# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.68463073
_cell_length_b   15.67663649
_cell_length_c   41.66932875
_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   13429.2142778
_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  0.279098  0.196714  0.969012  1
  P  P2  1  0.279075  0.696567  0.969047  1
  P  P3  1  0.779043  0.196542  0.969122  1
  P  P4  1  0.778864  0.696522  0.969077  1
  P  P5  1  0.130887  0.280089  0.977492  1
  P  P6  1  0.130877  0.780116  0.977608  1
  P  P7  1  0.631064  0.279767  0.977733  1
  P  P8  1  0.630907  0.779933  0.977571  1
  P  P9  1  0.018802  0.046504  0.356827  1
  P  P10  1  0.018802  0.546504  0.356827  1
  P  P11  1  0.518802  0.046504  0.356827  1
  P  P12  1  0.518802  0.546504  0.356827  1
  P  P13  1  0.271936  0.405041  0.530418  1
  P  P14  1  0.271936  0.905041  0.530418  1
  P  P15  1  0.771936  0.405041  0.530418  1
  P  P16  1  0.771936  0.905041  0.530418  1
  P  P17  1  0.022212  0.155294  0.530953  1
  P  P18  1  0.022212  0.655294  0.530953  1
  P  P19  1  0.522212  0.155294  0.530953  1
  P  P20  1  0.522212  0.655294  0.530953  1
  P  P21  1  0.404065  0.320609  0.969185  1
  P  P22  1  0.404101  0.820374  0.968789  1
  P  P23  1  0.904169  0.320606  0.968947  1
  P  P24  1  0.904020  0.820664  0.968926  1
  P  P25  1  0.265248  0.038967  0.591138  1
  P  P26  1  0.265248  0.538967  0.591138  1
  P  P27  1  0.765248  0.038967  0.591138  1
  P  P28  1  0.765248  0.538967  0.591138  1
  P  P29  1  0.270131  0.298405  0.356295  1
  P  P30  1  0.270131  0.798405  0.356295  1
  P  P31  1  0.770131  0.298405  0.356295  1
  P  P32  1  0.770131  0.798405  0.356295  1
  P  P33  1  0.242758  0.329077  0.600792  1
  P  P34  1  0.242758  0.829077  0.600792  1
  P  P35  1  0.742758  0.329077  0.600792  1
  P  P36  1  0.742758  0.829077  0.600792  1
  P  P37  1  0.117126  0.455000  0.600615  1
  P  P38  1  0.117126  0.955000  0.600615  1
  P  P39  1  0.617126  0.455000  0.600615  1
  P  P40  1  0.617126  0.955000  0.600615  1
  P  P41  1  0.374658  0.071201  0.539492  1
  P  P42  1  0.374658  0.571201  0.539492  1
  P  P43  1  0.874658  0.071201  0.539492  1
  P  P44  1  0.874658  0.571201  0.539492  1
  P  P45  1  0.389846  0.055873  0.092327  1
  P  P46  1  0.389836  0.555978  0.092305  1
  P  P47  1  0.889871  0.055994  0.092335  1
  P  P48  1  0.889840  0.556009  0.092278  1
  P  P49  1  0.147869  0.042180  0.856504  1
  P  P50  1  0.146454  0.543020  0.856396  1
  P  P51  1  0.647436  0.041539  0.856512  1
  P  P52  1  0.647110  0.540861  0.856551  1
  P  P53  1  0.509325  0.046460  0.151780  1
  P  P54  1  0.509356  0.546500  0.151762  1
  P  P55  1  1.009372  0.046554  0.151763  1
  P  P56  1  1.009280  0.546650  0.151741  1
  P  P57  1  0.392777  0.799282  0.856191  1
  P  P58  1  0.892754  0.299060  0.856135  1
  P  P59  1  0.892751  0.799114  0.856183  1
  P  P60  1  0.234541  0.464008  0.659914  1
  P  P61  1  0.234541  0.964008  0.659914  1
  P  P62  1  0.734541  0.464008  0.659914  1
  P  P63  1  0.734541  0.964008  0.659914  1
  P  P64  1  0.124010  0.320570  0.539657  1
