# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.73411702
_cell_length_b   15.56412531
_cell_length_c   41.85372066
_cell_angle_alpha   90.00000000
_cell_angle_beta   96.34273726
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P335
_cell_volume   13423.8711332
_cell_formula_units_Z   335
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  0.277060  0.199481  0.967037  1
  P  P2  1  0.277060  0.699481  0.967037  1
  P  P3  1  0.777060  0.199481  0.967037  1
  P  P4  1  0.777060  0.699481  0.967037  1
  P  P5  1  0.129387  0.283769  0.975319  1
  P  P6  1  0.129387  0.783769  0.975319  1
  P  P7  1  0.629387  0.283769  0.975319  1
  P  P8  1  0.629387  0.783769  0.975319  1
  P  P9  1  0.016943  0.550400  0.354743  1
  P  P10  1  0.516799  0.050461  0.354663  1
  P  P11  1  0.517418  0.550833  0.354708  1
  P  P12  1  0.270062  0.408877  0.528287  1
  P  P13  1  0.270032  0.908867  0.528260  1
  P  P14  1  0.770136  0.408963  0.528253  1
  P  P15  1  0.770079  0.908621  0.528218  1
  P  P16  1  0.020284  0.159117  0.528847  1
  P  P17  1  0.020312  0.659108  0.528649  1
  P  P18  1  0.520350  0.159010  0.528761  1
  P  P19  1  0.520278  0.658886  0.528761  1
  P  P20  1  0.402185  0.323577  0.966871  1
  P  P21  1  0.402185  0.823577  0.966871  1
  P  P22  1  0.902185  0.323577  0.966871  1
  P  P23  1  0.902185  0.823577  0.966871  1
  P  P24  1  0.263456  0.042479  0.588981  1
  P  P25  1  0.263456  0.542475  0.588988  1
  P  P26  1  0.763491  0.042365  0.588932  1
  P  P27  1  0.763505  0.542506  0.588941  1
  P  P28  1  0.268234  0.302145  0.354202  1
  P  P29  1  0.267763  0.801997  0.354226  1
  P  P30  1  0.768048  0.299929  0.354014  1
  P  P31  1  0.768752  0.803553  0.354243  1
  P  P32  1  0.241065  0.331739  0.598328  1
  P  P33  1  0.241045  0.831707  0.598277  1
  P  P34  1  0.741121  0.331781  0.598305  1
  P  P35  1  0.741051  0.831578  0.598221  1
  P  P36  1  0.115634  0.457636  0.598318  1
  P  P37  1  0.115636  0.957653  0.598351  1
  P  P38  1  0.615642  0.457644  0.598308  1
  P  P39  1  0.615692  0.957655  0.598380  1
  P  P40  1  0.373235  0.074154  0.537229  1
  P  P41  1  0.373167  0.574077  0.537180  1
  P  P42  1  0.873199  0.074116  0.537139  1
  P  P43  1  0.873227  0.574050  0.537041  1
  P  P44  1  0.387926  0.059419  0.090091  1
  P  P45  1  0.387926  0.559419  0.090091  1
  P  P46  1  0.887926  0.059419  0.090091  1
  P  P47  1  0.887926  0.559419  0.090091  1
  P  P48  1  0.145677  0.044774  0.854296  1
  P  P49  1  0.145677  0.544774  0.854296  1
  P  P50  1  0.645677  0.044774  0.854296  1
  P  P51  1  0.645677  0.544774  0.854296  1
  P  P52  1  0.507410  0.050669  0.149478  1
  P  P53  1  0.507410  0.550669  0.149478  1
  P  P54  1  1.007410  0.050669  0.149478  1
  P  P55  1  1.007410  0.550669  0.149478  1
  P  P56  1  0.391385  0.301702  0.854003  1
  P  P57  1  0.391385  0.801702  0.854003  1
  P  P58  1  0.891385  0.301702  0.854003  1
  P  P59  1  0.891385  0.801702  0.854003  1
  P  P60  1  0.233403  0.466146  0.657455  1
  P  P61  1  0.233552  0.965939  0.657442  1
  P  P62  1  0.733416  0.466265  0.657412  1
