# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.54358439
_cell_length_b   46.24497466
_cell_length_c   49.10552977
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.27983085
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P432
_cell_volume   44308.5170908
_cell_formula_units_Z   432
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  0.524613  0.658271  0.440683  1
  P  P2  1  0.191279  0.324938  0.440683  1
  P  P3  1  0.126057  0.691812  0.366408  1
  P  P4  1  0.806507  0.687655  0.427064  1
  P  P5  1  0.857946  -0.008395  0.440683  1
  P  P6  1  0.792724  0.358479  0.366408  1
  P  P7  1  0.473174  0.354321  0.427064  1
  P  P8  1  0.459391  0.025145  0.366408  1
  P  P9  1  0.139841  0.020988  0.427064  1
  P  P10  1  0.578984  0.589914  0.430897  1
  P  P11  1  0.245651  0.256581  0.430897  1
  P  P12  1  0.237382  0.649302  0.405719  1
  P  P13  1  0.886876  0.640667  0.459282  1
  P  P14  1  0.912317  0.923248  0.430897  1
  P  P15  1  0.904049  0.315969  0.405719  1
  P  P16  1  0.553543  0.307333  0.459282  1
  P  P17  1  0.570715  -0.017365  0.405719  1
  P  P18  1  0.220209  -0.026000  0.459282  1
  P  P19  1  0.264790  0.726744  0.391081  1
  P  P20  1  0.931457  0.393411  0.391081  1
  P  P21  1  0.984998  0.697037  0.410603  1
  P  P22  1  0.657745  0.704384  0.451938  1
  P  P23  1  0.598124  0.060077  0.391081  1
  P  P24  1  0.651665  0.363704  0.410603  1
  P  P25  1  0.324411  0.371050  0.451938  1
  P  P26  1  0.318331  0.030370  0.410603  1
  P  P27  1  0.991078  0.037717  0.451938  1
  P  P28  1  0.742416  0.618881  0.433036  1
  P  P29  1  0.409083  0.285547  0.433036  1
  P  P30  1  0.295370  0.595727  0.376713  1
  P  P31  1  1.066331  0.640170  0.404810  1
  P  P32  1  1.075749  0.952214  0.433036  1
  P  P33  1  0.962037  0.262394  0.376713  1
  P  P34  1  0.732998  0.306836  0.404810  1
  P  P35  1  0.628703  0.929060  0.376713  1
  P  P36  1  0.399665  -0.026497  0.404810  1
  P  P37  1  0.568015  0.733074  0.406790  1
  P  P38  1  0.234681  0.399740  0.406790  1
  P  P39  1  0.306263  0.699444  0.449278  1
  P  P40  1  0.853638  0.712472  0.370152  1
  P  P41  1  0.901348  0.066407  0.406790  1
  P  P42  1  0.972930  0.366111  0.449278  1
  P  P43  1  0.520304  0.379139  0.370152  1
  P  P44  1  0.639596  0.032777  0.449278  1
  P  P45  1  0.186971  0.045805  0.370152  1
  P  P46  1  0.415376  0.566489  0.409608  1
  P  P47  1  0.082043  0.233156  0.409608  1
  P  P48  1  0.120964  0.588899  0.473159  1
  P  P49  1  0.891624  0.638148  0.394421  1
  P  P50  1  0.748710  0.899823  0.409608  1
  P  P51  1  0.787631  0.255566  0.473159  1
  P  P52  1  0.558291  0.304815  0.394421  1
  P  P53  1  0.454298  0.922233  0.473159  1
  P  P54  1  0.224958  0.971481  0.394421  1
  P  P55  1  0.474845  0.915779  0.403172  1
  P  P56  1  0.141511  0.582446  0.403172  1
  P  P57  1  0.182433  0.903088  0.407416  1
  P  P58  1  0.818775  0.869662  0.457546  1
  P  P59  1  0.808178  0.249112  0.403172  1
  P  P60  1  0.849100  0.569755  0.407416  1
  P  P61  1  0.485442  0.536329  0.457546  1
  P  P62  1  0.515766  0.236421  0.407416  1
  P  P63  1  0.152108  0.202996  0.457546  1
  P  P64  1  0.455401  0.765871  0.376688  1
  P  P65  1  0.122068  0.432538  0.376688  1
  P  P66  1  0.107657  0.753479  0.397228  1
  P  P67  1  0.917401  0.756917  0.419655  1
