# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   49.24897339
_cell_length_b   55.14097098
_cell_length_c   52.31135364
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.72416527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P648
_cell_volume   140201.017729
_cell_formula_units_Z   648
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  0.121764  0.914843  0.425520  1
  P  P2  1  0.132321  0.624576  0.330282  1
  P  P3  1  0.455097  0.581510  0.425520  1
  P  P4  1  0.127042  0.269710  0.377901  1
  P  P5  1  0.460375  0.936376  0.377901  1
  P  P6  1  0.793709  0.603043  0.377901  1
  P  P7  1  0.465654  0.291243  0.330282  1
  P  P8  1  0.788430  0.248177  0.425520  1
  P  P9  1  0.798987  0.957909  0.330282  1
  P  P10  1  0.130313  0.076972  0.338245  1
  P  P11  1  0.125034  0.722106  0.385864  1
  P  P12  1  0.463646  0.743639  0.338245  1
  P  P13  1  0.135320  0.433388  0.291897  1
  P  P14  1  0.468654  0.100055  0.291897  1
  P  P15  1  0.801987  0.766722  0.291897  1
  P  P16  1  0.458367  0.388772  0.385864  1
  P  P17  1  0.796979  0.410305  0.338245  1
  P  P18  1  0.791701  0.055439  0.385864  1
  P  P19  1  0.121113  0.929740  0.297861  1
  P  P20  1  0.113712  0.574727  0.345669  1
  P  P21  1  0.454446  0.596406  0.297861  1
  P  P22  1  0.108434  0.219860  0.393288  1
  P  P23  1  0.441767  0.886527  0.393288  1
  P  P24  1  0.775100  0.553194  0.393288  1
  P  P25  1  0.447046  0.241393  0.345669  1
  P  P26  1  0.787779  0.263073  0.297861  1
  P  P27  1  0.780379  0.908060  0.345669  1
  P  P28  1  0.148921  0.126822  0.322858  1
  P  P29  1  0.143643  0.771955  0.370477  1
  P  P30  1  0.482254  0.793488  0.322858  1
  P  P31  1  0.138364  0.417089  0.418096  1
  P  P32  1  0.471697  0.083755  0.418096  1
  P  P33  1  0.805031  0.750422  0.418096  1
  P  P34  1  0.476976  0.438622  0.370477  1
  P  P35  1  0.815588  0.460155  0.322858  1
  P  P36  1  0.810309  0.105288  0.370477  1
  P  P37  1  0.179691  0.932760  0.293366  1
  P  P38  1  0.176567  0.577961  0.340856  1
  P  P39  1  0.513024  0.599427  0.293366  1
  P  P40  1  0.171288  0.223095  0.388475  1
  P  P41  1  0.504621  0.889762  0.388475  1
  P  P42  1  0.837955  0.556428  0.388475  1
  P  P43  1  0.509900  0.244628  0.340856  1
  P  P44  1  0.846358  0.266093  0.293366  1
  P  P45  1  0.843233  0.911295  0.340856  1
  P  P46  1  0.086067  0.123587  0.327671  1
  P  P47  1  0.080788  0.768720  0.375290  1
  P  P48  1  0.419400  0.790253  0.327671  1
  P  P49  1  0.075509  0.413854  0.422909  1
  P  P50  1  0.408843  0.080521  0.422909  1
  P  P51  1  0.742176  0.747187  0.422909  1
  P  P52  1  0.414121  0.435387  0.375290  1
  P  P53  1  0.752733  0.456920  0.327671  1
  P  P54  1  0.747455  0.102054  0.375290  1
  P  P55  1  0.129172  0.870700  0.386890  1
  P  P56  1  0.139729  0.580433  0.291652  1
  P  P57  1  0.462505  0.537366  0.386890  1
  P  P58  1  0.134450  0.225566  0.339271  1
  P  P59  1  0.467784  0.892233  0.339271  1
  P  P60  1  0.801117  0.558900  0.339271  1
  P  P61  1  0.473062  0.247099  0.291652  1
  P  P62  1  0.795838  0.204033  0.386890  1
  P  P63  1  0.806396  0.913766  0.291652  1
  P  P64  1  0.122904  0.121116  0.376876  1
  P  P65  1  0.117626  0.766249  0.424495  1
  P  P66  1  0.456238  0.787782  0.376876  1
