# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   37.60280257
_cell_length_b   102.90550536
_cell_length_c   48.26471357
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.73737046
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P864
_cell_volume   186123.988579
_cell_formula_units_Z   864
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  0.031807  0.008456  0.334809  1
  P  P2  1  0.806257  0.831751  0.406237  1
  P  P3  1  0.365140  0.341789  0.334809  1
  P  P4  1  0.139590  0.165084  0.406237  1
  P  P5  1  0.365140  0.841789  0.334809  1
  P  P6  1  0.698473  0.675122  0.334809  1
  P  P7  1  0.472923  0.498417  0.406237  1
  P  P8  1  0.698473  0.175122  0.334809  1
  P  P9  1  0.472923  0.998417  0.406237  1
  P  P10  1  0.031807  0.508456  0.334809  1
  P  P11  1  0.806257  0.331751  0.406237  1
  P  P12  1  0.139590  0.665084  0.406237  1
  P  P13  1  0.053134  0.063177  0.381211  1
  P  P14  1  0.945712  0.906944  0.309918  1
  P  P15  1  0.386467  0.396510  0.381211  1
  P  P16  1  0.279045  0.240277  0.309918  1
  P  P17  1  0.386467  0.896510  0.381211  1
  P  P18  1  0.719800  0.729844  0.381211  1
  P  P19  1  0.612378  0.573610  0.309918  1
  P  P20  1  0.719800  0.229844  0.381211  1
  P  P21  1  0.612378  0.073610  0.309918  1
  P  P22  1  0.053134  0.563177  0.381211  1
  P  P23  1  0.945712  0.406944  0.309918  1
  P  P24  1  0.279045  0.740277  0.309918  1
  P  P25  1  0.974622  0.985211  0.347231  1
  P  P26  1  0.749072  0.808506  0.418660  1
  P  P27  1  0.307956  0.318544  0.347231  1
  P  P28  1  0.082406  0.141839  0.418660  1
  P  P29  1  0.307956  0.818544  0.347231  1
  P  P30  1  0.641289  0.651877  0.347231  1
  P  P31  1  0.415739  0.475172  0.418660  1
  P  P32  1  0.641289  0.151877  0.347231  1
  P  P33  1  0.415739  0.975172  0.418660  1
  P  P34  1  0.974622  0.485211  0.347231  1
  P  P35  1  0.749072  0.308506  0.418660  1
  P  P36  1  0.082406  0.641839  0.418660  1
  P  P37  1  0.110318  0.086422  0.368789  1
  P  P38  1  1.001538  0.929658  0.297753  1
  P  P39  1  0.443651  0.419755  0.368789  1
  P  P40  1  0.334871  0.262991  0.297753  1
  P  P41  1  0.443651  0.919755  0.368789  1
  P  P42  1  0.776985  0.753089  0.368789  1
  P  P43  1  0.668204  0.596324  0.297753  1
  P  P44  1  0.776985  0.253089  0.368789  1
  P  P45  1  0.668204  0.096324  0.297753  1
  P  P46  1  0.110318  0.586422  0.368789  1
  P  P47  1  1.001538  0.429658  0.297753  1
  P  P48  1  0.334871  0.762991  0.297753  1
  P  P49  1  0.054492  0.983299  0.364555  1
  P  P50  1  0.946527  0.826705  0.293079  1
  P  P51  1  0.387826  0.316632  0.364555  1
  P  P52  1  0.279860  0.160038  0.293079  1
  P  P53  1  0.387826  0.816632  0.364555  1
  P  P54  1  0.721159  0.649965  0.364555  1
  P  P55  1  0.613193  0.493371  0.293079  1
  P  P56  1  0.721159  0.149965  0.364555  1
  P  P57  1  0.613193  0.993371  0.293079  1
  P  P58  1  0.054492  0.483299  0.364555  1
  P  P59  1  0.946527  0.326705  0.293079  1
  P  P60  1  0.279860  0.660038  0.293079  1
  P  P61  1  0.030448  0.088334  0.351465  1
  P  P62  1  0.804898  0.911629  0.422894  1
  P  P63  1  0.363781  0.421667  0.351465  1
  P  P64  1  0.138231  0.244962  0.422894  1
  P  P65  1  0.363781  0.921667  0.351465  1
  P  P66  1  0.697114  0.755000  0.351465  1