  P  P68  1  0.788734  0.099205  0.376688  1
  P  P69  1  0.774324  0.420146  0.397228  1
  P  P70  1  0.584068  0.423584  0.419655  1
  P  P71  1  0.440990  0.086813  0.397228  1
  P  P72  1  0.250735  0.090250  0.419655  1
  P  P73  1  0.480534  0.861165  0.439067  1
  P  P74  1  0.147200  0.527832  0.439067  1
  P  P75  1  0.187720  0.847337  0.453306  1
  P  P76  1  0.795120  0.807188  0.428964  1
  P  P77  1  0.813867  0.194498  0.439067  1
  P  P78  1  0.854387  0.514004  0.453306  1
  P  P79  1  0.461787  0.473855  0.428964  1
  P  P80  1  0.521054  0.180671  0.453306  1
  P  P81  1  0.128453  0.140521  0.428964  1
  P  P82  1  0.516260  0.795129  0.434201  1
  P  P83  1  0.182926  0.461795  0.434201  1
  P  P84  1  0.219289  0.761306  0.451244  1
  P  P85  1  0.847789  0.786951  0.369769  1
  P  P86  1  0.849593  0.128462  0.434201  1
  P  P87  1  0.885956  0.427973  0.451244  1
  P  P88  1  0.514456  0.453618  0.369769  1
  P  P89  1  0.552623  0.094640  0.451244  1
  P  P90  1  0.181123  0.120285  0.369769  1
  P  P91  1  0.324261  0.863993  0.408244  1
  P  P92  1  0.990928  0.530660  0.408244  1
  P  P93  1  1.042248  0.881130  0.437786  1
  P  P94  1  0.598419  0.864277  0.393417  1
  P  P95  1  0.657595  0.197327  0.408244  1
  P  P96  1  0.708915  0.547796  0.437786  1
  P  P97  1  0.265086  0.530943  0.393417  1
  P  P98  1  0.375581  0.214463  0.437786  1
  P  P99  1  0.931753  0.197610  0.393417  1
  P  P100  1  0.640645  0.797321  0.392291  1
  P  P101  1  0.307312  0.463988  0.392291  1
  P  P102  1  0.373065  0.762670  0.431910  1
  P  P103  1  1.059039  0.744726  0.458391  1
  P  P104  1  0.973979  0.130655  0.392291  1
  P  P105  1  1.039732  0.429337  0.431910  1
  P  P106  1  0.725706  0.411393  0.458391  1
  P  P107  1  0.706398  0.096004  0.431910  1
  P  P108  1  0.392372  0.078060  0.458391  1
  P  P109  1  0.422485  0.510154  0.374657  1
  P  P110  1  0.089152  0.176821  0.374657  1
  P  P111  1  0.277126  0.581597  0.444534  1
  P  P112  1  0.984177  0.591888  0.438824  1
  P  P113  1  0.755818  0.843487  0.374657  1
  P  P114  1  0.943793  0.248264  0.444534  1
  P  P115  1  0.650843  0.258555  0.438824  1
  P  P116  1  0.610460  0.914931  0.444534  1
  P  P117  1  0.317510  0.925222  0.438824  1
  P  P118  1  0.415563  0.700042  0.400445  1
  P  P119  1  0.082230  0.366709  0.400445  1
  P  P120  1  0.148828  0.697411  0.430464  1
  P  P121  1  0.922915  0.708910  0.470782  1
  P  P122  1  0.748896  0.033376  0.400445  1
  P  P123  1  0.815495  0.364078  0.430464  1
  P  P124  1  0.589582  0.375576  0.470782  1
  P  P125  1  0.482162  0.030745  0.430464  1
  P  P126  1  0.256249  0.042243  0.470782  1
  P  P127  1  0.475591  0.718511  0.459296  1
  P  P128  1  0.142257  0.385178  0.459296  1
  P  P129  1  0.998945  0.733829  0.353498  1
  P  P130  1  0.738221  0.744968  0.403166  1
  P  P131  1  0.808924  0.051844  0.459296  1
  P  P132  1  0.665612  0.400496  0.353498  1
  P  P133  1  0.404887  0.411634  0.403166  1
  P  P134  1  0.332279  0.067162  0.353498  1
  P  P135  1  1.071554  0.078301  0.403166  1
  P  P136  1  0.656145  0.844878  0.450438  1
  P  P137  1  0.322812  0.511545  0.450438  1
  P  P138  1  0.321350  0.920812  0.372067  1
  P  P139  1  0.902546  0.855963  0.404180  1
  P  P140  1  0.989479  0.178212  0.450438  1
  P  P141  1  0.988017  0.587479  0.372067  1
