# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.75895353
_cell_length_b   15.55355065
_cell_length_c   41.85866475
_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   13432.4061289
_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  0.275618  0.198277  0.967021  1
  P  P2  1  0.276202  0.699952  0.966432  1
  P  P3  1  0.775858  0.200891  0.967130  1
  P  P4  1  0.776705  0.700614  0.966849  1
  P  P5  1  0.128926  0.283571  0.974827  1
  P  P6  1  0.128938  0.783636  0.975191  1
  P  P7  1  0.628262  0.284476  0.975342  1
  P  P8  1  0.628988  0.783984  0.975601  1
  P  P9  1  0.016803  0.051110  0.354691  1
  P  P10  1  0.016803  0.551110  0.354691  1
  P  P11  1  0.516803  0.051110  0.354691  1
  P  P12  1  0.516803  0.551110  0.354691  1
  P  P13  1  0.269377  0.409222  0.528175  1
  P  P14  1  0.269377  0.909222  0.528175  1
  P  P15  1  0.769377  0.409222  0.528175  1
  P  P16  1  0.769377  0.909222  0.528175  1
  P  P17  1  0.019592  0.159376  0.528691  1
  P  P18  1  0.019592  0.659376  0.528691  1
  P  P19  1  0.519592  0.159376  0.528691  1
  P  P20  1  0.519592  0.659376  0.528691  1
  P  P21  1  0.400869  0.323003  0.966611  1
  P  P22  1  0.401387  0.823620  0.967060  1
  P  P23  1  0.901538  0.323877  0.966664  1
  P  P24  1  0.901919  0.824704  0.966650  1
  P  P25  1  0.262687  0.042852  0.588876  1
  P  P26  1  0.262687  0.542852  0.588876  1
  P  P27  1  0.762687  0.042852  0.588876  1
  P  P28  1  0.762687  0.542852  0.588876  1
  P  P29  1  0.267665  0.302082  0.354139  1
  P  P30  1  0.267665  0.802082  0.354139  1
  P  P31  1  0.767665  0.302082  0.354139  1
  P  P32  1  0.767665  0.802082  0.354139  1
  P  P33  1  0.240326  0.332063  0.598186  1
  P  P34  1  0.240326  0.832063  0.598186  1
  P  P35  1  0.740326  0.332063  0.598186  1
  P  P36  1  0.740326  0.832063  0.598186  1
  P  P37  1  0.114920  0.458058  0.598292  1
  P  P38  1  0.114920  0.958058  0.598292  1
  P  P39  1  0.614920  0.458058  0.598292  1
  P  P40  1  0.614920  0.958058  0.598292  1
  P  P41  1  0.372499  0.074459  0.537104  1
  P  P42  1  0.372499  0.574459  0.537104  1
  P  P43  1  0.872499  0.074459  0.537104  1
  P  P44  1  0.872499  0.574459  0.537104  1
  P  P45  1  0.387071  0.059700  0.090133  1
  P  P46  1  0.386898  0.559666  0.089946  1
  P  P47  1  0.887311  0.059699  0.089826  1
  P  P48  1  0.887199  0.559593  0.089700  1
  P  P49  1  0.153694  0.033991  0.852726  1
  P  P50  1  0.143561  0.546008  0.854362  1
  P  P51  1  0.646036  0.043775  0.854491  1
  P  P52  1  0.645325  0.546098  0.854577  1
  P  P53  1  0.506365  0.051304  0.149493  1
  P  P54  1  0.506377  0.551109  0.149369  1
  P  P55  1  1.006842  0.050660  0.149243  1
  P  P56  1  1.006514  0.550727  0.149052  1
  P  P57  1  0.390436  0.301521  0.854155  1
  P  P58  1  0.391703  0.800567  0.854290  1
  P  P59  1  0.889596  0.303272  0.853655  1
  P  P60  1  0.892649  0.806284  0.854855  1
  P  P61  1  0.232879  0.466263  0.657340  1
  P  P62  1  0.232879  0.966263  0.657340  1
  P  P63  1  0.732879  0.466263  0.657340  1
  P  P64  1  0.732879  0.966263  0.657340  1
