# generated using pymatgen data_ScW47S96 _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 ScW47S96 _chemical_formula_sum 'Sc1 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 Sc Sc1 1 -0.000002 0.750116 0.500000 1 W W2 1 0.087868 0.877325 0.500000 1 W W3 1 0.000001 0.497556 0.500000 1 W W4 1 0.083550 0.621450 0.500000 1 W W5 1 0.170641 0.751304 0.500000 1 W W6 1 0.252010 0.876270 0.500000 1 W W7 1 -0.000000 0.249527 0.500000 1 W W8 1 0.083550 0.373876 0.500000 1 W W9 1 0.167629 0.498245 0.500000 1 W W10 1 0.249881 0.624779 0.500000 1 W W11 1 0.335089 0.750207 0.500000 1 W W12 1 0.417333 0.875507 0.500000 1 W W13 1 -0.000003 -0.000066 0.500000 1 W W14 1 0.083563 0.125074 0.500000 1 W W15 1 0.166935 0.249685 0.500000 1 W W16 1 0.250438 0.374276 0.500000 1 W W17 1 0.333524 0.499710 0.500000 1 W W18 1 0.416852 0.624834 0.500000 1 W W19 1 0.500000 0.750048 0.500000 1 W W20 1 0.582668 0.875507 0.500000 1 W W21 1 0.167800 0.001481 0.500001 1 W W22 1 0.250568 0.125612 0.500000 1 W W23 1 0.333704 0.250075 0.500000 1 W W24 1 0.416833 0.374949 0.500000 1 W W25 1 0.500000 0.499794 0.500000 1 W W26 1 0.583148 0.624832 0.500000 1 W W27 1 0.664908 0.750207 0.500000 1 W W28 1 0.747986 0.876273 0.500000 1 W W29 1 0.334228 0.000868 0.500000 1 W W30 1 0.416925 0.125486 0.500000 1 W W31 1 0.500000 0.250223 0.500000 1 W W32 1 0.583167 0.374948 0.500000 1 W W33 1 0.666475 0.499711 0.500000 1 W W34 1 0.750116 0.624781 0.500000 1 W W35 1 0.829378 0.751289 0.500000 1 W W36 1 0.912134 0.877314 0.500000 1 W W37 1 0.499999 0.000605 0.500000 1 W W38 1 0.583075 0.125486 0.500000 1 W W39 1 0.666296 0.250075 0.500000 1 W W40 1 0.749563 0.374276 0.500000 1 W W41 1 0.832373 0.498242 0.500000 1 W W42 1 0.916435 0.621468 0.500000 1 W W43 1 0.665772 0.000867 0.500000 1 W W44 1 0.749431 0.125612 0.500000 1 W W45 1 0.833066 0.249685 0.500000 1 W W46 1 0.916450 0.373877 0.500000 1 W W47 1 0.832202 0.001483 0.500000 1 W W48 1 0.916437 0.125073 0.500000 1 S S49 1 0.089544 0.795035 0.389742 1 S S50 1 0.169675 0.919031 0.388705 1 S S51 1 0.084116 0.538505 0.389277 1 S S52 1 0.166441 0.666884 0.390258 1 S S53 1 0.253249 0.792691 0.389116 1 S S54 1 0.334713 0.917668 0.388927 1 S S55 1 0.083471 0.290901 0.389098 1 S S56 1 0.167143 0.415285 0.389025 1 S S57 1 0.250272 0.541226 0.389250 1 S S58 1 0.333568 0.666493 0.389397 1 S S59 1 0.417599 0.792065 0.388918 1 S S60 1 0.500000 0.917307 0.388997 1 S S61 1 0.083400 0.041910 0.389256 1 S S62 1 0.166897 0.166655 0.389091 1 S S63 1 0.250338 0.291253 0.389071 1 S S64 1 0.333548 0.416411 0.389187 1 S S65 1 0.416763 0.541479 0.389237 1 S S66 1 0.500000 0.666517 0.389161 1 S S67 1 0.582401 0.792065 0.388917 1 S S68 1 0.665285 0.917668 0.388925 1 S S69 1 0.251034 0.042712 0.389022 1 S S70 1 0.333753 0.167055 0.389020 1 S S71 