# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.30237468
_cell_length_b   42.39960302
_cell_length_c   53.76199269
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.24134979
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P252
_cell_volume   23344.9346731
_cell_formula_units_Z   252
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  0.417036  0.952450  0.356755  1
  P  P2  1  0.708144  0.946981  0.332128  1
  P  P3  1  1.000849  0.569867  0.339404  1
  P  P4  1  0.497660  0.394596  0.361761  1
  P  P5  1  0.023021  0.410678  0.290298  1
  P  P6  1  0.162545  0.959768  0.320752  1
  P  P7  1  0.527701  0.343687  0.315788  1
  P  P8  1  0.710235  0.584453  0.320054  1
  P  P9  1  0.548899  0.320339  0.374764  1
  P  P10  1  0.812666  0.328087  0.338442  1
  P  P11  1  0.309454  0.394665  0.311560  1
  P  P12  1  0.206279  0.825621  0.382140  1
  P  P13  1  0.641478  0.076175  0.333625  1
  P  P14  1  0.973530  0.767596  0.376486  1
  P  P15  1  0.144862  0.064443  0.404473  1
  P  P16  1  0.575117  0.270980  0.330710  1
  P  P17  1  0.783461  0.378939  0.384507  1
  P  P18  1  0.222510  0.519556  0.345951  1
  P  P19  1  0.963940  0.940152  0.367965  1
  P  P20  1  0.928453  0.900089  0.314992  1
  P  P21  1  0.686580  0.012957  0.301724  1
  P  P22  1  0.905745  0.966705  0.285523  1
  P  P23  1  0.774278  0.511886  0.332307  1
  P  P24  1  0.794019  0.353440  0.281317  1
  P  P25  1  0.741426  0.563186  0.377324  1
  P  P26  1  0.039066  0.519386  0.295417  1
  P  P27  1  0.232601  0.759901  0.411767  1
  P  P28  1  0.269954  0.576665  0.306418  1
  P  P29  1  0.474399  0.887223  0.326657  1
  P  P30  1  0.496674  0.820595  0.357294  1
  P  P31  1  0.234827  0.386275  0.398217  1
  P  P32  1  0.992891  0.461217  0.336071  1
  P  P33  1  0.717652  0.774517  0.340719  1
  P  P34  1  0.940421  0.007741  0.337567  1
  P  P35  1  0.265717  0.335986  0.352594  1
  P  P36  1  0.285899  0.311140  0.410548  1
  P  P37  1  0.753948  0.534959  0.276137  1
  P  P38  1  0.046714  0.386865  0.348039  1
  P  P39  1  0.985723  0.872811  0.398838  1
  P  P40  1  0.908552  0.004891  0.398888  1
  P  P41  1  0.467355  0.445519  0.408074  1
  P  P42  1  0.453232  0.954409  0.295990  1
  P  P43  1  0.453819  0.577162  0.355608  1
  P  P44  1  0.962594  0.512916  0.382077  1
  P  P45  1  0.439080  0.885577  0.387747  1
  P  P46  1  0.240450  0.827410  0.321134  1
  P  P47  1  0.673325  0.944984  0.393444  1
  P  P48  1  0.805683  0.461383  0.286041  1
  P  P49  1  0.464938  0.782739  0.305505  1
  P  P50  1  0.183092  0.892426  0.351190  1
  P  P51  1  0.452370  0.992991  0.409626  1
  P  P52  1  0.511844  0.504590  0.367796  1
  P  P53  1  0.889986  0.071204  0.369442  1
  P  P54  1  0.508116  0.261252  0.414695  1
  P  P55  1  0.016809  0.438104  0.394165  1
  P  P56  1  0.176184  0.065931  0.343467  1
  P  P57  1  0.198375  1.000329  0.373264  1
  P  P58  1  0.437490  0.848002  0.275169  1