  P  P67  1  0.128422  0.474511  0.327925  1
  P  P68  1  0.461755  0.141177  0.327925  1
  P  P69  1  0.795088  0.807844  0.327925  1
  P  P70  1  0.450959  0.432916  0.424495  1
  P  P71  1  0.789571  0.454449  0.376876  1
  P  P72  1  0.784293  0.099583  0.424495  1
  P  P73  1  0.250445  0.980653  0.373306  1
  P  P74  1  0.245166  0.625787  0.420925  1
  P  P75  1  0.583778  0.647320  0.373306  1
  P  P76  1  0.255724  0.335520  0.325687  1
  P  P77  1  0.589057  0.002186  0.325687  1
  P  P78  1  0.922390  0.668853  0.325687  1
  P  P79  1  0.578500  0.292454  0.420925  1
  P  P80  1  0.917112  0.313987  0.373306  1
  P  P81  1  0.911833  0.959120  0.420925  1
  P  P82  1  0.001631  0.011162  0.390460  1
  P  P83  1  0.012292  0.720926  0.295182  1
  P  P84  1  0.334964  0.677829  0.390460  1
  P  P85  1  0.006910  0.366029  0.342840  1
  P  P86  1  0.340243  0.032695  0.342840  1
  P  P87  1  0.673576  0.699362  0.342840  1
  P  P88  1  0.345625  0.387593  0.295182  1
  P  P89  1  0.668298  0.344495  0.390460  1
  P  P90  1  0.678958  0.054259  0.295182  1
  P  P91  1  0.186993  0.984089  0.382769  1
  P  P92  1  0.198224  0.693425  0.287943  1
  P  P93  1  0.520326  0.650756  0.382769  1
  P  P94  1  0.192271  0.338956  0.335150  1
  P  P95  1  0.525605  0.005622  0.335150  1
  P  P96  1  0.858938  0.672289  0.335150  1
  P  P97  1  0.531557  0.360091  0.287943  1
  P  P98  1  0.853659  0.317423  0.382769  1
  P  P99  1  0.864891  0.026758  0.287943  1
  P  P100  1  0.065083  0.007726  0.380996  1
  P  P101  1  0.059805  0.652860  0.428615  1
  P  P102  1  0.398417  0.674393  0.380996  1
  P  P103  1  0.070362  0.362592  0.333377  1
  P  P104  1  0.403695  0.029259  0.333377  1
  P  P105  1  0.737029  0.695926  0.333377  1
  P  P106  1  0.393138  0.319526  0.428615  1
  P  P107  1  0.731750  0.341059  0.380996  1
  P  P108  1  0.726472  0.986193  0.428615  1
  P  P109  1  0.226721  0.934575  0.393150  1
  P  P110  1  0.237014  0.645050  0.298098  1
  P  P111  1  0.560055  0.601241  0.393150  1
  P  P112  1  0.232000  0.289441  0.345531  1
  P  P113  1  0.565333  0.956108  0.345531  1
  P  P114  1  0.898667  0.622774  0.345531  1
  P  P115  1  0.570348  0.311716  0.298098  1
  P  P116  1  0.893388  0.267908  0.393150  1
  P  P117  1  0.903681  0.978383  0.298098  1
  P  P118  1  0.025355  0.057241  0.370615  1
  P  P119  1  0.020076  0.702374  0.418234  1
  P  P120  1  0.358688  0.723907  0.370615  1
  P  P121  1  0.030633  0.412107  0.322996  1
  P  P122  1  0.363967  0.078774  0.322996  1
  P  P123  1  0.697300  0.745440  0.322996  1
  P  P124  1  0.353410  0.369041  0.418234  1
  P  P125  1  0.692022  0.390574  0.370615  1
  P  P126  1  0.686743  0.035708  0.418234  1
  P  P127  1  0.227718  0.979856  0.429317  1
  P  P128  1  0.237969  0.689274  0.333442  1
  P  P129  1  0.561052  0.646522  0.429317  1
  P  P130  1  0.232997  0.334722  0.381698  1
  P  P131  1  0.566330  1.001389  0.381698  1
  P  P132  1  0.899664  0.668055  0.381698  1
  P  P133  1  0.571303  0.355941  0.333442  1
  P  P134  1  0.894385  0.313189  0.429317  1
  P  P135  1  0.904636  0.022608  0.333442  1
  P  P136  1  0.024358  0.011960  0.334449  1
  P  P137  1  0.019079  0.657093  0.382068  1
  P  P138  1  0.357691  0.678626  0.334449  1
  P  P139  1  0.029636  0.366826  0.286830  1