  P  P63  1  0.733753  0.965676  0.657416  1
  P  P64  1  0.122526  0.323482  0.537258  1
  P  P65  1  0.122526  0.823554  0.537237  1
  P  P66  1  0.622599  0.323505  0.537256  1
  P  P67  1  0.622545  0.823419  0.537287  1
  P  P68  1  0.409034  0.017685  0.405855  1
  P  P69  1  0.408795  0.517822  0.405747  1
  P  P70  1  0.907779  0.017303  0.405872  1
  P  P71  1  0.909527  0.517788  0.405914  1
  P  P72  1  0.504406  0.159033  0.975391  1
  P  P73  1  0.504406  0.659033  0.975391  1
  P  P74  1  1.004406  0.159033  0.975391  1
  P  P75  1  1.004406  0.659033  0.975391  1
  P  P76  1  0.020274  0.316353  0.028768  1
  P  P77  1  0.020274  0.816353  0.028768  1
  P  P78  1  0.520274  0.316353  0.028768  1
  P  P79  1  0.520274  0.816353  0.028768  1
  P  P80  1  0.136755  0.415968  0.914068  1
  P  P81  1  0.136755  0.915968  0.914068  1
  P  P82  1  0.636755  0.415968  0.914068  1
  P  P83  1  0.636755  0.915968  0.914068  1
  P  P84  1  0.026960  0.448734  0.966834  1
  P  P85  1  0.026960  0.948734  0.966834  1
  P  P86  1  0.526960  0.448734  0.966834  1
  P  P87  1  0.526960  0.948734  0.966834  1
  P  P88  1  0.137378  0.059741  0.414542  1
  P  P89  1  0.136505  0.559559  0.413994  1
  P  P90  1  0.636671  0.059318  0.413870  1
  P  P91  1  0.636830  0.559177  0.414097  1
  P  P92  1  0.138366  0.166068  0.590638  1
  P  P93  1  0.138355  0.666037  0.590574  1
  P  P94  1  0.638392  0.166036  0.590580  1
  P  P95  1  0.638395  0.665926  0.590575  1
  P  P96  1  0.145420  0.430447  0.354314  1
  P  P97  1  0.146264  0.931554  0.355103  1
  P  P98  1  0.646250  0.430825  0.354301  1
  P  P99  1  0.644333  0.929216  0.354212  1
  P  P100  1  1.011059  0.182077  0.413480  1
  P  P101  1  1.011306  0.685135  0.413661  1
  P  P102  1  0.511111  0.184011  0.413840  1
  P  P103  1  0.511130  0.683861  0.413880  1
  P  P104  1  0.379003  0.430613  0.149863  1
  P  P105  1  0.379003  0.930613  0.149863  1
  P  P106  1  0.879003  0.430613  0.149863  1
  P  P107  1  0.879003  0.930613  0.149863  1
  P  P108  1  0.391227  0.173820  0.354032  1
  P  P109  1  0.391180  0.673821  0.354058  1
  P  P110  1  0.891212  0.172187  0.354643  1
  P  P111  1  0.891128  0.673631  0.353942  1
  P  P112  1  0.247620  0.275906  0.037122  1
  P  P113  1  0.247620  0.775906  0.037122  1
  P  P114  1  0.747620  0.275906  0.037122  1
  P  P115  1  0.747620  0.775906  0.037122  1
  P  P116  1  0.241002  0.143618  0.098290  1
  P  P117  1  0.241002  0.643618  0.098290  1
  P  P118  1  0.741002  0.143618  0.098290  1
  P  P119  1  0.741002  0.643618  0.098290  1
  P  P120  1  0.395327  0.283742  0.528846  1
  P  P121  1  0.395291  0.783696  0.528857  1
  P  P122  1  0.895398  0.283775  0.528828  1
  P  P123  1  0.895375  0.783661  0.528738  1
  P  P124  1  0.026675  0.026823  0.467041  1
  P  P125  1  0.027049  0.526727  0.466686  1
  P  P126  1  0.527031  0.026656  0.466832  1
  P  P127  1  0.526843  0.526592  0.466801  1
  P  P128  1  0.133295  0.173685  0.150156  1
  P  P129  1  0.133295  0.673685  0.150156  1
  P  P130  1  0.633295  0.173685  0.150156  1
  P  P131  1  0.633295  0.673685  0.150156  1