  P  P59  1  0.651910  0.011477  0.363047  1
  P  P60  1  0.950095  0.832946  0.345898  1
  P  P61  1  0.753230  0.812978  0.393628  1
  P  P62  1  1.001659  0.327619  0.388412  1
  P  P63  1  0.769291  0.269706  0.378575  1
  P  P64  1  0.279719  0.445644  0.357766  1
  P  P65  1  0.221333  0.895120  0.290587  1
  P  P66  1  0.520991  0.755128  0.387732  1
  P  P67  1  0.433583  0.059852  0.379037  1
  P  P68  1  0.398642  0.019817  0.326181  1
  P  P69  1  0.218506  0.932935  0.404093  1
  P  P70  1  0.730226  0.453382  0.372321  1
  P  P71  1  0.138879  0.025369  0.292176  1
  P  P72  1  0.076294  0.336230  0.302909  1
  P  P73  1  0.730698  0.879934  0.362603  1
  P  P74  1  0.696231  0.840431  0.309319  1
  P  P75  1  0.249094  0.496960  0.403986  1
  P  P76  1  0.760621  0.402640  0.326361  1
  P  P77  1  0.254099  0.468624  0.299880  1
  P  P78  1  0.991207  0.836737  0.286238  1
  P  P79  1  0.541972  0.453863  0.321428  1
  P  P80  1  0.670443  0.907501  0.279934  1
  P  P81  1  0.484771  0.526763  0.309326  1
  P  P82  1  0.295684  0.286101  0.309156  1
  P  P83  1  0.032571  0.278471  0.343233  1
  P  P84  1  0.575643  0.403155  0.277150  1
  P  P85  1  0.439442  0.924508  0.501427  1
  P  P86  1  0.729766  0.919673  0.476401  1
  P  P87  1  0.954746  0.537948  0.485490  1
  P  P88  1  0.445834  0.361864  0.506147  1
  P  P89  1  0.971643  0.378070  0.434237  1
  P  P90  1  0.184067  0.931290  0.465545  1
  P  P91  1  0.476137  0.311457  0.460099  1
  P  P92  1  0.478401  0.554627  0.413477  1
  P  P93  1  0.497311  0.287080  0.518359  1
  P  P94  1  0.762603  0.295648  0.482343  1
  P  P95  1  0.256424  0.362414  0.456257  1
  P  P96  1  0.227740  0.796770  0.526611  1
  P  P97  1  0.687263  0.052713  0.414983  1
  P  P98  1  0.991045  0.737937  0.522005  1
  P  P99  1  0.198189  0.038528  0.486497  1
  P  P100  1  0.533749  0.238439  0.472424  1
  P  P101  1  0.730912  0.346175  0.528321  1
  P  P102  1  0.172938  0.487855  0.490044  1
  P  P103  1  0.985361  0.912621  0.512395  1
  P  P104  1  0.950180  0.870882  0.459993  1
  P  P105  1  0.707801  0.986733  0.445777  1
  P  P106  1  0.928615  0.938138  0.429495  1
  P  P107  1  0.722563  0.480662  0.476134  1
  P  P108  1  0.738804  0.319050  0.424378  1
  P  P109  1  0.687477  0.530540  0.520709  1
  P  P110  1  0.985750  0.488765  0.440011  1
  P  P111  1  0.248278  0.730790  0.557405  1
  P  P112  1  0.217913  0.546411  0.450027  1
  P  P113  1  0.496099  0.858995  0.470961  1
  P  P114  1  0.516219  0.791913  0.501180  1
  P  P115  1  0.182432  0.353436  0.542068  1
  P  P116  1  0.941376  0.429236  0.480119  1
  P  P117  1  0.737352  0.744974  0.485890  1
  P  P118  1  0.963302  0.979698  0.481767  1
  P  P119  1  0.212978  0.302841  0.496254  1
  P  P120  1  0.235056  0.278729  0.554430  1
  P  P121  1  0.700484  0.504773  0.417957  1
  P  P122  1  0.994165  0.354267  0.492268  1
  P  P123  1  1.006925  0.845365  0.542893  1
