  0.576494  0.628745  0.539792  1
  P  P155  1  0.725853  0.550066  0.562083  1
  P  P156  1  0.875156  0.471446  0.584348  1
  P  P157  1  0.076554  0.128950  0.539683  1
  P  P158  1  0.225822  0.050106  0.562050  1
  P  P159  1  0.541419  0.471051  0.584502  1
  P  P160  1  0.743103  0.129106  0.539727  1
  P  P161  1  0.892346  0.050291  0.562029  1
  P  P162  1  0.559034  0.049923  0.562222  1
  P  P163  1  0.493314  0.878736  0.539895  1
  P  P164  1  0.159847  0.879020  0.539861  1
  P  P165  1  0.309019  0.800251  0.562223  1
  P  P166  1  0.458095  0.721172  0.584511  1
  P  P167  1  0.773851  0.142689  0.606473  1
  P  P168  1  0.975651  0.800276  0.562176  1
  P  P169  1  0.124783  0.721338  0.584573  1
  P  P170  1  0.274056  0.642596  0.606819  1
  P  P171  1  0.475582  0.299987  0.562160  1
  P  P172  1  0.642488  0.800001  0.562097  1
  P  P173  1  0.791743  0.721427  0.584379  1
  P  P174  1  0.940810  0.642582  0.606773  1
  P  P175  1  0.142478  0.300135  0.562040  1
  P  P176  1  0.291651  0.221317  0.584360  1
  P  P177  1  0.659800  0.378950  0.539893  1
  P  P178  1  0.809004  0.300452  0.562060  1
  P  P179  1  0.958182  0.221421  0.584327  1
  P  P180  1  0.624684  0.221320  0.584496  1
  P  P181  1  0.322385  0.234709  0.651426  1
  P  P182  1  0.988709  0.234816  0.651347  1
  P  P183  1  0.190720  0.892606  0.606868  1
  P  P184  1  0.339805  0.813770  0.629246  1
  P  P185  1  0.655384  0.235081  0.651471  1
  P  P186  1  0.857359  0.892795  0.606873  1
  P  P187  1  0.006421  0.813570  0.629278  1
  P  P188  1  0.155770  0.734727  0.651517  1
  P  P189  1  0.357324  0.392449  0.606805  1
  P  P190  1  0.524210  0.892135  0.606927  1
  P  P191  1  0.673392  0.813797  0.628973  1
  P  P192  1  0.822484  0.735056  0.651423  1
  P  P193  1  0.024237  0.392294  0.606855  1
  P  P194  1  0.173316  0.313875  0.628966  1
  P  P195  1  0.488702  0.734746  0.651493  1
  P  P196  1  0.690711  0.392605  0.606957  1
  P  P197  1  0.839860  0.314235  0.628968  1
  P  P198  1  0.506378  0.313454  0.629229  1
  P  P199  1  0.440735  0.142304  0.606836  1
  P  P200  1  0.107261  0.142329  0.606466  1
  P  P201  1  0.256788  0.063548  0.628964  1
  P  P202  1  0.405863  0.984631  0.651531  1
  P  P203  1  0.721918  0.406272  0.674113  1
  P  P204  1  0.923335  0.063531  0.628943  1
  P  P205  1  0.072289  0.984258  0.651408  1
  P  P206  1  0.221763  0.906434  0.673859  1
  P  P207  1  0.423133  0.563478  0.629208  1
  P  P208  1  0.589796  0.063504  0.629262  1
  P  P209  1  0.738877  0.984883  0.651432  1
  P  P210  1  0.888379  0.906483  0.673979  1
  P  P211  1  0.089805  0.563491  0.629306  1
  P  P212  1  0.239047  0.484987  0.651467  1
  P  P213  1  0.607260  0.642264  0.606518  1
  P  P214  1  0.756881  0.563528  0.628975  1
  P  P215  1  0.905980  0.484995  0.651420  1
  P  P216  1  0.572176  0.484480  0.651493  1
  P  P217  1  0.269808  0.498224  0.716902  1
  P  P218  1  0.936559  0.498575  0.716968  1
  P  P219  1  0.137914  0.155906  0.672871  1
  P  P220  1  0.287294  0.076688  0.695863  1
  P  P221  1  0.603249  0.498840  0.717319  1
  P  P222  1  0.804820  0.156213  0.672858  1
  P  P223  1  0.954306  0.076497  0.695825  1
  P  P224  1  0.103852  0.997965  0.717308  1
  P  P225  1  0.305234  0.656117  0.673678  1
  P  P226  1  0.471704  0.156067  0.673800  1
  P  P227  1  0.620712  0.077783  0.695827  1
  P  P228  1  0.770219  0.998679  0.717307  1
  P  P229  1  0.971683  0.656230  0.673774  1
  P  P230  1  0.120694  0.577385  0.695868  1
  P  P231  1  0.436275  0.998397  0.716958  1
  P  P232  1  0.638146  0.655891  0.672861  1
  P  P233  1  0.787476  0.577217  0.695802  1
  P  P234  1  0.454109  0.577063  0.695837  1
  P  P235  1  0.388428  0.405809  0.673765  1
  P  P236  1  0.055286  0.405350  0.673977  1
  P  P237  1  0.203863  0.327578  0.695808  1
  P  P238  1  0.352163  0.247788  0.717005  1
  P  P239  1  0.667807  0.669096  0.737547  1
  P  P240  1  0.870816  0.327361  0.695842  1
  P  P241  1  0.019463  0.247757  0.717413  1
  P  P242  1  0.167347  0.169533  0.737532  1
  P  P243  1  0.370941  0.826860  0.695895  1
  P  P244  1  0.537481  0.327361  0.695870  1
  P  P245  1  0.686855  0.248193  0.717311  1
  P  P246  1  0.834669  0.168889  0.737560  1
  P  P247  1  0.037803  0.826769  0.695880  1
  P  P248  1  0.186682  0.747525  0.716926  1
  P  P249  1  0.555399  0.905666  0.673935  1
  P  P250  1  0.703884  0.827815  0.695858  1
  P  P251  1  0.852368  0.747682  0.717046  1
  P  P252  1  0.520033  0.748434  0.717302  1