  P  P132  1  1.011163  0.291379  0.913858  1
  P  P133  1  1.011163  0.791379  0.913858  1
  P  P134  1  0.511163  0.291379  0.913858  1
  P  P135  1  0.511163  0.791379  0.913858  1
  P  P136  1  0.387990  0.415905  0.590095  1
  P  P137  1  0.387971  0.915893  0.590089  1
  P  P138  1  0.888042  0.415979  0.590041  1
  P  P139  1  0.887961  0.915835  0.590049  1
  P  P140  1  0.365994  0.206470  0.598955  1
  P  P141  1  0.365989  0.706424  0.598940  1
  P  P142  1  0.865988  0.206451  0.598900  1
  P  P143  1  0.865994  0.706366  0.598816  1
  P  P144  1  0.158865  0.268956  0.405383  1
  P  P145  1  0.158038  0.769830  0.405276  1
  P  P146  1  0.658466  0.269124  0.405224  1
  P  P147  1  0.658808  0.768469  0.405223  1
  P  P148  1  0.497786  0.448628  0.537315  1
  P  P149  1  0.497824  0.948684  0.537354  1
  P  P150  1  0.997846  0.448569  0.537173  1
  P  P151  1  0.997742  0.948562  0.537352  1
  P  P152  1  0.497720  0.026653  0.037325  1
  P  P153  1  0.497720  0.526653  0.037325  1
  P  P154  1  0.997720  0.026653  0.037325  1
  P  P155  1  0.997720  0.526653  0.037325  1
  P  P156  1  0.034851  0.081906  0.905469  1
  P  P157  1  0.034851  0.581906  0.905469  1
  P  P158  1  0.534851  0.081906  0.905469  1
  P  P159  1  0.534851  0.581906  0.905469  1
  P  P160  1  0.277031  0.275984  0.467079  1
  P  P161  1  0.276896  0.776010  0.467078  1
  P  P162  1  0.777131  0.276148  0.467162  1
  P  P163  1  0.777049  0.775609  0.466909  1
  P  P164  1  0.254626  0.408872  0.975901  1
  P  P165  1  0.254626  0.908872  0.975901  1
  P  P166  1  0.754626  0.408872  0.975901  1
  P  P167  1  0.754626  0.908872  0.975901  1
  P  P168  1  0.291028  0.009398  0.346772  1
  P  P169  1  0.290536  0.510019  0.346733  1
  P  P170  1  0.787251  0.012961  0.346802  1
  P  P171  1  0.792903  0.506942  0.346707  1
  P  P172  1  0.034834  0.392559  0.405401  1
  P  P173  1  0.034555  0.896303  0.405277  1
  P  P174  1  0.534672  0.393661  0.405395  1
  P  P175  1  0.534677  0.893264  0.405574  1
  P  P176  1  0.270054  0.066514  0.028258  1
  P  P177  1  0.270054  0.566514  0.028258  1
  P  P178  1  0.770054  0.066514  0.028258  1
  P  P179  1  0.770054  0.566514  0.028258  1
  P  P180  1  0.365912  0.268889  0.098919  1
  P  P181  1  0.365912  0.768889  0.098919  1
  P  P182  1  0.865912  0.268889  0.098919  1
  P  P183  1  0.865912  0.768889  0.098919  1
  P  P184  1  0.151565  0.074157  0.966994  1
  P  P185  1  0.151565  0.574157  0.966994  1
  P  P186  1  0.651565  0.074157  0.966994  1
  P  P187  1  0.651565  0.574157  0.966994  1
  P  P188  1  0.129238  0.191584  0.475295  1
  P  P189  1  0.129438  0.691571  0.475303  1
  P  P190  1  0.629482  0.191484  0.475264  1
  P  P191  1  0.629410  0.691447  0.475309  1
  P  P192  1  0.256468  0.301766  0.150025  1
  P  P193  1  0.256468  0.801766  0.150025  1
  P  P194  1  0.756468  0.301766  0.150025  1
  P  P195  1  0.756468  0.801766  0.150025  1
  P  P196  1  0.395293  0.191618  0.028840  1
  P  P197  1  0.395293  0.691618  0.028840  1
  P  P198  1  0.895293  0.191618  0.028840  1
  P  P199  1  0.895293  0.691618  0.028840  1
