# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   40.93326810
_cell_length_b   12.93776015
_cell_length_c   56.45646538
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.84448444
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P336
_cell_volume   29777.5308532
_cell_formula_units_Z   336
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  0.026480  0.353245  0.272351  1
  P  P2  1  0.014479  0.108482  0.285852  1
  P  P3  1  0.629366  0.122574  0.363063  1
  P  P4  1  0.452193  0.542065  0.343729  1
  P  P5  1  0.452387  0.045400  0.343720  1
  P  P6  1  0.021435  0.787196  0.327792  1
  P  P7  1  0.389436  0.436008  0.318431  1
  P  P8  1  0.631232  0.623698  0.369013  1
  P  P9  1  0.378919  0.565323  0.367944  1
  P  P10  1  0.385125  0.312714  0.369754  1
  P  P11  1  0.446710  0.542034  0.286437  1
  P  P12  1  0.904559  0.596742  0.278777  1
  P  P13  1  0.130949  0.307041  0.334912  1
  P  P14  1  0.834437  0.117193  0.365675  1
  P  P15  1  0.131351  0.793987  0.334382  1
  P  P16  1  0.323470  0.329918  0.340437  1
  P  P17  1  0.446864  0.043624  0.286509  1
  P  P18  1  0.575264  0.637355  0.286385  1
  P  P19  1  1.009611  0.040859  0.341818  1
  P  P20  1  0.961794  0.942906  0.302450  1
  P  P21  1  0.068748  0.387320  0.367072  1
  P  P22  1  0.026678  0.855192  0.272849  1
  P  P23  1  0.568371  0.261481  0.338513  1
  P  P24  1  0.389608  0.186610  0.318472  1
  P  P25  1  0.629221  0.375169  0.359769  1
  P  P26  1  0.569760  0.009752  0.338281  1
  P  P27  1  0.841249  0.674260  0.309134  1
  P  P28  1  0.630419  0.871887  0.364644  1
  P  P29  1  0.944512  0.629772  0.373922  1
  P  P30  1  0.891067  0.352815  0.292929  1
  P  P31  1  0.451220  0.795277  0.343730  1
  P  P32  1  0.514599  0.151412  0.370226  1
  P  P33  1  0.839724  0.189904  0.310255  1
  P  P34  1  0.073815  0.955053  0.310436  1
  P  P35  1  0.390825  0.686128  0.317412  1
  P  P36  1  0.377861  0.815077  0.368276  1
  P  P37  1  0.581881  0.137408  0.289470  1
  P  P38  1  0.446333  0.793912  0.285806  1
  P  P39  1  0.944936  0.128320  0.373514  1
  P  P40  1  0.081123  0.132906  0.352103  1
  P  P41  1  0.512840  0.654068  0.370282  1
  P  P42  1  1.008203  0.543301  0.342103  1
  P  P43  1  0.637571  0.545154  0.315942  1
  P  P44  1  0.580218  0.887658  0.288302  1
  P  P45  1  0.962680  0.440613  0.302587  1
  P  P46  1  0.884922  0.783947  0.348668  1
  P  P47  1  0.021190  0.285366  0.327970  1
  P  P48  1  0.508623  0.150475  0.310968  1
  P  P49  1  0.834035  0.615498  0.365521  1
  P  P50  1  0.956402  0.875059  0.358949  1
  P  P51  1  0.070502  0.456828  0.310988  1
  P  P52  1  0.567730  0.515982  0.339003  1
  P  P53  1  0.132115  0.853417  0.278901  1
  P  P54  1  0.365768  0.318986  0.272358  1
  P  P55  1  0.508604  0.900093  0.311759  1
  P  P56  1  0.142445  0.545961  0.320959  1
  P  P57  1  0.069511  0.886977  0.366833  1
  P  P58  1  0.898939  0.529059  0.334428  1
  P  P59  1  0.085054  0.201560  0.296390  1
  P  P60  1  0.897167  0.028934  0.334121  1
  P  P61  1  0.886171  0.283151  0.349280  1
  P  P62  1  0.390475  0.936180  0.317415  1