  P  P142  1  0.569213  0.522629  0.404180  1
  P  P143  1  0.654684  0.254146  0.372067  1
  P  P144  1  0.235879  0.189296  0.404180  1
  P  P145  1  0.677751  0.640069  0.534536  1
  P  P146  1  0.344418  0.306736  0.534536  1
  P  P147  1  0.215880  0.644364  0.472267  1
  P  P148  1  0.930081  0.665857  0.517338  1
  P  P149  1  1.011085  -0.026597  0.534536  1
  P  P150  1  0.882547  0.311031  0.472267  1
  P  P151  1  0.596748  0.332523  0.517338  1
  P  P152  1  0.549214  -0.022303  0.472267  1
  P  P153  1  0.263415  -0.000810  0.517338  1
  P  P154  1  0.672018  0.576964  0.556204  1
  P  P155  1  0.338684  0.243631  0.556204  1
  P  P156  1  0.313971  0.603518  0.509125  1
  P  P157  1  0.983496  0.599400  0.508434  1
  P  P158  1  1.005351  0.910298  0.556204  1
  P  P159  1  0.980638  0.270185  0.509125  1
  P  P160  1  0.650162  0.266067  0.508434  1
  P  P161  1  0.647305  0.936851  0.509125  1
  P  P162  1  0.316829  0.932734  0.508434  1
  P  P163  1  0.398204  0.661614  0.486673  1
  P  P164  1  1.064871  0.328280  0.486673  1
  P  P165  1  0.093962  0.651676  0.525760  1
  P  P166  1  0.818684  0.667350  0.562171  1
  P  P167  1  0.731538  -0.005053  0.486673  1
  P  P168  1  0.760629  0.318342  0.525760  1
  P  P169  1  0.485351  0.334017  0.562171  1
  P  P170  1  0.427296  -0.014991  0.525760  1
  P  P171  1  0.152017  0.000684  0.562171  1
  P  P172  1  0.825550  0.604109  0.531596  1
  P  P173  1  0.492217  0.270775  0.531596  1
  P  P174  1  0.442869  0.599930  0.467687  1
  P  P175  1  0.172075  0.597615  0.537038  1
  P  P176  1  0.158884  0.937442  0.531596  1
  P  P177  1  0.109535  0.266596  0.467687  1
  P  P178  1  0.838741  0.264282  0.537038  1
  P  P179  1  0.776202  0.933263  0.467687  1
  P  P180  1  0.505408  0.930948  0.537038  1
  P  P181  1  0.770512  0.681387  0.495256  1
  P  P182  1  0.437179  0.348054  0.495256  1
  P  P183  1  0.438543  0.706445  0.533108  1
  P  P184  1  1.044742  0.660267  0.467169  1
  P  P185  1  0.103846  0.014721  0.495256  1
  P  P186  1  0.105210  0.373111  0.533108  1
  P  P187  1  0.711408  0.326933  0.467169  1
  P  P188  1  0.771877  0.039778  0.533108  1
  P  P189  1  0.378075  -0.006400  0.467169  1
  P  P190  1  0.547650  0.548991  0.519189  1
  P  P191  1  0.214317  0.215658  0.519189  1
  P  P192  1  0.278516  0.547661  0.554859  1
  P  P193  1  0.837012  0.577059  0.472814  1
  P  P194  1  0.880984  0.882325  0.519189  1
  P  P195  1  0.945182  0.214328  0.554859  1
  P  P196  1  0.503679  0.243726  0.472814  1
  P  P197  1  0.611849  0.880994  0.554859  1
  P  P198  1  0.170345  0.910392  0.472814  1
  P  P199  1  0.549916  0.873215  0.496872  1
  P  P200  1  0.216583  0.539881  0.496872  1
  P  P201  1  0.232497  0.870949  0.520752  1
  P  P202  1  0.948466  0.824991  0.539133  1
  P  P203  1  0.883250  0.206548  0.496872  1
  P  P204  1  0.899163  0.537615  0.520752  1
  P  P205  1  0.615133  0.491657  0.539133  1
  P  P206  1  0.565830  0.204282  0.520752  1
  P  P207  1  0.281800  0.158324  0.539133  1
  P  P208  1  0.653678  0.775551  0.455070  1
  P  P209  1  0.320345  0.442218  0.455070  1
  P  P210  1  0.344052  0.745466  0.496404  1
  P  P211  1  1.037962  0.723310  0.521091  1
  P  P212  1  0.987012  0.108884  0.455070  1
  P  P213  1  1.010719  0.412133  0.496404  1