  P  P65  1  0.124010  0.820570  0.539657  1
  P  P66  1  0.624010  0.320570  0.539657  1
  P  P67  1  0.624010  0.820570  0.539657  1
  P  P68  1  0.410990  0.013386  0.407988  1
  P  P69  1  0.410990  0.513386  0.407988  1
  P  P70  1  0.910990  0.013386  0.407988  1
  P  P71  1  0.910990  0.513386  0.407988  1
  P  P72  1  0.505952  0.155121  0.977784  1
  P  P73  1  0.505891  0.655322  0.977559  1
  P  P74  1  1.005927  0.155405  0.977636  1
  P  P75  1  1.005881  0.655441  0.977667  1
  P  P76  1  0.022263  0.313173  0.030941  1
  P  P77  1  0.022192  0.813229  0.030929  1
  P  P78  1  0.522263  0.313100  0.030980  1
  P  P79  1  0.522146  0.812989  0.030918  1
  P  P80  1  0.138380  0.412618  0.916048  1
  P  P81  1  0.138364  0.912777  0.916273  1
  P  P82  1  0.638475  0.412152  0.916484  1
  P  P83  1  0.638252  0.912225  0.916287  1
  P  P84  1  0.028948  0.445731  0.968892  1
  P  P85  1  0.028887  0.945890  0.968910  1
  P  P86  1  0.528615  0.445565  0.968773  1
  P  P87  1  0.528883  0.945493  0.968952  1
  P  P88  1  0.138287  0.055939  0.416277  1
  P  P89  1  0.138287  0.555939  0.416277  1
  P  P90  1  0.638287  0.055939  0.416277  1
  P  P91  1  0.638287  0.555939  0.416277  1
  P  P92  1  0.140166  0.162643  0.592870  1
  P  P93  1  0.140166  0.662643  0.592870  1
  P  P94  1  0.640166  0.162643  0.592870  1
  P  P95  1  0.640166  0.662643  0.592870  1
  P  P96  1  0.147485  0.426826  0.356468  1
  P  P97  1  0.147485  0.926826  0.356468  1
  P  P98  1  0.647485  0.426826  0.356468  1
  P  P99  1  0.647485  0.926826  0.356468  1
  P  P100  1  1.012733  0.180508  0.415988  1
  P  P101  1  1.012733  0.680508  0.415988  1
  P  P102  1  0.512733  0.180508  0.415988  1
  P  P103  1  0.512733  0.680508  0.415988  1
  P  P104  1  0.380658  0.426866  0.152114  1
  P  P105  1  0.380694  0.926680  0.152111  1
  P  P106  1  0.880562  0.427025  0.152108  1
  P  P107  1  0.880692  0.926829  0.152132  1
  P  P108  1  0.392824  0.169293  0.356145  1
  P  P109  1  0.392824  0.669293  0.356145  1
  P  P110  1  0.892824  0.169293  0.356145  1
  P  P111  1  0.892824  0.669293  0.356145  1
  P  P112  1  0.249145  0.271909  0.039422  1
  P  P113  1  0.249151  0.771795  0.039448  1
  P  P114  1  0.749194  0.271819  0.039559  1
  P  P115  1  0.749146  0.771846  0.039510  1
  P  P116  1  0.242793  0.139378  0.100728  1
  P  P117  1  0.242768  0.639300  0.100711  1
  P  P118  1  0.742831  0.139318  0.100835  1
  P  P119  1  0.742772  0.639307  0.100795  1
  P  P120  1  0.397215  0.279939  0.531025  1
  P  P121  1  0.397215  0.779939  0.531025  1
  P  P122  1  0.897215  0.279939  0.531025  1
  P  P123  1  0.897215  0.779939  0.531025  1
  P  P124  1  0.028903  0.022684  0.468939  1
  P  P125  1  0.028903  0.522684  0.468939  1
  P  P126  1  0.528903  0.022684  0.468939  1
  P  P127  1  0.528903  0.522684  0.468939  1
  P  P128  1  0.135378  0.169299  0.152433  1
  P  P129  1  0.135308  0.669357  0.152398  1
  P  P130  1  0.635325  0.169297  0.152472  1
  P  P131  1  0.635261  0.669326  0.152424  1
  P  P132  1  1.012780  0.288016  0.915933  1