  P  P140  1  0.362970  0.033493  0.286830  1
  P  P141  1  0.696303  0.700159  0.286830  1
  P  P142  1  0.352412  0.323760  0.382068  1
  P  P143  1  0.691024  0.345293  0.334449  1
  P  P144  1  0.685746  0.990427  0.382068  1
  P  P145  1  0.025936  0.861330  0.336003  1
  P  P146  1  0.020657  0.506464  0.383622  1
  P  P147  1  0.359269  0.527997  0.336003  1
  P  P148  1  0.031214  0.216197  0.288384  1
  P  P149  1  0.364547  0.882863  0.288384  1
  P  P150  1  0.697881  0.549530  0.288384  1
  P  P151  1  0.353990  0.173131  0.383622  1
  P  P152  1  0.692602  0.194664  0.336003  1
  P  P153  1  0.687324  0.839797  0.383622  1
  P  P154  1  0.226141  0.130485  0.427762  1
  P  P155  1  0.237191  0.839583  0.332250  1
  P  P156  1  0.559474  0.797152  0.427762  1
  P  P157  1  0.231419  0.485351  0.380143  1
  P  P158  1  0.564753  0.152018  0.380143  1
  P  P159  1  0.898086  0.818685  0.380143  1
  P  P160  1  0.570525  0.506250  0.332250  1
  P  P161  1  0.892807  0.463818  0.427762  1
  P  P162  1  0.903858  0.172917  0.332250  1
  P  P163  1  1.000753  0.869113  0.391092  1
  P  P164  1  0.011323  0.578891  0.295793  1
  P  P165  1  0.334086  0.535780  0.391092  1
  P  P166  1  0.006032  0.223979  0.343473  1
  P  P167  1  0.339365  0.890646  0.343473  1
  P  P168  1  0.672698  0.557313  0.343473  1
  P  P169  1  0.344656  0.245557  0.295793  1
  P  P170  1  0.667420  0.202446  0.391092  1
  P  P171  1  0.677989  0.912224  0.295793  1
  P  P172  1  0.251323  0.122702  0.372673  1
  P  P173  1  0.246044  0.767836  0.420292  1
  P  P174  1  0.584656  0.789369  0.372673  1
  P  P175  1  0.256602  0.477569  0.325054  1
  P  P176  1  0.589935  0.144235  0.325054  1
  P  P177  1  0.923268  0.810902  0.325054  1
  P  P178  1  0.579378  0.434503  0.420292  1
  P  P179  1  0.917990  0.456036  0.372673  1
  P  P180  1  0.912711  0.101169  0.420292  1
  P  P181  1  0.967713  0.893242  0.343741  1
  P  P182  1  0.962435  0.538375  0.391360  1
  P  P183  1  0.301047  0.559908  0.343741  1
  P  P184  1  0.972992  0.248108  0.296122  1
  P  P185  1  0.306325  0.914775  0.296122  1
  P  P186  1  0.639659  0.581441  0.296122  1
  P  P187  1  0.295768  0.205042  0.391360  1
  P  P188  1  0.634380  0.226575  0.343741  1
  P  P189  1  0.629102  0.871709  0.391360  1
  P  P190  1  0.284363  0.098574  0.420024  1
  P  P191  1  0.294065  0.808412  0.324687  1
  P  P192  1  0.617696  0.765240  0.420024  1
  P  P193  1  0.289641  0.453440  0.372405  1
  P  P194  1  0.622975  0.120107  0.372405  1
  P  P195  1  0.956308  0.786773  0.372405  1
  P  P196  1  0.627399  0.475079  0.324687  1
  P  P197  1  0.951029  0.431907  0.420024  1
  P  P198  1  0.960732  0.141746  0.324687  1
  P  P199  1  0.020663  0.913036  0.362338  1
  P  P200  1  0.015384  0.558170  0.409958  1
  P  P201  1  0.353996  0.579703  0.362338  1
  P  P202  1  0.025942  0.267902  0.314719  1
  P  P203  1  0.359275  0.934569  0.314719  1
  P  P204  1  0.692608  0.601236  0.314719  1
  P  P205  1  0.348718  0.224836  0.409958  1
  P  P206  1  0.687330  0.246369  0.362338  1
  P  P207  1  0.682051  0.891503  0.409958  1
  P  P208  1  0.231413  0.078779  0.401427  1
  P  P209  1  0.242344  0.789086  0.306501  1
  P  P210  1  0.564746  0.745446  0.401427  1
  P  P211  1  0.236692  0.433646  0.353808  1
  P  P212  1  0.570025  0.100312  0.353808  1
