# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.94583846
_cell_length_b   20.20990032
_cell_length_c   45.90862791
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.74573947
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P198
_cell_volume   12483.1991171
_cell_formula_units_Z   198
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  0.431515  0.646556  0.320065  1
  P  P2  1  0.122757  0.496235  0.310433  1
  P  P3  1  0.019166  0.657296  0.332661  1
  P  P4  1  0.418061  0.201270  0.295908  1
  P  P5  1  0.333933  0.359589  0.317955  1
  P  P6  1  0.330420  0.517032  0.335974  1
  P  P7  1  0.752155  0.332576  0.305444  1
  P  P8  1  0.725085  0.493413  0.324565  1
  P  P9  1  0.642188  0.658800  0.346718  1
  P  P10  1  0.932071  0.071126  0.315682  1
  P  P11  1  0.025505  0.207801  0.310318  1
  P  P12  1  0.946335  0.367507  0.331400  1
  P  P13  1  0.333045  0.806827  0.343628  1
  P  P14  1  0.235477  0.080187  0.317817  1
  P  P15  1  0.740072  0.788442  0.330180  1
  P  P16  1  0.727649  0.945609  0.351680  1
  P  P17  1  0.627143  0.219658  0.321749  1
  P  P18  1  0.934874  0.816986  0.357817  1
  P  P19  1  0.231891  0.676702  0.358505  1
  P  P20  1  0.926882  0.525095  0.351746  1
  P  P21  1  0.839212  0.680178  0.378589  1
  P  P22  1  0.230275  0.231924  0.338028  1
  P  P23  1  0.144323  0.388021  0.361372  1
  P  P24  1  0.136225  0.544476  0.378876  1
  P  P25  1  0.546688  0.377474  0.344191  1
  P  P26  1  0.536014  0.530993  0.366500  1
  P  P27  1  0.446508  0.689650  0.388667  1
  P  P28  1  0.939099  0.973676  0.375718  1
  P  P29  1  0.841603  0.219004  0.352311  1
  P  P30  1  0.757538  0.382550  0.375037  1
  P  P31  1  0.138319  0.948977  0.335153  1
  P  P32  1  0.061606  0.100170  0.365045  1
  P  P33  1  0.546338  0.822310  0.370656  1
  P  P34  1  0.456920  0.087489  0.345420  1
  P  P35  1  0.442802  0.244414  0.365396  1
  P  P36  1  0.746499  0.836452  0.403527  1
  P  P37  1  0.045927  0.700437  0.403168  1
  P  P38  1  0.739968  0.544839  0.395319  1
  P  P39  1  0.644958  0.706769  0.419435  1
  P  P40  1  0.042674  0.253959  0.381945  1
  P  P41  1  0.955832  0.408656  0.404417  1
  P  P42  1  0.978379  0.446222  0.476372  1
  P  P43  1  0.355181  0.403754  0.387844  1
  P  P44  1  0.342165  0.560135  0.407264  1
  P  P45  1  0.255940  0.716286  0.429094  1
  P  P46  1  0.669137  0.104456  0.372797  1
  P  P47  1  0.648560  0.260643  0.394090  1
  P  P48  1  0.661700  0.305003  0.467149  1
  P  P49  1  0.954209  0.856855  0.429718  1
  P  P50  1  0.972064  0.005241  0.449458  1
  P  P51  1  0.346296  0.961380  0.363552  1
  P  P52  1  0.269527  0.116031  0.389613  1
  P  P53  1  0.285766  0.164840  0.460462  1
  P  P54  1  0.552460  0.865121  0.445989  1
  P  P55  1  0.948782  0.562906  0.424089  1
  P  P56  1  0.561525  0.418803  0.417353  1
  P  P57  1  0.545213  0.576543  0.438902  1
  P  P58  1  0.868443  0.121165  0.406528  1
  P  P59  1  0.857294  0.273514  0.425962  1
  P  P60  1  0.766444  0.434032  0.446989  1
  P  P61  1  0.251795  0.274146  0.408636  1
  P  P62  1  0.162319  0.431548  0.431188  1
