# generated using pymatgen data_SiW47S96 _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 SiW47S96 _chemical_formula_sum 'Si1 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 Si Si1 1 0.000000 0.749853 0.500000 1 W W2 1 0.085161 0.877336 0.500000 1 W W3 1 -0.000000 0.499892 0.500000 1 W W4 1 0.084608 0.622423 0.500000 1 W W5 1 0.169839 0.749921 0.500000 1 W W6 1 0.249557 0.875203 0.500000 1 W W7 1 0.000000 0.248886 0.499999 1 W W8 1 0.084902 0.374279 0.499999 1 W W9 1 0.165631 0.498778 0.500000 1 W W10 1 0.250515 0.624902 0.500000 1 W W11 1 0.333631 0.750705 0.500001 1 W W12 1 0.417942 0.875337 0.500001 1 W W13 1 -0.000000 0.000274 0.499999 1 W W14 1 0.082047 0.125156 0.500000 1 W W15 1 0.166613 0.250162 0.500000 1 W W16 1 0.248263 0.375165 0.500000 1 W W17 1 0.333631 0.500490 0.500000 1 W W18 1 0.415892 0.624878 0.500000 1 W W19 1 0.500000 0.750728 0.500000 1 W W20 1 0.582058 0.875337 0.500000 1 W W21 1 0.168086 -0.000585 0.500000 1 W W22 1 0.251496 0.124961 0.500000 1 W W23 1 0.333392 0.249539 0.500000 1 W W24 1 0.418342 0.375450 0.499999 1 W W25 1 0.500000 0.499890 0.499999 1 W W26 1 0.584108 0.624878 0.499999 1 W W27 1 0.666369 0.750705 0.499999 1 W W28 1 0.750443 0.875203 0.500000 1 W W29 1 0.333766 0.000901 0.500000 1 W W30 1 0.415246 0.125281 0.500000 1 W W31 1 0.500000 0.250936 0.500000 1 W W32 1 0.581658 0.375450 0.499999 1 W W33 1 0.666369 0.500490 0.499999 1 W W34 1 0.749485 0.624902 0.499999 1 W W35 1 0.830161 0.749921 0.499999 1 W W36 1 0.914839 0.877336 0.499999 1 W W37 1 0.500000 -0.000173 0.500000 1 W W38 1 0.584754 0.125281 0.500000 1 W W39 1 0.666608 0.249539 0.499999 1 W W40 1 0.751737 0.375165 0.499999 1 W W41 1 0.834369 0.498778 0.499999 1 W W42 1 0.915392 0.622423 0.500000 1 W W43 1 0.666234 0.000901 0.500000 1 W W44 1 0.748504 0.124961 0.499999 1 W W45 1 0.833386 0.250162 0.499999 1 W W46 1 0.915098 0.374279 0.499999 1 W W47 1 0.831914 -0.000585 0.499999 1 W W48 1 0.917953 0.125156 0.499999 1 S S49 1 0.081712 0.790731 0.394764 1 S S50 1 0.167624 0.917005 0.387933 1 S S51 1 0.083080 0.540467 0.388130 1 S S52 1 0.166881 0.666304 0.390013 1 S S53 1 0.250944 0.792337 0.388361 1 S S54 1 0.333860 0.917040 0.389856 1 S S55 1 0.083122 0.291008 0.389353 1 S S56 1 0.166471 0.416450 0.388204 1 S S57 1 0.249633 0.541326 0.389873 1 S S58 1 0.333315 0.666994 0.389440 1 S S59 1 0.416896 0.792021 0.389331 1 S S60 1 0.500000 0.917147 0.388708 1 S S61 1 0.083898 0.041491 0.389962 1 S S62 1 0.166808 0.166297 0.389952 1 S S63 1 0.250103 0.291649 0.389697 1 S S64 1 0.333294 0.416404 0.390144 1 S S65 1 0.416805 0.541754 0.389205 1 S S66 1 0.500000 0.666702 0.389917 1 S S67 1 0.583104 0.792021 0.389331 1 S S68 1 0.666140 0.917040 0.389856 1 S S69 1 0.250463 0.041886 0.389195 1 S S70 1 0.333338 0.167000 0.388609 1 S S71 