  P  P63  1  0.372943  0.068482  0.269076  1
  P  P64  1  0.506562  0.653274  0.312496  1
  P  P65  1  0.949667  0.699193  0.317192  1
  P  P66  1  0.828542  0.437114  0.325341  1
  P  P67  1  0.130552  0.381186  0.279418  1
  P  P68  1  0.080232  0.631692  0.353106  1
  P  P69  1  1.011996  0.610436  0.285130  1
  P  P70  1  0.513891  0.402563  0.370024  1
  P  P71  1  0.083673  0.693583  0.295953  1
  P  P72  1  0.379064  0.063482  0.368064  1
  P  P73  1  0.949879  0.196625  0.316947  1
  P  P74  1  0.901913  0.097739  0.279433  1
  P  P75  1  0.572116  0.758216  0.337491  1
  P  P76  1  0.454582  0.293770  0.342667  1
  P  P77  1  0.513796  0.902520  0.369656  1
  P  P78  1  0.890783  0.849596  0.293101  1
  P  P79  1  0.510114  0.401466  0.309906  1
  P  P80  1  0.956983  0.374397  0.359378  1
  P  P81  1  0.589199  0.386129  0.292260  1
  P  P82  1  0.372677  0.565892  0.269142  1
  P  P83  1  0.371933  0.817412  0.268929  1
  P  P84  1  0.444095  0.294009  0.285886  1
  P  P85  1  0.016083  0.720157  0.384048  1
  P  P86  1  1.004851  0.474066  0.398554  1
  P  P87  1  0.623679  0.494150  0.474655  1
  P  P88  1  0.445132  0.922627  0.452543  1
  P  P89  1  0.445408  0.421329  0.452653  1
  P  P90  1  1.011380  0.153141  0.440190  1
  P  P91  1  0.384460  0.813974  0.426111  1
  P  P92  1  0.623988  0.994064  0.471438  1
  P  P93  1  0.371197  0.944021  0.476845  1
  P  P94  1  0.372282  0.692140  0.476749  1
  P  P95  1  0.440198  0.922521  0.394415  1
  P  P96  1  0.891932  0.962027  0.390507  1
  P  P97  1  0.122747  0.670250  0.448081  1
  P  P98  1  0.823569  0.483347  0.478139  1
  P  P99  1  0.123104  0.158843  0.447299  1
  P  P100  1  0.312429  0.828574  0.450640  1
  P  P101  1  0.441766  0.423867  0.395288  1
  P  P102  1  0.576474  0.011080  0.396701  1
  P  P103  1  0.999962  0.405770  0.454575  1
  P  P104  1  0.951117  0.308031  0.415357  1
  P  P105  1  0.059565  0.751801  0.479323  1
  P  P106  1  0.016525  0.219687  0.384135  1
  P  P107  1  0.564593  0.638772  0.446979  1
  P  P108  1  0.382830  0.562690  0.425957  1
  P  P109  1  0.624208  0.744580  0.473430  1
  P  P110  1  0.564315  0.388409  0.447339  1
  P  P111  1  0.828500  0.042772  0.421625  1
  P  P112  1  0.624141  0.244941  0.473745  1
  P  P113  1  0.934686  0.993856  0.486067  1
  P  P114  1  0.880058  0.717671  0.405074  1
  P  P115  1  0.445337  0.172288  0.452658  1
  P  P116  1  0.507394  0.529098  0.478763  1
  P  P117  1  0.828081  0.555263  0.422301  1
  P  P118  1  0.064799  0.318500  0.423260  1
  P  P119  1  0.383270  0.066002  0.425960  1
  P  P120  1  0.371743  0.192417  0.477222  1
  P  P121  1  0.575488  0.508671  0.396500  1
  P  P122  1  0.442015  0.170673  0.395149  1
  P  P123  1  0.934598  0.493267  0.485865  1
  P  P124  1  0.071169  0.498845  0.464643  1
  P  P125  1  0.507274  0.029451  0.478915  1
  P  P126  1  0.999445  0.906314  0.454566  1
  P  P127  1  0.634408  0.851466  0.422224  1
  P  P128  1  0.576777  0.261436  0.396150  1
  P  P129  1  0.951554  0.807882  0.415444  1
  P  P130  1  0.874555  0.148519  0.461105  1
  P  P131  1  1.011168  0.652298  0.440280  1