  P  P63  1  0.150905  0.586445  0.451095  1
  P  P64  1  0.543495  0.976991  0.396591  1
  P  P65  1  0.476371  0.132655  0.417667  1
  P  P66  1  0.457286  0.290176  0.437991  1
  P  P67  1  0.864808  0.721029  0.449114  1
  P  P68  1  0.754900  -0.008970  0.423145  1
  P  P69  1  0.141212  0.834098  0.385650  1
  P  P70  1  0.158298  0.979590  0.407750  1
  P  P71  1  0.084634  0.132035  0.436084  1
  P  P72  1  0.356881  0.847488  0.414174  1
  P  P73  1  0.755802  0.590194  0.466061  1
  P  P74  1  0.370804  0.450681  0.460335  1
  P  P75  1  0.349434  0.610027  0.480149  1
  P  P76  1  0.679033  0.149734  0.446927  1
  P  P77  1  0.699328  0.192883  0.518404  1
  P  P78  1  0.579209  0.460544  0.490544  1
  P  P79  1  0.064385  0.289502  0.454245  1
  P  P80  1  0.075186  0.327379  0.526718  1
  P  P81  1  0.960925  0.602190  0.496625  1
  P  P82  1  0.348501  0.003344  0.441124  1
  P  P83  1  0.365976  0.055813  0.510434  1
  P  P84  1  0.262803  0.322630  0.480024  1
  P  P85  1  0.671496  0.747366  0.488007  1
  P  P86  1  0.563699  0.016986  0.468611  1
  P  P87  1  0.075360  0.740805  0.474527  1
  P  P88  1  0.976525  0.898846  0.500540  1
  P  P89  1  0.896156  0.159489  0.479304  1
  P  P90  1  0.176385  0.866210  0.460061  1
  P  P91  1  0.450023  0.737035  0.465045  1
  P  P92  1  0.180817  0.476666  0.503076  1
  P  P93  1  0.158667  0.629262  0.524573  1
  P  P94  1  0.493650  0.176852  0.490391  1
  P  P95  1  0.466307  0.337224  0.510894  1
  P  P96  1  0.387119  0.503861  0.532284  1
  P  P97  1  0.866139  0.323348  0.496071  1
  P  P98  1  0.786506  0.483807  0.518703  1
  P  P99  1  0.763667  0.644265  0.537946  1
  P  P100  1  0.158630  0.011622  0.490897  1
  P  P101  1  0.113077  0.168235  0.507915  1
  P  P102  1  0.306727  0.215908  0.531416  1
  P  P103  1  0.497697  0.771416  0.534797  1
  P  P104  1  0.476241  0.936869  0.556043  1
  P  P105  1  0.762695  0.879556  0.477388  1
  P  P106  1  0.782056  0.034109  0.492986  1
  P  P107  1  0.827793  0.078556  0.560084  1
  P  P108  1  0.116402  0.787246  0.542324  1
  P  P109  1  0.353016  0.673981  0.547409  1
  P  P110  1  1.003741  0.485086  0.548878  1
  P  P111  1  0.898668  0.760308  0.520150  1
  P  P112  1  0.402667  0.101466  0.577921  1
  P  P113  1  0.269344  0.369815  0.552802  1
  P  P114  1  0.204697  0.520857  0.576860  1
  P  P115  1  0.675069  0.345306  0.540511  1
  P  P116  1  0.562969  0.614459  0.510758  1
  P  P117  1  0.576456  0.654899  0.583359  1
  P  P118  1  0.046636  0.949598  0.562383  1
  P  P119  1  0.914547  0.217578  0.547543  1
  P  P120  1  0.871888  0.374914  0.569026  1
  P  P121  1  0.372018  0.895312  0.494616  1
  P  P122  1  0.231096  0.022090  0.563353  1
  P  P123  1  0.693961  0.811514  0.552805  1
  P  P124  1  0.598117  0.058721  0.538109  1
  P  P125  1  0.518434  0.223177  0.563129  1
  P  P126  1  0.933175  0.802384  0.588410  1
  P  P127  1  0.173134  0.677686  0.595074  1
  P  P128  1  0.807198  0.537722  0.589808  1
  P  P129  1  0.771163  0.706826  0.605959  1
  P  P130  1  0.142900  0.202957  0.577692  1