  P  P133  1  1.012669  0.788110  0.916009  1
  P  P134  1  0.513159  0.287413  0.916523  1
  P  P135  1  0.512551  0.787634  0.915931  1
  P  P136  1  0.389830  0.412447  0.592325  1
  P  P137  1  0.389830  0.912447  0.592325  1
  P  P138  1  0.889830  0.412447  0.592325  1
  P  P139  1  0.889830  0.912447  0.592325  1
  P  P140  1  0.367479  0.203610  0.601324  1
  P  P141  1  0.367479  0.703610  0.601324  1
  P  P142  1  0.867479  0.203610  0.601324  1
  P  P143  1  0.867479  0.703610  0.601324  1
  P  P144  1  0.160637  0.264776  0.407279  1
  P  P145  1  0.160637  0.764776  0.407279  1
  P  P146  1  0.660637  0.264776  0.407279  1
  P  P147  1  0.660637  0.764776  0.407279  1
  P  P148  1  0.499214  0.445702  0.539663  1
  P  P149  1  0.499214  0.945702  0.539663  1
  P  P150  1  0.999214  0.445702  0.539663  1
  P  P151  1  0.999214  0.945702  0.539663  1
  P  P152  1  0.499275  0.022601  0.039720  1
  P  P153  1  0.499150  0.522668  0.039527  1
  P  P154  1  0.999241  0.022778  0.039661  1
  P  P155  1  0.999253  0.522716  0.039635  1
  P  P156  1  0.036802  0.079361  0.907497  1
  P  P157  1  0.036494  0.579310  0.907586  1
  P  P158  1  0.536859  0.079010  0.907668  1
  P  P159  1  0.536039  0.578246  0.907418  1
  P  P160  1  0.279001  0.271825  0.469101  1
  P  P161  1  0.279001  0.771825  0.469101  1
  P  P162  1  0.779001  0.271825  0.469101  1
  P  P163  1  0.779001  0.771825  0.469101  1
  P  P164  1  0.256107  0.405036  0.978050  1
  P  P165  1  0.256218  0.905058  0.978179  1
  P  P166  1  0.756318  0.405029  0.978246  1
  P  P167  1  0.756198  0.905044  0.978209  1
  P  P168  1  0.293576  0.004378  0.348689  1
  P  P169  1  0.293576  0.504378  0.348689  1
  P  P170  1  0.793576  0.004378  0.348689  1
  P  P171  1  0.793576  0.504378  0.348689  1
  P  P172  1  0.036716  0.389262  0.407522  1
  P  P173  1  0.036716  0.889262  0.407522  1
  P  P174  1  0.536716  0.389262  0.407522  1
  P  P175  1  0.536716  0.889262  0.407522  1
  P  P176  1  0.271983  0.063397  0.030365  1
  P  P177  1  0.272016  0.563284  0.030298  1
  P  P178  1  0.771962  0.063356  0.030441  1
  P  P179  1  0.771891  0.563387  0.030395  1
  P  P180  1  0.367482  0.264838  0.101306  1
  P  P181  1  0.367504  0.764762  0.101227  1
  P  P182  1  0.867542  0.264839  0.101351  1
  P  P183  1  0.867508  0.764801  0.101326  1
  P  P184  1  0.153515  0.071395  0.969078  1
  P  P185  1  0.153368  0.571278  0.969092  1
  P  P186  1  0.653492  0.071094  0.969159  1
  P  P187  1  0.653262  0.571118  0.969075  1
  P  P188  1  0.130901  0.188448  0.477578  1
  P  P189  1  0.130901  0.688448  0.477578  1
  P  P190  1  0.630901  0.188448  0.477578  1
  P  P191  1  0.630901  0.688448  0.477578  1
  P  P192  1  0.258004  0.298475  0.152283  1
  P  P193  1  0.258022  0.798375  0.152233  1
  P  P194  1  0.758037  0.298404  0.152313  1
  P  P195  1  0.757964  0.798474  0.152291  1
  P  P196  1  0.397230  0.188413  0.031086  1
  P  P197  1  0.397210  0.688229  0.030903  1
  P  P198  1  0.897256  0.188508  0.031035  1
  P  P199  1  0.897181  0.688524  0.030997  1
  P  P200  1  0.263175  0.039131  0.917549  1