  P  P132  1  0.502682  0.531199  0.421081  1
  P  P133  1  0.822913  0.981187  0.478128  1
  P  P134  1  0.945884  0.240381  0.471406  1
  P  P135  1  0.063607  0.818315  0.422939  1
  P  P136  1  0.562927  0.887661  0.447274  1
  P  P137  1  0.126854  0.232044  0.391293  1
  P  P138  1  0.323575  0.704693  0.400503  1
  P  P139  1  0.503209  0.280465  0.421070  1
  P  P140  1  0.133547  0.910234  0.432967  1
  P  P141  1  0.060167  0.251078  0.479272  1
  P  P142  1  0.887311  0.895943  0.446997  1
  P  P143  1  0.076356  0.565268  0.409013  1
  P  P144  1  0.886095  0.395421  0.446660  1
  P  P145  1  0.875292  0.648956  0.461603  1
  P  P146  1  0.382840  0.314228  0.426501  1
  P  P147  1  0.323965  0.452410  0.395071  1
  P  P148  1  0.502514  0.029512  0.420905  1
  P  P149  1  0.939816  0.061885  0.429781  1
  P  P150  1  0.817400  0.803051  0.437493  1
  P  P151  1  0.127575  0.734639  0.391613  1
  P  P152  1  0.070821  0.997070  0.464925  1
  P  P153  1  1.004489  0.973952  0.398194  1
  P  P154  1  0.507010  0.778873  0.478824  1
  P  P155  1  0.075874  0.064546  0.408300  1
  P  P156  1  0.372235  0.441845  0.477171  1
  P  P157  1  0.939601  0.560868  0.429822  1
  P  P158  1  0.891208  0.462421  0.390572  1
  P  P159  1  0.564016  0.138272  0.447091  1
  P  P160  1  0.445307  0.670479  0.452462  1
  P  P161  1  0.507607  0.278849  0.479000  1
  P  P162  1  0.879945  0.214878  0.405355  1
  P  P163  1  0.501213  0.780551  0.421031  1
  P  P164  1  0.946355  0.740382  0.471745  1
  P  P165  1  0.573439  0.761231  0.395929  1
  P  P166  1  0.323688  0.956209  0.401238  1
  P  P167  1  0.324062  0.207910  0.395149  1
  P  P168  1  0.439724  0.672498  0.394468  1
  P  P169  1  1.006151  0.085113  0.496113  1
  P  P170  1  0.994952  0.838588  0.510774  1
  P  P171  1  0.616774  0.871060  0.587030  1
  P  P172  1  0.439624  0.298418  0.561148  1
  P  P173  1  0.437627  0.798504  0.561109  1
  P  P174  1  1.001235  0.518101  0.552358  1
  P  P175  1  0.377909  0.191308  0.534906  1
  P  P176  1  0.617261  0.374277  0.581676  1
  P  P177  1  0.367397  0.317738  0.586251  1
  P  P178  1  0.364362  0.067889  0.585478  1
  P  P179  1  0.433826  0.300096  0.503356  1
  P  P180  1  0.881271  0.327168  0.502857  1
  P  P181  1  0.112336  0.036197  0.560554  1
  P  P182  1  0.813982  0.846926  0.590887  1
  P  P183  1  0.112755  0.523706  0.559879  1
  P  P184  1  0.306428  0.227503  0.559955  1
  P  P185  1  0.433229  0.800120  0.503180  1
  P  P186  1  0.568554  0.386829  0.505431  1
  P  P187  1  0.989719  0.770938  0.566823  1
  P  P188  1  0.940874  0.673199  0.527604  1
  P  P189  1  0.048904  0.116942  0.591673  1
  P  P190  1  1.006238  0.585702  0.496314  1
  P  P191  1  0.557567  0.012967  0.556219  1
  P  P192  1  0.376820  0.940697  0.535089  1
  P  P193  1  0.617148  0.122760  0.580941  1
  P  P194  1  0.557996  0.764741  0.555678  1
  P  P195  1  0.818089  0.408719  0.534099  1
  P  P196  1  0.616871  0.626559  0.587109  1
  P  P197  1  0.924753  0.358812  0.598131  1
  P  P198  1  0.870015  0.081900  0.517255  1
  P  P199  1  0.438154  0.547771  0.561098  1
  P  P200  1  0.498821  0.908296  0.587030  1
