# generated using pymatgen data_PW47S96 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.14455100 _cell_length_b 22.10622300 _cell_length_c 14.20054100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PW47S96 _chemical_formula_sum 'P1 W47 S96' _cell_volume 6009.86369232 _cell_formula_units_Z 1 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 0.000000 0.749742 0.500000 1 W W2 1 0.084647 0.876715 0.500000 1 W W3 1 -0.000000 0.498913 0.500001 1 W W4 1 0.084385 0.623105 0.500000 1 W W5 1 0.168970 0.750175 0.500000 1 W W6 1 0.250866 0.875579 0.500000 1 W W7 1 0.000000 0.249199 0.500000 1 W W8 1 0.083312 0.374013 0.500000 1 W W9 1 0.166103 0.499124 0.500000 1 W W10 1 0.249807 0.625162 0.500000 1 W W11 1 0.333748 0.750946 0.500000 1 W W12 1 0.417080 0.875684 0.499999 1 W W13 1 -0.000000 -0.000341 0.500000 1 W W14 1 0.083483 0.124580 0.500000 1 W W15 1 0.166752 0.249448 0.500000 1 W W16 1 0.249982 0.374648 0.500000 1 W W17 1 0.333247 0.500018 0.500000 1 W W18 1 0.416685 0.625369 0.500000 1 W W19 1 0.500000 0.750533 0.500000 1 W W20 1 0.582920 0.875684 0.499999 1 W W21 1 0.167728 -0.000094 0.500000 1 W W22 1 0.250294 0.124994 0.500000 1 W W23 1 0.333427 0.249980 0.500000 1 W W24 1 0.416634 0.375112 0.500000 1 W W25 1 0.500000 0.500274 0.500000 1 W W26 1 0.583315 0.625369 0.500000 1 W W27 1 0.666252 0.750946 0.500000 1 W W28 1 0.749134 0.875579 0.500000 1 W W29 1 0.333921 0.000485 0.499999 1 W W30 1 0.416869 0.125338 0.500000 1 W W31 1 0.500000 0.250173 0.500000 1 W W32 1 0.583366 0.375112 0.500000 1 W W33 1 0.666753 0.500018 0.500000 1 W W34 1 0.750193 0.625162 0.500000 1 W W35 1 0.831030 0.750175 0.500000 1 W W36 1 0.915353 0.876715 0.500000 1 W W37 1 0.500000 0.000532 0.500000 1 W W38 1 0.583131 0.125338 0.500000 1 W W39 1 0.666573 0.249980 0.500000 1 W W40 1 0.750018 0.374648 0.500001 1 W W41 1 0.833897 0.499124 0.500001 1 W W42 1 0.915615 0.623105 0.500000 1 W W43 1 0.666079 0.000485 0.500000 1 W W44 1 0.749706 0.124994 0.500000 1 W W45 1 0.833248 0.249448 0.500001 1 W W46 1 0.916688 0.374013 0.500001 1 W W47 1 0.832272 -0.000094 0.500000 1 W W48 1 0.916517 0.124580 0.500000 1 S S49 1 0.084301 0.792205 0.390101 1 S S50 1 0.167765 0.916962 0.388588 1 S S51 1 0.083057 0.540565 0.388668 1 S S52 1 0.166401 0.666826 0.389759 1 S S53 1 0.250797 0.792456 0.388640 1 S S54 1 0.333964 0.917254 0.389063 1 S S55 1 0.083333 0.290833 0.389223 1 S S56 1 0.166505 0.416006 0.389260 1 S S57 1 0.249654 0.541617 0.389587 1 S S58 1 0.333231 0.667082 0.389538 1 S S59 1 0.416896 0.792288 0.389179 1 S S60 1 0.500000 0.917320 0.389018 1 S S61 1 0.083581 0.041226 0.389461 1 S S62 1 0.166759 0.166243 0.389243 1 S S63 1 0.249991 0.291377 0.389311 1 S S64 1 0.333226 0.416689 0.389364 1 S S65 1 0.416561 0.541955 0.389419 1 S S66 1 0.500000 0.667083 0.389343 1 S S67 1 0.583104 0.792288 0.389179 1 S S68 1 0.666036 0.917254 0.389063 1 