  P  P65  1  0.121876  0.323888  0.537227  1
  P  P66  1  0.121876  0.823888  0.537227  1
  P  P67  1  0.621876  0.323888  0.537227  1
  P  P68  1  0.621876  0.823888  0.537227  1
  P  P69  1  0.408508  0.017992  0.405748  1
  P  P70  1  0.408508  0.517992  0.405748  1
  P  P71  1  0.908508  0.017992  0.405748  1
  P  P72  1  0.908508  0.517992  0.405748  1
  P  P73  1  0.503557  0.159209  0.975337  1
  P  P74  1  0.503874  0.659388  0.975657  1
  P  P75  1  1.003770  0.158152  0.973973  1
  P  P76  1  1.003799  0.659082  0.975240  1
  P  P77  1  0.019567  0.315594  0.028111  1
  P  P78  1  0.019635  0.816652  0.028513  1
  P  P79  1  0.519214  0.316674  0.028625  1
  P  P80  1  0.519552  0.816592  0.029017  1
  P  P81  1  0.135906  0.413075  0.913354  1
  P  P82  1  0.136589  0.917311  0.914700  1
  P  P83  1  0.635840  0.416927  0.914227  1
  P  P84  1  0.635905  0.916405  0.914325  1
  P  P85  1  0.026464  0.448325  0.966372  1
  P  P86  1  0.026857  0.948981  0.966722  1
  P  P87  1  0.525400  0.449154  0.966627  1
  P  P88  1  0.527041  0.948812  0.967404  1
  P  P89  1  0.136231  0.059761  0.414057  1
  P  P90  1  0.136231  0.559761  0.414057  1
  P  P91  1  0.636231  0.059761  0.414057  1
  P  P92  1  0.636231  0.559761  0.414057  1
  P  P93  1  0.137599  0.166412  0.590500  1
  P  P94  1  0.137599  0.666412  0.590500  1
  P  P95  1  0.637599  0.166412  0.590500  1
  P  P96  1  0.637599  0.666412  0.590500  1
  P  P97  1  0.145177  0.431011  0.354302  1
  P  P98  1  0.145177  0.931011  0.354302  1
  P  P99  1  0.645177  0.431011  0.354302  1
  P  P100  1  0.645177  0.931011  0.354302  1
  P  P101  1  1.010626  0.184347  0.413841  1
  P  P102  1  1.010626  0.684347  0.413841  1
  P  P103  1  0.510626  0.184347  0.413841  1
  P  P104  1  0.510626  0.684347  0.413841  1
  P  P105  1  0.378121  0.430848  0.149684  1
  P  P106  1  0.377815  0.931046  0.149861  1
  P  P107  1  0.878300  0.430813  0.149471  1
  P  P108  1  0.878377  0.930939  0.149644  1
  P  P109  1  0.390841  0.174029  0.354005  1
  P  P110  1  0.390841  0.674029  0.354005  1
  P  P111  1  0.890841  0.174029  0.354005  1
  P  P112  1  0.890841  0.674029  0.354005  1
  P  P113  1  0.246775  0.275680  0.037042  1
  P  P114  1  0.247152  0.776205  0.036812  1
  P  P115  1  0.746635  0.276383  0.037129  1
  P  P116  1  0.747075  0.776196  0.037148  1
  P  P117  1  0.240106  0.143609  0.098270  1
  P  P118  1  0.240145  0.644139  0.097889  1
  P  P119  1  0.740193  0.143813  0.098293  1
  P  P120  1  0.740408  0.643908  0.098228  1
  P  P121  1  0.394614  0.284113  0.528760  1
  P  P122  1  0.394614  0.784113  0.528760  1
  P  P123  1  0.894614  0.284113  0.528760  1
  P  P124  1  0.894614  0.784113  0.528760  1
  P  P125  1  0.026319  0.027010  0.466776  1
  P  P126  1  0.026319  0.527010  0.466776  1
  P  P127  1  0.526319  0.027010  0.466776  1
  P  P128  1  0.526319  0.527010  0.466776  1
  P  P129  1  0.132425  0.173887  0.149920  1
  P  P130  1  0.132286  0.673882  0.149884  1
  P  P131  1  0.632568  0.174024  0.150114  1
  P  P132  1  0.632612  0.673852  0.150116  1