  P  P201  1  0.817732  0.920127  0.534880  1
  P  P202  1  0.054741  0.683548  0.535520  1
  P  P203  1  0.376243  0.440197  0.535200  1
  P  P204  1  0.365348  0.570298  0.585680  1
  P  P205  1  0.569093  0.886552  0.504957  1
  P  P206  1  0.433443  0.549871  0.503417  1
  P  P207  1  0.924311  0.859282  0.598044  1
  P  P208  1  0.060891  0.864091  0.576824  1
  P  P209  1  0.501113  0.406471  0.587712  1
  P  P210  1  0.989282  0.271087  0.566735  1
  P  P211  1  0.628407  0.250395  0.531539  1
  P  P212  1  0.568601  0.637124  0.505009  1
  P  P213  1  0.941391  0.172655  0.527613  1
  P  P214  1  0.864480  0.513702  0.573166  1
  P  P215  1  1.001020  0.017084  0.552399  1
  P  P216  1  0.495499  0.906682  0.529522  1
  P  P217  1  0.813261  0.344330  0.590566  1
  P  P218  1  0.935985  0.604903  0.583626  1
  P  P219  1  0.053525  0.183026  0.535183  1
  P  P220  1  0.556376  0.264995  0.556068  1
  P  P221  1  0.117267  0.595622  0.504041  1
  P  P222  1  0.316848  0.084906  0.510742  1
  P  P223  1  0.495428  0.657640  0.529526  1
  P  P224  1  0.123436  0.275919  0.544687  1
  P  P225  1  0.049628  0.616548  0.591607  1
  P  P226  1  0.877229  0.260654  0.559240  1
  P  P227  1  0.066281  0.930451  0.521075  1
  P  P228  1  0.876037  0.760469  0.558920  1
  P  P229  1  0.864962  0.014423  0.573880  1
  P  P230  1  0.376521  0.690560  0.534841  1
  P  P231  1  0.316695  0.834028  0.508434  1
  P  P232  1  0.495529  0.408490  0.529717  1
  P  P233  1  0.929668  0.426671  0.541899  1
  P  P234  1  0.807289  0.168735  0.549212  1
  P  P235  1  0.117923  0.097783  0.504052  1
  P  P236  1  0.060778  0.361298  0.577105  1
  P  P237  1  0.994481  0.338587  0.510435  1
  P  P238  1  0.500638  0.156448  0.587765  1
  P  P239  1  0.065544  0.430014  0.520577  1
  P  P240  1  0.364059  0.817534  0.586030  1
  P  P241  1  0.929456  0.925829  0.541990  1
  P  P242  1  0.880669  0.827891  0.502907  1
  P  P243  1  0.558007  0.516280  0.556222  1
  P  P244  1  0.438322  0.049457  0.561275  1
  P  P245  1  0.499070  0.655102  0.586891  1
  P  P246  1  0.869667  0.580124  0.517537  1
  P  P247  1  0.495704  0.156342  0.529636  1
  P  P248  1  0.936347  0.105017  0.583985  1
  P  P249  1  0.569639  0.134948  0.505334  1
  P  P250  1  0.316628  0.334390  0.508749  1
  P  P251  1  0.317157  0.584820  0.507525  1
  P  P252  1  0.433562  0.049518  0.503265  1
  P  P253  1  0.996325  0.449197  0.608257  1
  P  P254  1  0.984434  0.203910  0.623230  1
  P  P255  1  0.568903  0.261557  0.713251  1
  P  P256  1  0.430722  0.677503  0.672274  1
  P  P257  1  0.432232  0.178876  0.670421  1
  P  P258  1  0.990957  0.882344  0.665233  1
  P  P259  1  0.373106  0.562987  0.643176  1
  P  P260  1  0.575068  0.759984  0.709821  1
  P  P261  1  0.351638  0.692840  0.689919  1
  P  P262  1  0.365572  0.441614  0.695795  1
  P  P263  1  0.426945  0.676407  0.612156  1
  P  P264  1  0.872088  0.691649  0.615108  1
  P  P265  1  0.099588  0.404709  0.673045  1
  P  P266  1  0.808721  0.225553  0.703279  1
  P  P267  1  0.101112  0.889065  0.671924  1
  P  P268  1  0.303265  0.533816  0.666237  1