1 0.416570 0.291964 0.389605 1 S S72 1 0.500000 0.417364 0.388258 1 S S73 1 0.583195 0.541754 0.389205 1 S S74 1 0.666685 0.666994 0.389439 1 S S75 1 0.749057 0.792338 0.388360 1 S S76 1 0.832377 0.917005 0.387934 1 S S77 1 0.417094 0.041994 0.389383 1 S S78 1 0.500000 0.166844 0.390102 1 S S79 1 0.583430 0.291964 0.389605 1 S S80 1 0.666706 0.416404 0.390144 1 S S81 1 0.750367 0.541326 0.389873 1 S S82 1 0.833119 0.666304 0.390013 1 S S83 1 0.918288 0.790731 0.394764 1 S S84 1 -0.000000 0.916904 0.389945 1 S S85 1 0.582906 0.041994 0.389383 1 S S86 1 0.666662 0.167000 0.388609 1 S S87 1 0.749897 0.291649 0.389697 1 S S88 1 0.833529 0.416449 0.388205 1 S S89 1 0.916920 0.540467 0.388130 1 S S90 1 0.000000 0.668361 0.394624 1 S S91 1 0.749537 0.041886 0.389195 1 S S92 1 0.833192 0.166297 0.389952 1 S S93 1 0.916878 0.291008 0.389353 1 S S94 1 -0.000000 0.415533 0.390280 1 S S95 1 0.916102 0.041491 0.389962 1 S S96 1 -0.000000 0.166494 0.388284 1 S S97 1 0.081712 0.790731 0.605236 1 S S98 1 0.167623 0.917005 0.612067 1 S S99 1 0.083080 0.540467 0.611870 1 S S100 1 0.166881 0.666304 0.609987 1 S S101 1 0.250943 0.792338 0.611640 1 S S102 1 0.333860 0.917040 0.610144 1 S S103 1 0.083122 0.291008 0.610648 1 S S104 1 0.166471 0.416449 0.611796 1 S S105 1 0.249633 0.541326 0.610127 1 S S106 1 0.333315 0.666994 0.610561 1 S S107 1 0.416896 0.792021 0.610669 1 S S108 1 0.500000 0.917147 0.611291 1 S S109 1 0.083898 0.041491 0.610038 1 S S110 1 0.166808 0.166297 0.610048 1 S S111 1 0.250103 0.291649 0.610303 1 S S112 1 0.333294 0.416404 0.609857 1 S S113 1 0.416805 0.541754 0.610795 1 S S114 1 0.500000 0.666702 0.610083 1 S S115 1 0.583104 0.792021 0.610668 1 S S116 1 0.666140 0.917040 0.610143 1 S S117 1 0.250463 0.041886 0.610805 1 S S118 1 0.333338 0.167000 0.611391 1 S S119 1 0.416570 0.291964 0.610396 1 S S120 1 0.500000 0.417364 0.611743 1 S S121 1 0.583195 0.541754 0.610795 1 S S122 1 0.666685 0.666995 0.610560 1 S S123 1 0.749056 0.792337 0.611639 1 S S124 1 0.832376 0.917005 0.612067 1 S S125 1 0.417094 0.041994 0.610617 1 S S126 1 0.500000 0.166843 0.609898 1 S S127 1 0.583430 0.291964 0.610396 1 S S128 1 0.666706 0.416404 0.609857 1 S S129 1 0.750367 0.541326 0.610127 1 S S130 1 0.833119 0.666304 0.609987 1 S S131 1 0.918288 0.790731 0.605236 1 S S132 1 0.000000 0.916904 0.610055 1 S S133 1 0.582906 0.041994 0.610617 1 S S134 1 0.666662 0.167000 0.611391 1 S S135 1 0.749897 0.291649 0.610303 1 S S136 1 0.833529 0.416450 0.611796 1 S S137 1 0.916920 0.540467 0.611870 1 S S138 1 -0.000000 0.668361 0.605377 1 S S139 1 0.749537 0.041886 0.610805 1 S S140 1 0.833192 0.166297 0.610048 1 S S141 1 0.916877 0.291009 0.610647 1 S S142 1 0.000000 0.415533 0.609721 1 S S143 1 0.916102 0.041491 0.610038 1 S S144 1 0.000000 0.166494 0.611717 1