1 0.416839 0.291794 0.389084 1 S S72 1 0.500000 0.416597 0.389101 1 S S73 1 0.583237 0.541478 0.389235 1 S S74 1 0.666429 0.666494 0.389396 1 S S75 1 0.746757 0.792688 0.389125 1 S S76 1 0.830325 0.919030 0.388708 1 S S77 1 0.417113 0.042380 0.388956 1 S S78 1 0.500000 0.167106 0.389044 1 S S79 1 0.583161 0.291794 0.389083 1 S S80 1 0.666453 0.416411 0.389187 1 S S81 1 0.749728 0.541225 0.389252 1 S S82 1 0.833551 0.666877 0.390247 1 S S83 1 0.910461 0.795036 0.389741 1 S S84 1 0.000003 0.915934 0.390821 1 S S85 1 0.582886 0.042380 0.388956 1 S S86 1 0.666246 0.167056 0.389019 1 S S87 1 0.749662 0.291253 0.389072 1 S S88 1 0.832857 0.415284 0.389023 1 S S89 1 0.915883 0.538511 0.389283 1 S S90 1 0.000004 0.660467 0.389813 1 S S91 1 0.748965 0.042711 0.389023 1 S S92 1 0.833102 0.166654 0.389091 1 S S93 1 0.916528 0.290901 0.389098 1 S S94 1 -0.000000 0.414875 0.388902 1 S S95 1 0.916598 0.041911 0.389253 1 S S96 1 0.000000 0.166442 0.389228 1 S S97 1 0.089544 0.795035 0.610258 1 S S98 1 0.169675 0.919031 0.611296 1 S S99 1 0.084116 0.538505 0.610723 1 S S100 1 0.166441 0.666884 0.609742 1 S S101 1 0.253249 0.792691 0.610884 1 S S102 1 0.334713 0.917668 0.611073 1 S S103 1 0.083471 0.290901 0.610902 1 S S104 1 0.167143 0.415285 0.610975 1 S S105 1 0.250272 0.541226 0.610750 1 S S106 1 0.333568 0.666493 0.610603 1 S S107 1 0.417599 0.792065 0.611082 1 S S108 1 0.500000 0.917307 0.611003 1 S S109 1 0.083400 0.041910 0.610744 1 S S110 1 0.166897 0.166655 0.610909 1 S S111 1 0.250338 0.291253 0.610929 1 S S112 1 0.333548 0.416411 0.610813 1 S S113 1 0.416763 0.541479 0.610763 1 S S114 1 0.500000 0.666517 0.610839 1 S S115 1 0.582401 0.792065 0.611083 1 S S116 1 0.665285 0.917668 0.611075 1 S S117 1 0.251034 0.042712 0.610978 1 S S118 1 0.333753 0.167055 0.610980 1 S S119 1 0.416839 0.291794 0.610916 1 S S120 1 0.500000 0.416597 0.610899 1 S S121 1 0.583237 0.541478 0.610765 1 S S122 1 0.666430 0.666494 0.610603 1 S S123 1 0.746757 0.792688 0.610875 1 S S124 1 0.830325 0.919030 0.611292 1 S S125 1 0.417113 0.042380 0.611044 1 S S126 1 0.500000 0.167106 0.610956 1 S S127 1 0.583161 0.291794 0.610917 1 S S128 1 0.666453 0.416411 0.610813 1 S S129 1 0.749728 0.541225 0.610748 1 S S130 1 0.833551 0.666877 0.609753 1 S S131 1 0.910461 0.795036 0.610259 1 S S132 1 0.000003 0.915934 0.609179 1 S S133 1 0.582886 0.042380 0.611043 1 S S134 1 0.666246 0.167056 0.610981 1 S S135 1 0.749662 0.291253 0.610928 1 S S136 1 0.832857 0.415284 0.610977 1 S S137 1 0.915883 0.538511 0.610717 1 S S138 1 0.000004 0.660467 0.610186 1 S S139 1 0.748965 0.042711 0.610977 1 S S140 1 0.833102 0.166654 0.610909 1 S S141 1 0.916528 0.290901 0.610902 1 S S142 1 -0.000000 0.414875 0.611097 1 S S143 1 0.916598 0.041911 0.610747 1 S S144 1 0.000000 0.166442 0.610772 1