# 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 0.000000 0.749958 0.500000 1 W W2 1 0.085614 0.876555 0.500001 1 W W3 1 0.000000 0.498260 0.500000 1 W W4 1 0.083749 0.622411 0.500001 1 W W5 1 0.169302 0.750991 0.500001 1 W W6 1 0.251366 0.875899 0.500002 1 W W7 1 0.000000 0.249059 0.499999 1 W W8 1 0.083383 0.373739 0.500000 1 W W9 1 0.166520 0.498682 0.500000 1 W W10 1 0.249744 0.625167 0.500001 1 W W11 1 0.334239 0.750900 0.500002 1 W W12 1 0.417185 0.875820 0.500002 1 W W13 1 0.000000 -0.000413 0.500000 1 W W14 1 0.083539 0.124521 0.499999 1 W W15 1 0.166838 0.249359 0.499999 1 W W16 1 0.250092 0.374396 0.500000 1 W W17 1 0.333237 0.499965 0.500000 1 W W18 1 0.416672 0.625373 0.500001 1 W W19 1 0.500000 0.750652 0.500002 1 W W20 1 0.582815 0.875820 0.500001 1 W W21 1 0.167927 0.000404 0.500000 1 W W22 1 0.250524 0.125148 0.499999 1 W W23 1 0.333555 0.250001 0.499999 1 W W24 1 0.416681 0.375109 0.499999 1 W W25 1 0.500000 0.500227 0.500000 1 W W26 1 0.583328 0.625373 0.500001 1 W W27 1 0.665761 0.750900 0.500002 1 W W28 1 0.748634 0.875899 0.500001 1 W W29 1 0.334099 0.000698 0.500001 1 W W30 1 0.416920 0.125491 0.499999 1 W W31 1 0.500000 0.250299 0.499999 1 W W32 1 0.583319 0.375109 0.499999 1 W W33 1 0.666763 0.499965 0.500000 1 W W34 1 0.750256 0.625167 0.500001 1 W W35 1 0.830698 0.750991 0.500001 1 W W36 1 0.914386 0.876555 0.500001 1 W W37 1 0.500000 0.000736 0.500000 1 W W38 1 0.583080 0.125491 0.499999 1 W W39 1 0.666445 0.250001 0.499999 1 W W40 1 0.749908 0.374396 0.499999 1 W W41 1 0.833480 0.498682 0.500000 1 W W42 1 0.916251 0.622411 0.500001 1 W W43 1 0.665901 0.000698 0.500000 1 W W44 1 0.749476 0.125148 0.499999 1 W W45 1 0.833162 0.249359 0.500000 1 W W46 1 0.916617 0.373739 0.500000 1 W W47 1 0.832073 0.000404 0.500000 1 W W48 1 0.916461 0.124521 0.499999 1 S S49 1 0.087727 0.793902 0.387427 1 S S50 1 0.168279 0.917644 0.388789 1 S S51 1 0.083453 0.539780 0.388904 1 S S52 1 0.166167 0.666921 0.390303 1 S S53 1 0.251667 0.792572 0.388843 1 S S54 1 0.334197 0.917490 0.389049 1 S S55 1 0.083372 0.290639 0.389215 1 S S56 1 0.166670 0.415628 0.389229 1 S S57 1 0.249729 0.541570 0.389561 1 S S58 1 0.333241 0.667052 0.389524 1 S S59 1 0.417129 0.792412 0.389132 1 S S60 1 0.500000 0.917504 0.389058 1 S S61 1 0.083568 0.041245 0.389430 1 S S62 1 0.166839 0.166190 0.389244 1 S S63 1 0.250097 0.291232 0.389237 1 S S64 1 0.333252 0.416632 0.389363 1 S S65 1 0.416550 0.541927 0.389465 1 S S66 1 0.500000 0.667088 0.389388 1 S S67 1 0.582872 0.792412 0.389133 1 S S68 1 0.665803 0.917490 0.389050 1 S S69 1 0.250773 0.042086 0.389089 1 S S70 1 0.333618 0.166886 0.389149 1 S S71 1 0.416714 0.291879 0.389238 1 S S72 1 0.500000 0.416901 0.389340 1 S