  P  P131  1  0.086672  0.365351  0.598447  1
  P  P132  1  0.027771  0.523558  0.621416  1
  P  P133  1  0.469878  0.390670  0.581865  1
  P  P134  1  0.405899  0.563653  0.601155  1
  P  P135  1  0.364767  0.733118  0.614161  1
  P  P136  1  0.882221  0.967816  0.612909  1
  P  P137  1  0.731689  0.227249  0.591126  1
  P  P138  1  0.683502  0.384372  0.612924  1
  P  P139  1  0.132080  0.836718  0.613640  1
  P  P140  1  0.091909  0.987427  0.637851  1
  P  P141  1  0.529809  0.816764  0.603578  1
  P  P142  1  0.497151  0.985915  0.624054  1
  P  P143  1  0.440071  0.141239  0.646459  1
  P  P144  1  0.720621  0.876145  0.616719  1
  P  P145  1  0.974397  0.640552  0.569985  1
  P  P146  1  0.604902  0.500246  0.563284  1
  P  P147  1  0.628405  0.540311  0.635672  1
  P  P148  1  0.016141  0.102045  0.594042  1
  P  P149  1  0.935681  0.257738  0.619367  1
  P  P150  1  0.879020  0.421826  0.639647  1
  P  P151  1  0.323546  0.256839  0.603129  1
  P  P152  1  0.280023  0.407075  0.626780  1
  P  P153  1  0.230604  0.562447  0.647734  1
  P  P154  1  0.802376  0.928310  0.549140  1
  P  P155  1  0.640466  0.091863  0.606604  1
  P  P156  1  0.532612  0.275515  0.632099  1
  P  P157  1  0.990715  0.683983  0.640889  1
  P  P158  1  0.942736  0.847898  0.658888  1
  P  P159  1  0.291920  0.853334  0.560742  1
  P  P160  1  0.319249  0.909305  0.623404  1
  P  P161  1  0.246973  0.085699  0.628704  1
  P  P162  1  0.592915  0.701191  0.652624  1
  P  P163  1  0.824784  0.592053  0.657356  1
  P  P164  1  0.475121  0.446152  0.651071  1
  P  P165  1  0.422790  0.621704  0.670036  1
  P  P166  1  0.836784  0.117075  0.639851  1
  P  P167  1  0.746744  0.271704  0.662293  1
  P  P168  1  0.698280  0.423755  0.685852  1
  P  P169  1  0.152179  0.248859  0.648697  1
  P  P170  1  0.096910  0.406173  0.670453  1
  P  P171  1  0.049040  0.565526  0.691857  1
  P  P172  1  0.557460  0.869563  0.670560  1
  P  P173  1  0.489859  0.025439  0.695954  1
  P  P174  1  0.344443  0.287202  0.676656  1
  P  P175  1  0.781605  0.762788  0.673024  1
  P  P176  1  0.705082  -0.007204  0.663640  1
  P  P177  1  0.194438  0.722008  0.664144  1
  P  P178  1  0.140104  0.876929  0.687904  1
  P  P179  1  0.043573  0.135653  0.669419  1
  P  P180  1  0.378039  0.797032  0.678795  1
  P  P181  1  0.651498  0.583322  0.704406  1
  P  P182  1  0.292825  0.443259  0.698047  1
  P  P183  1  0.248390  0.603826  0.716030  1
  P  P184  1  0.633262  0.155332  0.679976  1
  P  P185  1  0.539716  0.329525  0.699814  1
  P  P186  1  0.483201  0.497893  0.716807  1
  P  P187  1  0.944589  0.303208  0.689201  1
  P  P188  1  0.890002  0.475139  0.706892  1
  P  P189  1  0.838980  0.646362  0.722250  1
  P  P190  1  0.287020  0.980532  0.684399  1
  P  P191  1  0.271631  0.141912  0.696175  1
  P  P192  1  0.157896  0.293116  0.719231  1
  P  P193  1  0.601982  0.746370  0.718707  1
  P  P194  1  0.433349  0.889147  0.730632  1
  P  P195  1  0.019154  0.727499  0.708904  1
  P  P196  1  0.924261  0.002142  0.686930  1
  P  P197  1  0.849333  0.161664  0.709165  1
  P  P198  1  0.243821  0.757091  0.730816  1