  P  P133  1  1.009624  0.290901  0.913398  1
  P  P134  1  1.011292  0.791496  0.913817  1
  P  P135  1  0.510081  0.291998  0.913903  1
  P  P136  1  0.511357  0.790969  0.914080  1
  P  P137  1  0.387197  0.416289  0.589983  1
  P  P138  1  0.387197  0.916289  0.589983  1
  P  P139  1  0.887197  0.416289  0.589983  1
  P  P140  1  0.887197  0.916289  0.589983  1
  P  P141  1  0.365246  0.206796  0.598834  1
  P  P142  1  0.365246  0.706796  0.598834  1
  P  P143  1  0.865246  0.206796  0.598834  1
  P  P144  1  0.865246  0.706796  0.598834  1
  P  P145  1  0.158182  0.269254  0.405207  1
  P  P146  1  0.158182  0.769254  0.405207  1
  P  P147  1  0.658182  0.269254  0.405207  1
  P  P148  1  0.658182  0.769254  0.405207  1
  P  P149  1  0.497109  0.449040  0.537265  1
  P  P150  1  0.497109  0.949040  0.537265  1
  P  P151  1  0.997109  0.449040  0.537265  1
  P  P152  1  0.997109  0.949040  0.537265  1
  P  P153  1  0.497056  0.027093  0.037561  1
  P  P154  1  0.496974  0.526981  0.037355  1
  P  P155  1  0.997039  0.027244  0.036792  1
  P  P156  1  0.997131  0.526410  0.036972  1
  P  P157  1  0.034707  0.582108  0.905456  1
  P  P158  1  0.535007  0.082659  0.905634  1
  P  P159  1  0.533642  0.582099  0.905514  1
  P  P160  1  0.276424  0.276264  0.466985  1
  P  P161  1  0.276424  0.776264  0.466985  1
  P  P162  1  0.776424  0.276264  0.466985  1
  P  P163  1  0.776424  0.776264  0.466985  1
  P  P164  1  0.253855  0.408719  0.976114  1
  P  P165  1  0.254567  0.908831  0.975513  1
  P  P166  1  0.753701  0.409705  0.975952  1
  P  P167  1  0.753860  0.909398  0.975947  1
  P  P168  1  0.290549  0.009787  0.346701  1
  P  P169  1  0.290549  0.509787  0.346701  1
  P  P170  1  0.790549  0.009787  0.346701  1
  P  P171  1  0.790549  0.509787  0.346701  1
  P  P172  1  0.034275  0.393851  0.405433  1
  P  P173  1  0.034275  0.893851  0.405433  1
  P  P174  1  0.534275  0.393851  0.405433  1
  P  P175  1  0.534275  0.893851  0.405433  1
  P  P176  1  0.269392  0.066107  0.028403  1
  P  P177  1  0.269062  0.566904  0.027898  1
  P  P178  1  0.769278  0.067165  0.028339  1
  P  P179  1  0.769254  0.567165  0.028050  1
  P  P180  1  0.364885  0.269220  0.098860  1
  P  P181  1  0.365283  0.769086  0.098886  1
  P  P182  1  0.865035  0.269096  0.098655  1
  P  P183  1  0.865413  0.769008  0.098778  1
  P  P184  1  0.151304  0.073347  0.967416  1
  P  P185  1  0.150827  0.573653  0.966527  1
  P  P186  1  0.651011  0.074884  0.967189  1
  P  P187  1  0.650639  0.574903  0.966948  1
  P  P188  1  0.128814  0.191937  0.475281  1
  P  P189  1  0.128814  0.691937  0.475281  1
  P  P190  1  0.628814  0.191937  0.475281  1
  P  P191  1  0.628814  0.691937  0.475281  1
  P  P192  1  0.255077  0.302843  0.149707  1
  P  P193  1  0.255881  0.801023  0.149990  1
  P  P194  1  0.755642  0.302292  0.149785  1
  P  P195  1  0.756064  0.801708  0.149979  1
  P  P196  1  0.394371  0.191955  0.028880  1
  P  P197  1  0.394337  0.691663  0.028723  1
  P  P198  1  0.894773  0.192123  0.028564  1
  P  P199  1  0.894698  0.692006  0.028562  1
  P  P200  1  0.262082  0.042799  0.914933  1