  P  P124  1  0.926955  0.978080  0.542939  1
  P  P125  1  0.415931  0.412602  0.552135  1
  P  P126  1  0.474058  0.926200  0.440402  1
  P  P127  1  0.401792  0.545064  0.499963  1
  P  P128  1  0.910611  0.480469  0.526064  1
  P  P129  1  0.461483  0.857303  0.531985  1
  P  P130  1  0.262096  0.798300  0.465271  1
  P  P131  1  0.695320  0.917697  0.537399  1
  P  P132  1  0.753109  0.430066  0.430320  1
  P  P133  1  0.486602  0.752455  0.448332  1
  P  P134  1  0.205775  0.863830  0.495986  1
  P  P135  1  0.473962  0.964759  0.553835  1
  P  P136  1  0.459403  0.472045  0.512288  1
  P  P137  1  0.944495  0.045565  0.450382  1
  P  P138  1  0.457140  0.228876  0.558911  1
  P  P139  1  0.963898  0.405433  0.538151  1
  P  P140  1  0.397596  0.057068  0.440062  1
  P  P141  1  0.218237  0.972687  0.517906  1
  P  P142  1  0.461579  0.818744  0.418553  1
  P  P143  1  0.673445  0.985203  0.507116  1
  P  P144  1  0.972238  0.803805  0.490620  1
  P  P145  1  0.771750  0.785562  0.537546  1
  P  P146  1  0.949790  0.294737  0.532376  1
  P  P147  1  0.717628  0.237092  0.522360  1
  P  P148  1  0.226623  0.413316  0.502270  1
  P  P149  1  0.240220  0.865806  0.434989  1
  P  P150  1  0.537945  0.726435  0.532326  1
  P  P151  1  0.448939  0.031047  0.524056  1
  P  P152  1  0.419322  0.991590  0.471207  1
  P  P153  1  0.240333  0.905325  0.548412  1
  P  P154  1  0.679117  0.421089  0.516131  1
  P  P155  1  0.163790  0.997941  0.434841  1
  P  P156  1  0.024929  0.303034  0.446324  1
  P  P157  1  0.751474  0.852213  0.506843  1
  P  P158  1  0.717304  0.810816  0.454482  1
  P  P159  1  0.196737  0.464452  0.548009  1
  P  P160  1  0.708918  0.370187  0.470118  1
  P  P161  1  0.204629  0.437328  0.444067  1
  P  P162  1  1.008585  0.805423  0.429449  1
  P  P163  1  0.489707  0.421639  0.466241  1
  P  P164  1  0.695208  0.878177  0.423975  1
  P  P165  1  0.438230  0.496423  0.454028  1
  P  P166  1  0.248064  0.252963  0.451678  1
  P  P167  1  0.980795  0.245555  0.486897  1
  P  P168  1  0.519609  0.370901  0.420252  1
  P  P169  1  0.461142  0.896279  0.645731  1
  P  P170  1  0.752449  0.891077  0.621198  1
  P  P171  1  0.902969  0.505032  0.629155  1
  P  P172  1  0.393569  0.329640  0.650960  1
  P  P173  1  0.918732  0.345399  0.578223  1
  P  P174  1  0.204842  0.903568  0.609785  1
  P  P175  1  0.423697  0.278913  0.604591  1
  P  P176  1  0.427424  0.522251  0.557693  1
  P  P177  1  0.450770  0.256740  0.663062  1
  P  P178  1  0.713031  0.263947  0.626437  1
  P  P179  1  0.205315  0.330121  0.600067  1
  P  P180  1  0.248961  0.770546  0.670664  1
  P  P181  1  0.702939  0.023602  0.560620  1
  P  P182  1  0.045555  0.712299  0.602945  1
  P  P183  1  0.217888  0.008986  0.631669  1
  P  P184  1  0.481722  0.206341  0.616779  1
  P  P185  1  0.681441  0.314878  0.672507  1
  P  P186  1  0.122875  0.455415  0.633945  1
  P  P187  1  1.007087  0.883413  0.657396  1
  P  P188  1  0.971601  0.843350  0.604423  1