  P  P67  1  0.471565  0.578295  0.422894  1
  P  P68  1  0.697114  0.255000  0.351465  1
  P  P69  1  0.471565  0.078295  0.422894  1
  P  P70  1  0.030448  0.588334  0.351465  1
  P  P71  1  0.804898  0.411629  0.422894  1
  P  P72  1  0.138231  0.744962  0.422894  1
  P  P73  1  0.033009  0.982239  0.301692  1
  P  P74  1  0.807459  0.805534  0.373121  1
  P  P75  1  0.366342  0.315572  0.301692  1
  P  P76  1  0.140792  0.138867  0.373121  1
  P  P77  1  0.366342  0.815572  0.301692  1
  P  P78  1  0.699675  0.648905  0.301692  1
  P  P79  1  0.474125  0.472200  0.373121  1
  P  P80  1  0.699675  0.148905  0.301692  1
  P  P81  1  0.474125  0.972200  0.373121  1
  P  P82  1  0.033009  0.482239  0.301692  1
  P  P83  1  0.807459  0.305534  0.373121  1
  P  P84  1  0.140792  0.638867  0.373121  1
  P  P85  1  0.051932  0.089394  0.414328  1
  P  P86  1  0.944601  0.932540  0.342324  1
  P  P87  1  0.385265  0.422727  0.414328  1
  P  P88  1  0.277934  0.265874  0.342324  1
  P  P89  1  0.385265  0.922727  0.414328  1
  P  P90  1  0.718598  0.756060  0.414328  1
  P  P91  1  0.611268  0.599207  0.342324  1
  P  P92  1  0.718598  0.256060  0.414328  1
  P  P93  1  0.611268  0.099207  0.342324  1
  P  P94  1  0.051932  0.589394  0.414328  1
  P  P95  1  0.944601  0.432540  0.342324  1
  P  P96  1  0.277934  0.765874  0.342324  1
  P  P97  1  0.246693  0.031111  0.323446  1
  P  P98  1  0.021143  0.854406  0.394875  1
  P  P99  1  0.580027  0.364444  0.323446  1
  P  P100  1  0.354477  0.187739  0.394875  1
  P  P101  1  0.580027  0.864444  0.323446  1
  P  P102  1  0.913360  0.697777  0.323446  1
  P  P103  1  0.687810  0.521072  0.394875  1
  P  P104  1  0.913360  0.197777  0.323446  1
  P  P105  1  0.687810  0.021072  0.394875  1
  P  P106  1  0.246693  0.531111  0.323446  1
  P  P107  1  0.021143  0.354406  0.394875  1
  P  P108  1  0.354477  0.687739  0.394875  1
  P  P109  1  0.838247  0.040522  0.392574  1
  P  P110  1  0.731568  0.883995  0.321113  1
  P  P111  1  0.171580  0.373855  0.392574  1
  P  P112  1  0.064901  0.217328  0.321113  1
  P  P113  1  0.171580  0.873855  0.392574  1
  P  P114  1  0.504914  0.707188  0.392574  1
  P  P115  1  0.398235  0.550661  0.321113  1
  P  P116  1  0.504914  0.207188  0.392574  1
  P  P117  1  0.398235  0.050661  0.321113  1
  P  P118  1  0.838247  0.540522  0.392574  1
  P  P119  1  0.731568  0.383995  0.321113  1
  P  P120  1  0.064901  0.717328  0.321113  1
  P  P121  1  0.167795  0.036857  0.310116  1
  P  P122  1  0.942245  0.860152  0.381545  1
  P  P123  1  0.501128  0.370191  0.310116  1
  P  P124  1  0.275578  0.193486  0.381545  1
  P  P125  1  0.501128  0.870191  0.310116  1
  P  P126  1  0.834461  0.703524  0.310116  1
  P  P127  1  0.608911  0.526819  0.381545  1
  P  P128  1  0.834461  0.203524  0.310116  1
  P  P129  1  0.608911  0.026819  0.381545  1
  P  P130  1  0.167795  0.536857  0.310116  1
  P  P131  1  0.942245  0.360152  0.381545  1
  P  P132  1  0.275578  0.693486  0.381545  1
  P  P133  1  0.917146  0.034775  0.405904  1
  P  P134  1  0.808636  0.878390  0.334175  1
  P  P135  1  0.250479  0.368108  0.405904  1
  P  P136  1  0.141969  0.211723  0.334175  1
  P  P137  1  0.250479  0.868108  0.405904  1
  P  P138  1  0.583812  0.701442  0.405904  1
  P  P139  1  0.475302  0.545057  0.334175  1