  P  P200  1  0.261268  0.042515  0.915186  1
  P  P201  1  0.261268  0.542515  0.915186  1
  P  P202  1  0.761268  0.042515  0.915186  1
  P  P203  1  0.761268  0.542515  0.915186  1
  P  P204  1  0.261174  0.433097  0.415215  1
  P  P205  1  0.261455  0.933014  0.415365  1
  P  P206  1  0.761531  0.432369  0.415091  1
  P  P207  1  0.760891  0.932891  0.415243  1
  P  P208  1  0.017271  0.424717  0.854681  1
  P  P209  1  0.017271  0.924717  0.854681  1
  P  P210  1  0.517271  0.424717  0.854681  1
  P  P211  1  0.517271  0.924717  0.854681  1
  P  P212  1  0.256521  0.173531  0.650045  1
  P  P213  1  0.256538  0.673631  0.650026  1
  P  P214  1  0.756489  0.173375  0.649978  1
  P  P215  1  0.756639  0.673715  0.650003  1
  P  P216  1  0.504500  0.316294  0.475373  1
  P  P217  1  0.504418  0.816196  0.475449  1
  P  P218  1  1.004463  0.315848  0.475140  1
  P  P219  1  1.004571  0.816676  0.475154  1
  P  P220  1  0.291206  0.466054  0.846715  1
  P  P221  1  0.291206  0.966054  0.846715  1
  P  P222  1  0.791206  0.466054  0.846715  1
  P  P223  1  0.791206  0.966054  0.846715  1
  P  P224  1  0.386362  0.166075  0.913562  1
  P  P225  1  0.386362  0.666075  0.913562  1
  P  P226  1  0.886362  0.166075  0.913562  1
  P  P227  1  0.886362  0.666075  0.913562  1
  P  P228  1  0.263412  0.432871  0.088973  1
  P  P229  1  0.263412  0.932871  0.088973  1
  P  P230  1  0.763412  0.432871  0.088973  1
  P  P231  1  0.763412  0.932871  0.088973  1
  P  P232  1  0.158768  0.206498  0.905240  1
  P  P233  1  0.158768  0.706498  0.905240  1
  P  P234  1  0.658768  0.206498  0.905240  1
  P  P235  1  0.658768  0.706498  0.905240  1
  P  P236  1  0.513517  0.184007  0.090301  1
  P  P237  1  0.513517  0.684007  0.090301  1
  P  P238  1  0.013517  0.184007  0.090301  1
  P  P239  1  0.013517  0.684007  0.090301  1
  P  P240  1  0.115581  0.017647  0.098357  1
  P  P241  1  0.115581  0.517647  0.098357  1
  P  P242  1  0.615581  0.017647  0.098357  1
  P  P243  1  0.615581  0.517647  0.098357  1
  P  P244  1  0.513588  0.291311  0.590295  1
  P  P245  1  0.513583  0.791271  0.590286  1
  P  P246  1  0.013583  0.291426  0.590334  1
  P  P247  1  0.013567  0.791238  0.590274  1
  P  P248  1  0.133360  0.301703  0.650190  1
  P  P249  1  0.133339  0.801622  0.650149  1
  P  P250  1  0.633417  0.301679  0.650142  1
  P  P251  1  0.633355  0.801559  0.650131  1
  P  P252  1  0.379938  0.441057  0.475810  1
  P  P253  1  0.380064  0.941054  0.475877  1
  P  P254  1  0.880126  0.440868  0.475717  1
  P  P255  1  0.879806  0.940991  0.475812  1
  P  P256  1  0.373116  0.401229  0.037165  1
  P  P257  1  0.373116  0.901229  0.037165  1
  P  P258  1  0.873116  0.401229  0.037165  1
  P  P259  1  0.873116  0.901229  0.037165  1
  P  P260  1  0.233474  0.009333  0.157444  1
  P  P261  1  0.233474  0.509333  0.157444  1
  P  P262  1  0.733474  0.009333  0.157444  1
  P  P263  1  0.733474  0.509333  0.157444  1
  P  P264  1  0.268212  0.173620  0.854133  1
  P  P265  1  0.268212  0.673620  0.854133  1
  P  P266  1  0.768212  0.173620  0.854133  1
  P  P267  1  0.768212  0.673620  0.854133  1