  P  P214  1  0.704629  0.389976  0.521091  1
  P  P215  1  0.677386  0.078800  0.496404  1
  P  P216  1  0.371295  0.056643  0.521091  1
  P  P217  1  0.633629  0.814873  0.518648  1
  P  P218  1  0.300296  0.481540  0.518648  1
  P  P219  1  0.303154  0.810755  0.517956  1
  P  P220  1  0.945107  0.837309  0.470878  1
  P  P221  1  0.966963  0.148206  0.518648  1
  P  P222  1  0.969820  0.477422  0.517956  1
  P  P223  1  0.611774  0.503976  0.470878  1
  P  P224  1  0.636487  0.144089  0.517956  1
  P  P225  1  0.278441  0.170642  0.470878  1
  P  P226  1  0.687044  0.748417  0.509744  1
  P  P227  1  0.353710  0.415083  0.509744  1
  P  P228  1  0.401245  0.769909  0.554815  1
  P  P229  1  0.939374  0.774204  0.492546  1
  P  P230  1  1.020377  0.081750  0.509744  1
  P  P231  1  1.067911  0.436576  0.554815  1
  P  P232  1  0.606040  0.440870  0.492546  1
  P  P233  1  0.734578  0.103243  0.554815  1
  P  P234  1  0.272707  0.107537  0.492546  1
  P  P235  1  0.445050  0.816658  0.490044  1
  P  P236  1  0.111717  0.483325  0.490044  1
  P  P237  1  0.174256  0.814344  0.559395  1
  P  P238  1  0.791575  0.810165  0.495486  1
  P  P239  1  0.778384  0.149992  0.490044  1
  P  P240  1  0.840923  0.481010  0.559395  1
  P  P241  1  0.458242  0.476831  0.495486  1
  P  P242  1  0.507590  0.147677  0.559395  1
  P  P243  1  0.124908  0.143498  0.495486  1
  P  P244  1  0.798441  0.746923  0.464911  1
  P  P245  1  0.465108  0.413590  0.464911  1
  P  P246  1  0.523163  0.762598  0.501322  1
  P  P247  1  0.218921  0.752659  0.540409  1
  P  P248  1  0.131774  0.080256  0.464911  1
  P  P249  1  0.189829  0.429264  0.501322  1
  P  P250  1  0.885587  0.419326  0.540409  1
  P  P251  1  0.856496  0.095931  0.501322  1
  P  P252  1  0.552254  0.085993  0.540409  1
  P  P253  1  0.668659  0.589282  0.487949  1
  P  P254  1  0.335325  0.255949  0.487949  1
  P  P255  1  0.384628  0.543325  0.506330  1
  P  P256  1  1.067209  0.541059  0.530210  1
  P  P257  1  1.001992  0.922616  0.487949  1
  P  P258  1  1.051295  0.209991  0.506330  1
  P  P259  1  0.733876  0.207725  0.530210  1
  P  P260  1  0.717962  0.876658  0.506330  1
  P  P261  1  0.400542  0.874392  0.530210  1
  P  P262  1  0.579163  0.690963  0.505991  1
  P  P263  1  0.245830  0.357630  0.505991  1
  P  P264  1  0.273073  0.668807  0.530678  1
  P  P265  1  0.963447  0.638722  0.572012  1
  P  P266  1  0.912496  0.024297  0.505991  1
  P  P267  1  0.939739  0.335474  0.530678  1
  P  P268  1  0.630113  0.305389  0.572012  1
  P  P269  1  0.606406  0.002140  0.530678  1
  P  P270  1  0.296780  0.972055  0.572012  1
  P  P271  1  0.572384  0.754007  0.559913  1
  P  P272  1  0.239050  0.420673  0.559913  1
  P  P273  1  0.178582  0.707829  0.493973  1
  P  P274  1  0.846613  0.732886  0.531826  1
  P  P275  1  0.905717  0.087340  0.559913  1
  P  P276  1  0.845248  0.374495  0.493973  1
  P  P277  1  0.513279  0.399553  0.531826  1
  P  P278  1  0.511915  0.041162  0.493973  1
  P  P279  1  0.179946  0.066219  0.531826  1
  P  P280  1  0.780113  0.837214  0.554268  1
  P  P281  1  0.446780  0.503881  0.554268  1
  P  P282  1  0.338609  0.866612  0.472223  1
  P  P283  1  1.069475  0.865282  0.507893  1
  P  P284  1  0.113446  0.170548  0.554268  1
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  P  P432  1  0.535082  0.181117  0.617474  1