  P  P189  1  0.729262  0.957882  0.590248  1
  P  P190  1  0.949818  0.910692  0.573549  1
  P  P191  1  0.669823  0.447517  0.619794  1
  P  P192  1  0.686446  0.286543  0.568401  1
  P  P193  1  0.639857  0.497401  0.663232  1
  P  P194  1  0.933881  0.455884  0.583976  1
  P  P195  1  0.294063  0.707327  0.638763  1
  P  P196  1  0.166249  0.513797  0.593813  1
  P  P197  1  0.518504  0.831052  0.615633  1
  P  P198  1  0.536899  0.763686  0.646207  1
  P  P199  1  0.129858  0.322120  0.686346  1
  P  P200  1  0.888827  0.396637  0.624348  1
  P  P201  1  0.790679  0.719060  0.567915  1
  P  P202  1  0.985445  0.950556  0.626489  1
  P  P203  1  0.161263  0.271616  0.640081  1
  P  P204  1  0.181592  0.248544  0.696250  1
  P  P205  1  0.649642  0.472363  0.561839  1
  P  P206  1  0.942650  0.322286  0.636316  1
  P  P207  1  0.029795  0.816797  0.686865  1
  P  P208  1  0.944333  0.946766  0.686149  1
  P  P209  1  0.359897  0.380348  0.695238  1
  P  P210  1  0.496460  0.897926  0.584640  1
  P  P211  1  0.360424  0.512523  0.641678  1
  P  P212  1  0.859246  0.447272  0.669478  1
  P  P213  1  0.482309  0.829094  0.676397  1
  P  P214  1  0.283631  0.772026  0.609341  1
  P  P215  1  0.714208  0.888382  0.681800  1
  P  P216  1  0.700714  0.397228  0.574170  1
  P  P217  1  0.501958  0.723651  0.593351  1
  P  P218  1  0.227397  0.836522  0.640260  1
  P  P219  1  0.498051  0.935501  0.697219  1
  P  P220  1  0.407840  0.439816  0.656599  1
  P  P221  1  0.962011  0.015907  0.595901  1
  P  P222  1  0.225306  0.199050  0.652333  1
  P  P223  1  0.912519  0.372825  0.682089  1
  P  P224  1  0.414550  0.028375  0.584655  1
  P  P225  1  0.239309  0.943072  0.663069  1
  P  P226  1  0.483171  0.790511  0.562761  1
  P  P227  1  0.695091  0.956092  0.651254  1
  P  P228  1  0.995120  0.775762  0.634821  1
  P  P229  1  0.796662  0.758134  0.680211  1
  P  P230  1  0.896474  0.264117  0.676971  1
  P  P231  1  0.665586  0.206838  0.665969  1
  P  P232  1  0.174919  0.380863  0.646027  1
  P  P233  1  0.262216  0.838519  0.578944  1
  P  P234  1  0.759357  0.717572  0.628920  1
  P  P235  1  0.470603  1.000764  0.666883  1
  P  P236  1  0.438867  0.962908  0.615093  1
  P  P237  1  0.265098  0.876002  0.692454  1
  P  P238  1  0.626087  0.388838  0.660828  1
  P  P239  1  0.182311  0.970525  0.578760  1
  P  P240  1  0.972946  0.270587  0.590311  1
  P  P241  1  0.772995  0.823735  0.651636  1
  P  P242  1  0.737166  0.783174  0.599123  1
  P  P243  1  0.141522  0.430063  0.691070  1
  P  P244  1  0.655821  0.337859  0.614621  1
  P  P245  1  0.152079  0.404564  0.587881  1
  P  P246  1  0.026988  0.778612  0.573500  1
  P  P247  1  0.437881  0.388907  0.610626  1
  P  P248  1  0.717035  0.850567  0.568295  1
  P  P249  1  0.386642  0.463164  0.597624  1
  P  P250  1  0.194115  0.220316  0.595063  1
  P  P251  1  0.934691  0.213636  0.632984  1
  P  P252  1  0.468186  0.337984  0.564313  1