  P  P268  1  0.283678  0.331768  0.905869  1
  P  P269  1  0.283678  0.831768  0.905869  1
  P  P270  1  0.783678  0.331768  0.905869  1
  P  P271  1  0.783678  0.831768  0.905869  1
  P  P272  1  0.379915  0.034303  0.975797  1
  P  P273  1  0.379915  0.534303  0.975797  1
  P  P274  1  0.879915  0.034303  0.975797  1
  P  P275  1  0.879915  0.534303  0.975797  1
  P  P276  1  0.151532  0.401367  0.467006  1
  P  P277  1  0.151313  0.901505  0.466940  1
  P  P278  1  0.651554  0.401233  0.466962  1
  P  P279  1  0.651516  0.901095  0.466982  1
  P  P280  1  0.409100  0.457739  0.905802  1
  P  P281  1  0.409100  0.957739  0.905802  1
  P  P282  1  0.909100  0.457739  0.905802  1
  P  P283  1  0.909100  0.957739  0.905802  1
  P  P284  1  0.489942  0.081849  0.598713  1
  P  P285  1  0.489893  0.581816  0.598696  1
  P  P286  1  0.989888  0.081830  0.598700  1
  P  P287  1  0.989898  0.581759  0.598558  1
  P  P288  1  0.122495  0.151809  0.037288  1
  P  P289  1  0.122495  0.651809  0.037288  1
  P  P290  1  0.622495  0.151809  0.037288  1
  P  P291  1  0.622495  0.651809  0.037288  1
  P  P292  1  0.138319  0.309312  0.090597  1
  P  P293  1  0.138319  0.809312  0.090597  1
  P  P294  1  0.638319  0.309312  0.090597  1
  P  P295  1  0.638319  0.809312  0.090597  1
  P  P296  1  0.386332  0.309401  0.413621  1
  P  P297  1  0.386309  0.809256  0.413606  1
  P  P298  1  0.886743  0.309043  0.413338  1
  P  P299  1  0.886515  0.809405  0.413590  1
  P  P300  1  0.144770  0.034366  0.528385  1
  P  P301  1  0.144760  0.534320  0.528359  1
  P  P302  1  0.644798  0.034192  0.528380  1
  P  P303  1  0.644820  0.534234  0.528303  1
  P  P304  1  0.402224  0.151836  0.466899  1
  P  P305  1  0.402040  0.651802  0.466864  1
  P  P306  1  0.902280  0.151894  0.466800  1
  P  P307  1  0.902291  0.651883  0.466747  1
  P  P308  1  0.489829  0.393480  0.098690  1
  P  P309  1  0.489829  0.893480  0.098690  1
  P  P310  1  0.989829  0.393480  0.098690  1
  P  P311  1  0.989829  0.893480  0.098690  1
  P  P312  1  0.254819  0.066650  0.476042  1
  P  P313  1  0.254611  0.566481  0.475921  1
  P  P314  1  0.754573  0.066395  0.476009  1
  P  P315  1  0.754803  0.566341  0.475732  1
  P  P316  1  0.144766  0.441083  0.028362  1
  P  P317  1  0.144766  0.941083  0.028362  1
  P  P318  1  0.644766  0.441083  0.028362  1
  P  P319  1  0.644766  0.941083  0.028362  1
  P  P320  1  0.283667  0.143718  0.405907  1
  P  P321  1  0.283223  0.644056  0.405919  1
  P  P322  1  0.783497  0.144272  0.406355  1
  P  P323  1  0.783657  0.643285  0.405527  1
  P  P324  1  0.379069  0.044694  0.649861  1
  P  P325  1  0.379032  0.544655  0.649869  1
  P  P326  1  0.879105  0.044703  0.649833  1
  P  P327  1  0.879077  0.544749  0.649814  1
  P  P328  1  0.507508  0.424652  0.649471  1
  P  P329  1  0.507441  0.924561  0.649464  1
  P  P330  1  1.007541  0.424859  0.649483  1
  P  P331  1  1.007426  0.924550  0.649448  1
  P  P332  1  0.247664  0.199505  0.537170  1
  P  P333  1  0.247671  0.699409  0.537143  1
  P  P334  1  0.747687  0.199472  0.537159  1
  P  P335  1  0.747695  0.699271  0.537024  1