  P  P140  1  0.583812  0.201442  0.405904  1
  P  P141  1  0.475302  0.045057  0.334175  1
  P  P142  1  0.917146  0.534775  0.405904  1
  P  P143  1  0.808636  0.378390  0.334175  1
  P  P144  1  0.141969  0.711723  0.334175  1
  P  P145  1  0.183482  0.010429  0.338266  1
  P  P146  1  0.957932  0.833724  0.409694  1
  P  P147  1  0.516815  0.343762  0.338266  1
  P  P148  1  0.291265  0.167057  0.409694  1
  P  P149  1  0.516815  0.843762  0.338266  1
  P  P150  1  0.850148  0.677095  0.338266  1
  P  P151  1  0.624599  0.500390  0.409694  1
  P  P152  1  0.850148  0.177095  0.338266  1
  P  P153  1  0.624599  1.000390  0.409694  1
  P  P154  1  0.183482  0.510429  0.338266  1
  P  P155  1  0.957932  0.333724  0.409694  1
  P  P156  1  0.291265  0.667057  0.409694  1
  P  P157  1  0.901458  0.061204  0.377754  1
  P  P158  1  0.793320  0.904189  0.306596  1
  P  P159  1  0.234792  0.394537  0.377754  1
  P  P160  1  0.126654  0.237523  0.306596  1
  P  P161  1  0.234792  0.894537  0.377754  1
  P  P162  1  0.568125  0.727871  0.377754  1
  P  P163  1  0.459987  0.570856  0.306596  1
  P  P164  1  0.568125  0.227871  0.377754  1
  P  P165  1  0.459987  0.070856  0.306596  1
  P  P166  1  0.901458  0.561204  0.377754  1
  P  P167  1  0.793320  0.404189  0.306596  1
  P  P168  1  0.126654  0.737523  0.306596  1
  P  P169  1  0.194156  0.036596  0.371815  1
  P  P170  1  0.086396  0.879926  0.300324  1
  P  P171  1  0.527490  0.369929  0.371815  1
  P  P172  1  0.419729  0.213259  0.300324  1
  P  P173  1  0.527490  0.869929  0.371815  1
  P  P174  1  0.860823  0.703262  0.371815  1
  P  P175  1  0.753063  0.546592  0.300324  1
  P  P176  1  0.860823  0.203262  0.371815  1
  P  P177  1  0.753063  0.046592  0.300324  1
  P  P178  1  0.194156  0.536596  0.371815  1
  P  P179  1  0.086396  0.379926  0.300324  1
  P  P180  1  0.419729  0.713259  0.300324  1
  P  P181  1  0.890784  0.035037  0.344205  1
  P  P182  1  0.665234  0.858332  0.415634  1
  P  P183  1  0.224117  0.368370  0.344205  1
  P  P184  1  0.998567  0.191665  0.415634  1
  P  P185  1  0.224117  0.868370  0.344205  1
  P  P186  1  0.557451  0.701703  0.344205  1
  P  P187  1  0.331901  0.524998  0.415634  1
  P  P188  1  0.557451  0.201703  0.344205  1
  P  P189  1  0.331901  0.024998  0.415634  1
  P  P190  1  0.890784  0.535037  0.344205  1
  P  P191  1  0.665234  0.358332  0.415634  1
  P  P192  1  0.998567  0.691665  0.415634  1
  P  P193  1  0.807850  0.958249  0.357072  1
  P  P194  1  0.582300  0.781544  0.428500  1
  P  P195  1  0.141184  0.291583  0.357072  1
  P  P196  1  0.915634  0.114878  0.428500  1
  P  P197  1  0.141184  0.791583  0.357072  1
  P  P198  1  0.474517  0.624916  0.357072  1
  P  P199  1  0.248967  0.448211  0.428500  1
  P  P200  1  0.474517  0.124916  0.357072  1
  P  P201  1  0.248967  0.948211  0.428500  1
  P  P202  1  0.807850  0.458249  0.357072  1
  P  P203  1  0.582300  0.281544  0.428500  1
  P  P204  1  0.915634  0.614878  0.428500  1
  P  P205  1  0.277090  0.113383  0.358948  1
  P  P206  1  0.171195  0.956054  0.287976  1
  P  P207  1  0.610423  0.446717  0.358948  1
  P  P208  1  0.504528  0.289387  0.287976  1
  P  P209  1  0.610423  0.946717  0.358948  1
  P  P210  1  0.943757  0.780050  0.358948  1
  P  P211  1  0.837862  0.622721  0.287976  1
  P  P212  1  0.943757  0.280050  0.358948  1