S S69 1 0.250516 0.041804 0.389135 1 S S70 1 0.333472 0.166765 0.389243 1 S S71 1 0.416676 0.291823 0.389323 1 S S72 1 0.500000 0.416893 0.389405 1 S S73 1 0.583438 0.541955 0.389419 1 S S74 1 0.666769 0.667082 0.389537 1 S S75 1 0.749203 0.792456 0.388640 1 S S76 1 0.832235 0.916962 0.388588 1 S S77 1 0.416904 0.042163 0.389099 1 S S78 1 0.500000 0.166986 0.389169 1 S S79 1 0.583324 0.291823 0.389323 1 S S80 1 0.666774 0.416689 0.389364 1 S S81 1 0.750346 0.541617 0.389587 1 S S82 1 0.833599 0.666826 0.389759 1 S S83 1 0.915699 0.792205 0.390101 1 S S84 1 -0.000000 0.916342 0.389716 1 S S85 1 0.583096 0.042163 0.389099 1 S S86 1 0.666528 0.166765 0.389243 1 S S87 1 0.750009 0.291377 0.389311 1 S S88 1 0.833495 0.416006 0.389260 1 S S89 1 0.916944 0.540565 0.388668 1 S S90 1 -0.000000 0.665648 0.390149 1 S S91 1 0.749485 0.041804 0.389135 1 S S92 1 0.833241 0.166243 0.389243 1 S S93 1 0.916667 0.290833 0.389223 1 S S94 1 0.000000 0.415617 0.389190 1 S S95 1 0.916419 0.041226 0.389461 1 S S96 1 0.000000 0.165953 0.389280 1 S S97 1 0.084301 0.792205 0.609899 1 S S98 1 0.167765 0.916962 0.611412 1 S S99 1 0.083057 0.540565 0.611332 1 S S100 1 0.166401 0.666826 0.610241 1 S S101 1 0.250797 0.792456 0.611360 1 S S102 1 0.333964 0.917254 0.610938 1 S S103 1 0.083333 0.290833 0.610777 1 S S104 1 0.166505 0.416006 0.610740 1 S S105 1 0.249654 0.541617 0.610412 1 S S106 1 0.333231 0.667082 0.610463 1 S S107 1 0.416896 0.792288 0.610821 1 S S108 1 0.500000 0.917320 0.610983 1 S S109 1 0.083581 0.041226 0.610539 1 S S110 1 0.166759 0.166243 0.610757 1 S S111 1 0.249991 0.291377 0.610689 1 S S112 1 0.333226 0.416689 0.610636 1 S S113 1 0.416561 0.541955 0.610581 1 S S114 1 0.500000 0.667083 0.610658 1 S S115 1 0.583104 0.792288 0.610821 1 S S116 1 0.666036 0.917254 0.610937 1 S S117 1 0.250515 0.041804 0.610865 1 S S118 1 0.333472 0.166765 0.610757 1 S S119 1 0.416676 0.291823 0.610677 1 S S120 1 0.500000 0.416893 0.610595 1 S S121 1 0.583439 0.541955 0.610581 1 S S122 1 0.666769 0.667082 0.610463 1 S S123 1 0.749203 0.792456 0.611360 1 S S124 1 0.832235 0.916962 0.611412 1 S S125 1 0.416904 0.042163 0.610902 1 S S126 1 0.500000 0.166986 0.610831 1 S S127 1 0.583324 0.291823 0.610677 1 S S128 1 0.666774 0.416689 0.610636 1 S S129 1 0.750346 0.541617 0.610412 1 S S130 1 0.833599 0.666826 0.610241 1 S S131 1 0.915699 0.792205 0.609899 1 S S132 1 -0.000000 0.916342 0.610284 1 S S133 1 0.583096 0.042163 0.610901 1 S S134 1 0.666528 0.166765 0.610757 1 S S135 1 0.750009 0.291377 0.610688 1 S S136 1 0.833495 0.416006 0.610740 1 S S137 1 0.916943 0.540565 0.611332 1 S S138 1 -0.000000 0.665648 0.609851 1 S S139 1 0.749485 0.041804 0.610865 1 S S140 1 0.833241 0.166243 0.610757 1 S S141 1 0.916667 0.290833 0.610777 1 S S142 1 -0.000000 0.415617 0.610809 1 S S143 1 0.916419 0.041226 0.610539 1 S S144 1 -0.000000 0.165953 0.610720 1