  P  P269  1  0.427040  0.176449  0.612524  1
  P  P270  1  0.555712  0.766255  0.612425  1
  P  P271  1  0.979042  0.136063  0.679729  1
  P  P272  1  0.931225  0.038110  0.640361  1
  P  P273  1  0.036277  0.482227  0.703402  1
  P  P274  1  0.995901  0.950649  0.608665  1
  P  P275  1  0.550011  0.392841  0.664768  1
  P  P276  1  0.368720  0.320753  0.644689  1
  P  P277  1  0.568159  0.513077  0.713038  1
  P  P278  1  0.550361  0.142789  0.664764  1
  P  P279  1  0.809887  0.771928  0.647268  1
  P  P280  1  0.567893  0.010487  0.713103  1
  P  P281  1  0.914356  0.725724  0.709828  1
  P  P282  1  0.860605  0.447277  0.629073  1
  P  P283  1  0.432213  0.928494  0.671211  1
  P  P284  1  0.494503  0.285057  0.696374  1
  P  P285  1  0.809485  0.284983  0.647798  1
  P  P286  1  0.043669  0.050035  0.648059  1
  P  P287  1  0.372465  0.817488  0.643666  1
  P  P288  1  0.358955  0.941561  0.692710  1
  P  P289  1  0.562975  0.263892  0.613904  1
  P  P290  1  0.426237  0.927557  0.611953  1
  P  P291  1  0.914158  0.223777  0.709331  1
  P  P292  1  0.050053  0.229373  0.689079  1
  P  P293  1  0.496741  0.784960  0.696294  1
  P  P294  1  0.978156  0.638356  0.679593  1
  P  P295  1  0.617367  0.749051  0.641743  1
  P  P296  1  0.561772  0.015488  0.614115  1
  P  P297  1  0.932633  0.535668  0.640077  1
  P  P298  1  0.855782  0.877409  0.685790  1
  P  P299  1  0.991169  0.379776  0.664988  1
  P  P300  1  0.489616  0.283693  0.638449  1
  P  P301  1  0.810284  0.697783  0.702761  1
  P  P302  1  0.926357  0.970487  0.696327  1
  P  P303  1  0.041897  0.549911  0.647751  1
  P  P304  1  0.551400  0.642961  0.663749  1
  P  P305  1  0.106399  0.961777  0.616504  1
  P  P306  1  0.309604  0.455272  0.613166  1
  P  P307  1  0.488449  0.033569  0.638460  1
  P  P308  1  0.112294  0.641855  0.656838  1
  P  P309  1  0.038924  0.981230  0.702746  1
  P  P310  1  0.870334  0.622141  0.671191  1
  P  P311  1  0.055914  0.295023  0.633511  1
  P  P312  1  0.867021  0.123917  0.671743  1
  P  P313  1  0.857163  0.385386  0.686226  1
  P  P314  1  0.371076  0.069217  0.643899  1
  P  P315  1  0.310417  0.207082  0.617535  1
  P  P316  1  0.486254  0.785199  0.639513  1
  P  P317  1  0.919647  0.793603  0.654209  1
  P  P318  1  0.798391  0.533008  0.661221  1
  P  P319  1  0.106801  0.463471  0.616659  1
  P  P320  1  0.049769  0.726154  0.689250  1
  P  P321  1  0.983853  0.704572  0.622801  1
  P  P322  1  0.494126  0.536935  0.695743  1
  P  P323  1  0.054665  0.795818  0.632900  1
  P  P324  1  0.360619  0.191311  0.693878  1
  P  P325  1  0.919401  0.291773  0.654388  1
  P  P326  1  0.871325  0.191992  0.615347  1
  P  P327  1  0.551228  0.892360  0.663708  1
  P  P328  1  0.434274  0.425695  0.669684  1
  P  P329  1  0.493972  0.035345  0.695670  1
  P  P330  1  0.859713  0.946063  0.630076  1
  P  P331  1  0.488643  0.536904  0.638451  1
  P  P332  1  0.928840  0.468533  0.697049  1
  P  P333  1  0.561917  0.513646  0.614235  1
  P  P334  1  0.311615  0.703801  0.622411  1
  P  P335  1  0.311471  0.956396  0.619116  1
  P  P336  1  0.427997  0.424902  0.611898  1