S73 1 0.583450 0.541927 0.389465 1 S S74 1 0.666759 0.667052 0.389525 1 S S75 1 0.748333 0.792572 0.388843 1 S S76 1 0.831721 0.917644 0.388789 1 S S77 1 0.417003 0.042347 0.389057 1 S S78 1 0.500000 0.167149 0.389122 1 S S79 1 0.583286 0.291879 0.389239 1 S S80 1 0.666748 0.416632 0.389363 1 S S81 1 0.750271 0.541570 0.389560 1 S S82 1 0.833833 0.666921 0.390303 1 S S83 1 0.912273 0.793902 0.387427 1 S S84 1 -0.000000 0.916099 0.390246 1 S S85 1 0.582998 0.042347 0.389057 1 S S86 1 0.666382 0.166886 0.389149 1 S S87 1 0.749903 0.291232 0.389237 1 S S88 1 0.833330 0.415628 0.389229 1 S S89 1 0.916547 0.539780 0.388904 1 S S90 1 0.000000 0.662121 0.387479 1 S S91 1 0.749227 0.042086 0.389089 1 S S92 1 0.833160 0.166190 0.389244 1 S S93 1 0.916628 0.290639 0.389215 1 S S94 1 0.000000 0.415225 0.389192 1 S S95 1 0.916432 0.041245 0.389430 1 S S96 1 0.000000 0.165847 0.389310 1 S S97 1 0.087727 0.793902 0.612572 1 S S98 1 0.168279 0.917644 0.611210 1 S S99 1 0.083453 0.539780 0.611096 1 S S100 1 0.166167 0.666921 0.609696 1 S S101 1 0.251667 0.792572 0.611155 1 S S102 1 0.334197 0.917490 0.610949 1 S S103 1 0.083372 0.290639 0.610785 1 S S104 1 0.166670 0.415628 0.610771 1 S S105 1 0.249729 0.541570 0.610439 1 S S106 1 0.333241 0.667053 0.610474 1 S S107 1 0.417128 0.792412 0.610866 1 S S108 1 0.500000 0.917504 0.610940 1 S S109 1 0.083568 0.041245 0.610571 1 S S110 1 0.166840 0.166190 0.610757 1 S S111 1 0.250097 0.291232 0.610763 1 S S112 1 0.333252 0.416632 0.610638 1 S S113 1 0.416550 0.541926 0.610536 1 S S114 1 0.500000 0.667088 0.610611 1 S S115 1 0.582872 0.792412 0.610866 1 S S116 1 0.665803 0.917490 0.610949 1 S S117 1 0.250773 0.042085 0.610911 1 S S118 1 0.333618 0.166886 0.610852 1 S S119 1 0.416714 0.291879 0.610762 1 S S120 1 0.500000 0.416901 0.610660 1 S S121 1 0.583450 0.541926 0.610536 1 S S122 1 0.666759 0.667053 0.610474 1 S S123 1 0.748333 0.792572 0.611155 1 S S124 1 0.831721 0.917644 0.611210 1 S S125 1 0.417002 0.042347 0.610943 1 S S126 1 0.500000 0.167149 0.610879 1 S S127 1 0.583286 0.291879 0.610762 1 S S128 1 0.666748 0.416632 0.610638 1 S S129 1 0.750271 0.541570 0.610439 1 S S130 1 0.833833 0.666921 0.609696 1 S S131 1 0.912273 0.793902 0.612573 1 S S132 1 -0.000000 0.916099 0.609754 1 S S133 1 0.582997 0.042347 0.610943 1 S S134 1 0.666382 0.166886 0.610852 1 S S135 1 0.749903 0.291232 0.610764 1 S S136 1 0.833330 0.415628 0.610771 1 S S137 1 0.916547 0.539780 0.611096 1 S S138 1 -0.000000 0.662121 0.612521 1 S S139 1 0.749227 0.042085 0.610911 1 S S140 1 0.833160 0.166190 0.610757 1 S S141 1 0.916628 0.290639 0.610785 1 S S142 1 0.000000 0.415225 0.610809 1 S S143 1 0.916432 0.041245 0.610571 1 S S144 1 -0.000000 0.165847 0.610690 1