  P  P213  1  0.837862  0.122721  0.287976  1
  P  P214  1  0.277090  0.613383  0.358948  1
  P  P215  1  0.171195  0.456054  0.287976  1
  P  P216  1  0.504528  0.789387  0.287976  1
  P  P217  1  0.757559  0.968166  0.403025  1
  P  P218  1  0.651859  0.812162  0.330750  1
  P  P219  1  0.090893  0.301499  0.403025  1
  P  P220  1  0.985192  0.145495  0.330750  1
  P  P221  1  0.090893  0.801499  0.403025  1
  P  P222  1  0.424226  0.634833  0.403025  1
  P  P223  1  0.318526  0.478828  0.330750  1
  P  P224  1  0.424226  0.134833  0.403025  1
  P  P225  1  0.318526  0.978828  0.330750  1
  P  P226  1  0.757559  0.468166  0.403025  1
  P  P227  1  0.651859  0.312162  0.330750  1
  P  P228  1  0.985192  0.645495  0.330750  1
  P  P229  1  0.327381  0.103466  0.312995  1
  P  P230  1  0.101831  0.926761  0.384424  1
  P  P231  1  0.660714  0.436800  0.312995  1
  P  P232  1  0.435164  0.260095  0.384424  1
  P  P233  1  0.660714  0.936800  0.312995  1
  P  P234  1  0.994048  0.770133  0.312995  1
  P  P235  1  0.768498  0.593428  0.384424  1
  P  P236  1  0.994048  0.270133  0.312995  1
  P  P237  1  0.768498  0.093428  0.384424  1
  P  P238  1  0.327381  0.603466  0.312995  1
  P  P239  1  0.101831  0.426761  0.384424  1
  P  P240  1  0.435164  0.760095  0.384424  1
  P  P241  1  0.751986  0.978145  0.341837  1
  P  P242  1  0.526436  0.801440  0.413265  1
  P  P243  1  0.085320  0.311478  0.341837  1
  P  P244  1  0.859770  0.134773  0.413265  1
  P  P245  1  0.085320  0.811478  0.341837  1
  P  P246  1  0.418653  0.644811  0.341837  1
  P  P247  1  0.193103  0.468106  0.413265  1
  P  P248  1  0.418653  0.144811  0.341837  1
  P  P249  1  0.193103  0.968106  0.413265  1
  P  P250  1  0.751986  0.478145  0.341837  1
  P  P251  1  0.526436  0.301440  0.413265  1
  P  P252  1  0.859770  0.634773  0.413265  1
  P  P253  1  0.332954  0.093488  0.374184  1
  P  P254  1  0.223234  0.937510  0.302227  1
  P  P255  1  0.666287  0.426821  0.374184  1
  P  P256  1  0.556568  0.270843  0.302227  1
  P  P257  1  0.666287  0.926821  0.374184  1
  P  P258  1  0.999621  0.760154  0.374184  1
  P  P259  1  0.889901  0.604176  0.302227  1
  P  P260  1  0.999621  0.260154  0.374184  1
  P  P261  1  0.889901  0.104176  0.302227  1
  P  P262  1  0.332954  0.593488  0.374184  1
  P  P263  1  0.223234  0.437510  0.302227  1
  P  P264  1  0.556568  0.770843  0.302227  1
  P  P265  1  0.818874  0.987182  0.378027  1
  P  P266  1  0.708959  0.829879  0.307374  1
  P  P267  1  0.152207  0.320515  0.378027  1
  P  P268  1  0.042293  0.163213  0.307374  1
  P  P269  1  0.152207  0.820515  0.378027  1
  P  P270  1  0.485540  0.653849  0.378027  1
  P  P271  1  0.375626  0.496546  0.307374  1
  P  P272  1  0.485540  0.153849  0.378027  1
  P  P273  1  0.375626  0.996546  0.307374  1
  P  P274  1  0.818874  0.487182  0.378027  1
  P  P275  1  0.708959  0.329879  0.307374  1
  P  P276  1  0.042293  0.663213  0.307374  1
  P  P277  1  0.266067  0.084450  0.337994  1
  P  P278  1  0.040517  0.907745  0.409422  1
  P  P279  1  0.599400  0.417784  0.337994  1
  P  P280  1  0.373850  0.241079  0.409422  1
  P  P281  1  0.599400  0.917784  0.337994  1
  P  P282  1  0.932733  0.751117  0.337994  1
  P  P283  1  0.707183  0.574412  0.409422  1
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