  P  P213  1  0.903358  0.766979  0.353808  1
  P  P214  1  0.575677  0.455752  0.306501  1
  P  P215  1  0.898080  0.412113  0.401427  1
  P  P216  1  0.909010  0.122419  0.306501  1
  P  P217  1  0.105928  0.850244  0.568377  1
  P  P218  1  0.116485  0.559977  0.473139  1
  P  P219  1  0.439261  0.516911  0.568377  1
  P  P220  1  0.111206  0.205111  0.520758  1
  P  P221  1  0.444540  0.871777  0.520758  1
  P  P222  1  0.777873  0.538444  0.520758  1
  P  P223  1  0.449818  0.226644  0.473139  1
  P  P224  1  0.772594  0.183578  0.568377  1
  P  P225  1  0.783152  0.893310  0.473139  1
  P  P226  1  0.114477  0.012373  0.481102  1
  P  P227  1  0.109198  0.657507  0.528721  1
  P  P228  1  0.447810  0.679040  0.481102  1
  P  P229  1  0.119755  0.367239  0.433483  1
  P  P230  1  0.453089  0.033906  0.433483  1
  P  P231  1  0.786422  0.700573  0.433483  1
  P  P232  1  0.442532  0.324173  0.528721  1
  P  P233  1  0.781144  0.345706  0.481102  1
  P  P234  1  0.775865  0.990840  0.528721  1
  P  P235  1  0.103155  0.864994  0.440907  1
  P  P236  1  0.097876  0.510127  0.488526  1
  P  P237  1  0.436488  0.531661  0.440907  1
  P  P238  1  0.092598  0.155261  0.536145  1
  P  P239  1  0.425931  0.821928  0.536145  1
  P  P240  1  0.759265  0.488594  0.536145  1
  P  P241  1  0.431210  0.176794  0.488526  1
  P  P242  1  0.769822  0.198327  0.440907  1
  P  P243  1  0.764543  0.843461  0.488526  1
  P  P244  1  0.133085  0.062222  0.465715  1
  P  P245  1  0.127807  0.707356  0.513334  1
  P  P246  1  0.466419  0.728889  0.465715  1
  P  P247  1  0.122528  0.352490  0.560953  1
  P  P248  1  0.455862  0.019156  0.560953  1
  P  P249  1  0.789195  0.685823  0.560953  1
  P  P250  1  0.461140  0.374023  0.513334  1
  P  P251  1  0.799752  0.395556  0.465715  1
  P  P252  1  0.794473  0.040689  0.513334  1
  P  P253  1  0.166010  0.868229  0.436094  1
  P  P254  1  0.160731  0.513362  0.483713  1
  P  P255  1  0.499343  0.534895  0.436094  1
  P  P256  1  0.155452  0.158496  0.531332  1
  P  P257  1  0.488786  0.825163  0.531332  1
  P  P258  1  0.822119  0.491829  0.531332  1
  P  P259  1  0.494064  0.180029  0.483713  1
  P  P260  1  0.832676  0.201562  0.436094  1
  P  P261  1  0.827398  0.846696  0.483713  1
  P  P262  1  0.070231  0.058988  0.470529  1
  P  P263  1  0.064952  0.704121  0.518148  1
  P  P264  1  0.403564  0.725654  0.470529  1
  P  P265  1  0.059674  0.349255  0.565767  1
  P  P266  1  0.393007  0.015921  0.565767  1
  P  P267  1  0.726340  0.682588  0.565767  1
  P  P268  1  0.398286  0.370788  0.518148  1
  P  P269  1  0.736898  0.392321  0.470529  1
  P  P270  1  0.731619  0.037454  0.518148  1
  P  P271  1  0.113336  0.806101  0.529747  1
  P  P272  1  0.123893  0.515833  0.434509  1
  P  P273  1  0.446669  0.472767  0.529747  1
  P  P274  1  0.118615  0.160967  0.482128  1
  P  P275  1  0.451948  0.827634  0.482128  1
  P  P276  1  0.785281  0.494300  0.482128  1
  P  P277  1  0.457226  0.182500  0.434509  1
  P  P278  1  0.780003  0.139434  0.529747  1
  P  P279  1  0.790560  0.849167  0.434509  1
  P  P280  1  0.107069  0.056516  0.519733  1
  P  P281  1  0.101790  0.701650  0.567352  1
  P  P282  1  0.440402  0.723183  0.519733  1
  P  P283  1  0.112347  0.411383  0.472114  1
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