  P  P201  1  0.260098  0.540728  0.915284  1
  P  P202  1  0.760247  0.043846  0.915348  1
  P  P203  1  0.760717  0.543670  0.915252  1
  P  P204  1  0.260741  0.433198  0.415164  1
  P  P205  1  0.260741  0.933198  0.415164  1
  P  P206  1  0.760741  0.433198  0.415164  1
  P  P207  1  0.760741  0.933198  0.415164  1
  P  P208  1  0.015844  0.425060  0.854519  1
  P  P209  1  0.017124  0.935222  0.857712  1
  P  P210  1  0.516831  0.424964  0.854928  1
  P  P211  1  0.515463  0.926395  0.854773  1
  P  P212  1  0.255763  0.173968  0.649902  1
  P  P213  1  0.255763  0.673968  0.649902  1
  P  P214  1  0.755763  0.173968  0.649902  1
  P  P215  1  0.755763  0.673968  0.649902  1
  P  P216  1  0.503836  0.316674  0.475350  1
  P  P217  1  0.503836  0.816674  0.475350  1
  P  P218  1  1.003836  0.316674  0.475350  1
  P  P219  1  1.003836  0.816674  0.475350  1
  P  P220  1  0.284057  0.457361  0.846831  1
  P  P221  1  0.304347  0.976882  0.846582  1
  P  P222  1  0.790756  0.468369  0.846627  1
  P  P223  1  0.795284  0.972343  0.847309  1
  P  P224  1  0.385864  0.165070  0.912954  1
  P  P225  1  0.385740  0.666733  0.914140  1
  P  P226  1  0.883110  0.168682  0.913318  1
  P  P227  1  0.886036  0.667029  0.913476  1
  P  P228  1  0.262411  0.433246  0.088656  1
  P  P229  1  0.262640  0.932611  0.088991  1
  P  P230  1  0.762505  0.433382  0.088746  1
  P  P231  1  0.762822  0.933074  0.088979  1
  P  P232  1  0.153502  0.198151  0.904903  1
  P  P233  1  0.159170  0.707546  0.905026  1
  P  P234  1  0.657911  0.207565  0.905286  1
  P  P235  1  0.658733  0.707537  0.905360  1
  P  P236  1  0.512607  0.184515  0.090339  1
  P  P237  1  0.512667  0.684237  0.090306  1
  P  P238  1  0.012694  0.184123  0.090049  1
  P  P239  1  0.012827  0.684045  0.089915  1
  P  P240  1  0.114643  0.017988  0.097952  1
  P  P241  1  0.114975  0.517748  0.098149  1
  P  P242  1  0.614796  0.017993  0.098480  1
  P  P243  1  0.614866  0.517878  0.098422  1
  P  P244  1  0.512802  0.291703  0.590199  1
  P  P245  1  0.512802  0.791703  0.590199  1
  P  P246  1  0.012802  0.291703  0.590199  1
  P  P247  1  0.012802  0.791703  0.590199  1
  P  P248  1  0.132586  0.302020  0.650035  1
  P  P249  1  0.132586  0.802020  0.650035  1
  P  P250  1  0.632586  0.302020  0.650035  1
  P  P251  1  0.632586  0.802020  0.650035  1
  P  P252  1  0.379346  0.441405  0.475749  1
  P  P253  1  0.379346  0.941405  0.475749  1
  P  P254  1  0.879346  0.441405  0.475749  1
  P  P255  1  0.879346  0.941405  0.475749  1
  P  P256  1  0.372347  0.401475  0.037075  1
  P  P257  1  0.372592  0.901443  0.037284  1
  P  P258  1  0.872311  0.401398  0.036921  1
  P  P259  1  0.872433  0.901501  0.037048  1
  P  P260  1  0.231593  0.008361  0.157265  1
  P  P261  1  0.233431  0.510904  0.157189  1
  P  P262  1  0.732794  0.009354  0.157419  1
  P  P263  1  0.733171  0.509917  0.157362  1
  P  P264  1  0.264566  0.178508  0.853825  1
  P  P265  1  0.269848  0.668405  0.854607  1
  P  P266  1  0.765549  0.177126  0.853807  1
  P  P267  1  0.768539  0.675772  0.854435  1