  P  P201  1  0.262621  0.539202  0.917506  1
  P  P202  1  0.762841  0.038907  0.917491  1
  P  P203  1  0.762834  0.538916  0.917487  1
  P  P204  1  0.262868  0.429419  0.417465  1
  P  P205  1  0.262868  0.929419  0.417465  1
  P  P206  1  0.762868  0.429419  0.417465  1
  P  P207  1  0.762868  0.929419  0.417465  1
  P  P208  1  0.018488  0.422166  0.856783  1
  P  P209  1  0.018961  0.922074  0.856876  1
  P  P210  1  0.519681  0.419939  0.857767  1
  P  P211  1  0.518785  0.921917  0.856860  1
  P  P212  1  0.257985  0.169981  0.652307  1
  P  P213  1  0.257985  0.669981  0.652307  1
  P  P214  1  0.757985  0.169981  0.652307  1
  P  P215  1  0.757985  0.669981  0.652307  1
  P  P216  1  0.505904  0.313093  0.477649  1
  P  P217  1  0.505904  0.813093  0.477649  1
  P  P218  1  1.005904  0.313093  0.477649  1
  P  P219  1  1.005904  0.813093  0.477649  1
  P  P220  1  0.291315  0.466310  0.849198  1
  P  P221  1  0.293669  0.964385  0.848673  1
  P  P222  1  0.793386  0.463880  0.848696  1
  P  P223  1  0.793389  0.963841  0.848698  1
  P  P224  1  0.388229  0.163377  0.915931  1
  P  P225  1  0.387865  0.661661  0.915447  1
  P  P226  1  0.887994  0.162662  0.915747  1
  P  P227  1  0.887859  0.662723  0.915742  1
  P  P228  1  0.265257  0.429468  0.091105  1
  P  P229  1  0.265300  0.929421  0.091072  1
  P  P230  1  0.765232  0.429481  0.091115  1
  P  P231  1  0.765267  0.929445  0.091151  1
  P  P232  1  0.160920  0.203923  0.907228  1
  P  P233  1  0.160466  0.704125  0.907392  1
  P  P234  1  0.660617  0.203604  0.907310  1
  P  P235  1  0.660223  0.703172  0.907260  1
  P  P236  1  0.515413  0.180510  0.092647  1
  P  P237  1  0.515353  0.680436  0.092554  1
  P  P238  1  0.015434  0.180577  0.092608  1
  P  P239  1  0.015395  0.680576  0.092565  1
  P  P240  1  0.117178  0.013444  0.100587  1
  P  P241  1  0.117130  0.513407  0.100595  1
  P  P242  1  0.617202  0.013317  0.100679  1
  P  P243  1  0.617063  0.513447  0.100539  1
  P  P244  1  0.515383  0.287878  0.592614  1
  P  P245  1  0.515383  0.787878  0.592614  1
  P  P246  1  0.015383  0.287878  0.592614  1
  P  P247  1  0.015383  0.787878  0.592614  1
  P  P248  1  0.135293  0.299093  0.652458  1
  P  P249  1  0.135293  0.799093  0.652458  1
  P  P250  1  0.635293  0.299093  0.652458  1
  P  P251  1  0.635293  0.799093  0.652458  1
  P  P252  1  0.381455  0.437777  0.478131  1
  P  P253  1  0.381455  0.937777  0.478131  1
  P  P254  1  0.881455  0.437777  0.478131  1
  P  P255  1  0.881455  0.937777  0.478131  1
  P  P256  1  0.374604  0.397379  0.039474  1
  P  P257  1  0.374723  0.897097  0.039414  1
  P  P258  1  0.874715  0.397223  0.039507  1
  P  P259  1  0.874685  0.897248  0.039509  1
  P  P260  1  0.234676  0.004414  0.159847  1
  P  P261  1  0.234615  0.504506  0.159875  1
  P  P262  1  0.734684  0.004471  0.159959  1
  P  P263  1  0.734311  0.504246  0.159884  1
  P  P264  1  0.271177  0.169671  0.857068  1
  P  P265  1  0.269460  0.671130  0.856228  1
  P  P266  1  0.770133  0.169864  0.856327  1
  P  P267  1  0.769858  0.669798  0.856345  1