  P  P268  1  0.280864  0.328151  0.906718  1
  P  P269  1  0.282924  0.834155  0.904339  1
  P  P270  1  0.782321  0.333969  0.905830  1
  P  P271  1  0.784004  0.834681  0.905732  1
  P  P272  1  0.379476  0.034883  0.976118  1
  P  P273  1  0.379145  0.534250  0.975731  1
  P  P274  1  0.878542  0.035511  0.976057  1
  P  P275  1  0.879279  0.534625  0.975642  1
  P  P276  1  0.150929  0.401591  0.466937  1
  P  P277  1  0.150929  0.901591  0.466937  1
  P  P278  1  0.650929  0.401591  0.466937  1
  P  P279  1  0.650929  0.901591  0.466937  1
  P  P280  1  0.406344  0.457624  0.905280  1
  P  P281  1  0.410992  0.956600  0.907178  1
  P  P282  1  0.908472  0.458438  0.905714  1
  P  P283  1  0.910619  0.962385  0.906963  1
  P  P284  1  0.489153  0.082199  0.598608  1
  P  P285  1  0.489153  0.582199  0.598608  1
  P  P286  1  0.989153  0.082199  0.598608  1
  P  P287  1  0.989153  0.582199  0.598608  1
  P  P288  1  0.121545  0.151908  0.036860  1
  P  P289  1  0.121837  0.651895  0.036999  1
  P  P290  1  0.621582  0.152226  0.037329  1
  P  P291  1  0.621871  0.652159  0.037465  1
  P  P292  1  0.137331  0.309216  0.090202  1
  P  P293  1  0.137578  0.809434  0.090440  1
  P  P294  1  0.637378  0.309682  0.090487  1
  P  P295  1  0.637646  0.809636  0.090725  1
  P  P296  1  0.385829  0.309638  0.413541  1
  P  P297  1  0.385829  0.809638  0.413541  1
  P  P298  1  0.885829  0.309638  0.413541  1
  P  P299  1  0.885829  0.809638  0.413541  1
  P  P300  1  0.144082  0.034645  0.528291  1
  P  P301  1  0.144082  0.534645  0.528291  1
  P  P302  1  0.644082  0.034645  0.528291  1
  P  P303  1  0.644082  0.534645  0.528291  1
  P  P304  1  0.401552  0.152162  0.466814  1
  P  P305  1  0.401552  0.652162  0.466814  1
  P  P306  1  0.901552  0.152162  0.466814  1
  P  P307  1  0.901552  0.652162  0.466814  1
  P  P308  1  0.488936  0.393841  0.098599  1
  P  P309  1  0.489109  0.893807  0.098911  1
  P  P310  1  0.989108  0.393483  0.098178  1
  P  P311  1  0.989127  0.893795  0.098344  1
  P  P312  1  0.254051  0.066828  0.475865  1
  P  P313  1  0.254051  0.566828  0.475865  1
  P  P314  1  0.754051  0.066828  0.475865  1
  P  P315  1  0.754051  0.566828  0.475865  1
  P  P316  1  0.143788  0.440970  0.028090  1
  P  P317  1  0.144252  0.940695  0.028229  1
  P  P318  1  0.643662  0.441685  0.028247  1
  P  P319  1  0.644273  0.941438  0.028598  1
  P  P320  1  0.283102  0.143987  0.405854  1
  P  P321  1  0.283102  0.643987  0.405854  1
  P  P322  1  0.783102  0.143987  0.405854  1
  P  P323  1  0.783102  0.643987  0.405854  1
  P  P324  1  0.378251  0.045039  0.649739  1
  P  P325  1  0.378251  0.545039  0.649739  1
  P  P326  1  0.878251  0.045039  0.649739  1
  P  P327  1  0.878251  0.545039  0.649739  1
  P  P328  1  0.506625  0.424940  0.649349  1
  P  P329  1  0.506625  0.924940  0.649349  1
  P  P330  1  1.006625  0.424940  0.649349  1
  P  P331  1  1.006625  0.924940  0.649349  1
  P  P332  1  0.247004  0.199785  0.537055  1
  P  P333  1  0.247004  0.699785  0.537055  1
  P  P334  1  0.747004  0.199785  0.537055  1
  P  P335  1  0.747004  0.699785  0.537055  1