  P  P268  1  0.285525  0.329143  0.907740  1
  P  P269  1  0.285525  0.829283  0.907846  1
  P  P270  1  0.785392  0.328983  0.907835  1
  P  P271  1  0.785154  0.828923  0.907806  1
  P  P272  1  0.381553  0.030654  0.978125  1
  P  P273  1  0.381557  0.530308  0.977768  1
  P  P274  1  0.881473  0.030664  0.978143  1
  P  P275  1  0.881499  0.530669  0.978132  1
  P  P276  1  0.153459  0.397185  0.469110  1
  P  P277  1  0.153459  0.897185  0.469110  1
  P  P278  1  0.653459  0.397185  0.469110  1
  P  P279  1  0.653459  0.897185  0.469110  1
  P  P280  1  0.410520  0.452812  0.907418  1
  P  P281  1  0.411024  0.955583  0.907962  1
  P  P282  1  0.910866  0.455019  0.907985  1
  P  P283  1  0.910921  0.955083  0.907960  1
  P  P284  1  0.491400  0.079124  0.601081  1
  P  P285  1  0.491400  0.579124  0.601081  1
  P  P286  1  0.991400  0.079124  0.601081  1
  P  P287  1  0.991400  0.579124  0.601081  1
  P  P288  1  0.124035  0.147928  0.039618  1
  P  P289  1  0.124032  0.647844  0.039635  1
  P  P290  1  0.624089  0.147733  0.039754  1
  P  P291  1  0.624005  0.647843  0.039621  1
  P  P292  1  0.140211  0.305786  0.092843  1
  P  P293  1  0.140195  0.805805  0.092810  1
  P  P294  1  0.640194  0.305808  0.092890  1
  P  P295  1  0.640154  0.805691  0.092843  1
  P  P296  1  0.387950  0.305744  0.415733  1
  P  P297  1  0.387950  0.805744  0.415733  1
  P  P298  1  0.887950  0.305744  0.415733  1
  P  P299  1  0.887950  0.805744  0.415733  1
  P  P300  1  0.146662  0.030609  0.530471  1
  P  P301  1  0.146662  0.530609  0.530471  1
  P  P302  1  0.646662  0.030609  0.530471  1
  P  P303  1  0.646662  0.530609  0.530471  1
  P  P304  1  0.404107  0.147817  0.468945  1
  P  P305  1  0.404107  0.647817  0.468945  1
  P  P306  1  0.904107  0.147817  0.468945  1
  P  P307  1  0.904107  0.647817  0.468945  1
  P  P308  1  0.491381  0.389342  0.101038  1
  P  P309  1  0.491444  0.889201  0.101074  1
  P  P310  1  0.991428  0.389328  0.101082  1
  P  P311  1  0.991449  0.889311  0.101077  1
  P  P312  1  0.256181  0.063345  0.478184  1
  P  P313  1  0.256181  0.563345  0.478184  1
  P  P314  1  0.756181  0.063345  0.478184  1
  P  P315  1  0.756181  0.563345  0.478184  1
  P  P316  1  0.146714  0.437824  0.030444  1
  P  P317  1  0.146680  0.937917  0.030439  1
  P  P318  1  0.646606  0.437807  0.030421  1
  P  P319  1  0.646649  0.937719  0.030495  1
  P  P320  1  0.285359  0.139309  0.407810  1
  P  P321  1  0.285359  0.639309  0.407810  1
  P  P322  1  0.785359  0.139309  0.407810  1
  P  P323  1  0.785359  0.639309  0.407810  1
  P  P324  1  0.380631  0.041560  0.652135  1
  P  P325  1  0.380631  0.541560  0.652135  1
  P  P326  1  0.880631  0.041560  0.652135  1
  P  P327  1  0.880631  0.541560  0.652135  1
  P  P328  1  0.509315  0.421882  0.651775  1
  P  P329  1  0.509315  0.921882  0.651775  1
  P  P330  1  1.009315  0.421882  0.651775  1
  P  P331  1  1.009315  0.921882  0.651775  1
  P  P332  1  0.249116  0.196561  0.539501  1
  P  P333  1  0.249116  0.696561  0.539501  1
  P  P334  1  0.749116  0.196561  0.539501  1
  P  P335  1  0.749116  0.696561  0.539501  1
