# generated using pymatgen data_SbW48S95 _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 SbW48S95 _chemical_formula_sum 'Sb1 W48 S95' _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 Sb Sb1 1 0.083333 0.791781 0.347140 1 W W2 1 0.001840 0.750585 0.502301 1 W W3 1 0.083333 0.873602 0.502054 1 W W4 1 -0.000136 0.500066 0.500259 1 W W5 1 0.083333 0.626002 0.501425 1 W W6 1 0.164827 0.750585 0.502301 1 W W7 1 0.249036 0.874620 0.501324 1 W W8 1 -0.000007 0.250153 0.499984 1 W W9 1 0.083333 0.375469 0.499990 1 W W10 1 0.166803 0.500066 0.500259 1 W W11 1 0.250255 0.624925 0.500323 1 W W12 1 0.333568 0.749800 0.500280 1 W W13 1 0.416812 0.874819 0.500184 1 W W14 1 0.000060 0.000293 0.500354 1 W W15 1 0.083333 0.125473 0.500208 1 W W16 1 0.166674 0.250153 0.499984 1 W W17 1 0.249813 0.375253 0.500003 1 W W18 1 0.333416 0.500118 0.500016 1 W W19 1 0.417061 0.624772 0.500193 1 W W20 1 0.499930 0.749838 0.499997 1 W W21 1 0.583333 0.874929 0.500009 1 W W22 1 0.166606 0.000293 0.500354 1 W W23 1 0.249842 0.125067 0.500029 1 W W24 1 0.333294 0.250148 0.499915 1 W W25 1 0.416742 0.374968 0.499963 1 W W26 1 0.499881 0.499961 0.500017 1 W W27 1 0.583333 0.624948 0.500036 1 W W28 1 0.666736 0.749838 0.499997 1 W W29 1 0.749855 0.874819 0.500184 1 W W30 1 0.333291 0.000056 0.500259 1 W W31 1 0.416619 0.124784 0.500002 1 W W32 1 0.499818 0.249927 0.499966 1 W W33 1 0.583333 0.374970 0.500012 1 W W34 1 0.666785 0.499961 0.500017 1 W W35 1 0.749606 0.624772 0.500193 1 W W36 1 0.833098 0.749800 0.500280 1 W W37 1 0.917631 0.874620 0.501323 1 W W38 1 0.499739 -0.000255 0.499943 1 W W39 1 0.583333 0.124876 0.499935 1 W W40 1 0.666848 0.249926 0.499966 1 W W41 1 0.749924 0.374968 0.499963 1 W W42 1 0.833251 0.500118 0.500016 1 W W43 1 0.916412 0.624925 0.500323 1 W W44 1 0.666928 -0.000255 0.499943 1 W W45 1 0.750048 0.124784 0.500002 1 W W46 1 0.833372 0.250148 0.499915 1 W W47 1 0.916854 0.375253 0.500003 1 W W48 1 0.833376 0.000056 0.500259 1 W W49 1 0.916825 0.125067 0.500029 1 S S50 1 0.166470 0.916363 0.390670 1 S S51 1 0.083333 0.542600 0.390203 1 S S52 1 0.166341 0.666951 0.390698 1 S S53 1 0.249315 0.791688 0.390848 1 S S54 1 0.332534 0.916196 0.390157 1 S S55 1 0.083333 0.292030 0.389397 1 S S56 1 0.166563 0.416988 0.389178 1 S S57 1 0.249944 0.541630 0.389361 1 S S58 1 0.333571 0.666519 0.389516 1 S S59 1 0.416731 0.791685 0.389275 1 S S60 1 0.499885 0.916524 0.389167 1 S S61 1 0.083333 0.041966 0.389596 1 S S62 1 0.166600 0.166817 0.389261 1 S S63 1 0.249971 0.291846 0.389273 1 S S64 1 0.333329 0.416795 0.389360 1 S S65 1 0.416724 0.541661 0.389178 1 S S66 1 0.500031 0.666561 0.389184 1 S S67 1 0.583333 0.791493 0.389266 1 S S68 1 0.666782 0.916524 0.389167 1 S S69 1 0.250099 0.041659 0.389427 1 S S70 1 0.333240 0.166629 0.389389 1 S S71 1 0.416600 0.291696 0.389208 1 S S72 1 0.500020 0.416636 0.389280 1 S S73 1 0.583333 0.541584 0.389371 1 S S74 1 0.666636 0.666561 0.389184 1 S S75 1 0.749935 0.791685 0.389275 1 S S76 1 0.834132 0.916196 0.390157 1 S S77 1 0.416512 0.041454 0.389228 1 S S78 1 0.499949 0.166543 0.389336 1 S S79 1 0.583333 0.291553 0.389444 1 S S80 1 0.666647 0.416636 0.389280 1 S S81 1 0.749943 0.541661 0.389178 1 S S82 1 0.833095 0.666519 0.389516 1 S S83 1 0.917352 0.791688 0.390848 1 S S84 1 0.000196 0.916363 0.390670 1 S S85 1 0.583333 0.041345 0.389413 1 S S86 1 0.666718 0.166543 0.389336 1 S S87 1 0.750066 0.291696 0.389208 1 S S88 1 0.833338 0.416795 0.389360 1 S S89 1 0.916723 0.541630 0.389361 1 S S90 1 0.000325 0.666951 0.390698 1 S S91 1 0.750154 0.041454 0.389228 1 S S92 1 0.833427 0.166629 0.389389 1 S S93 1 0.916696 0.291846 0.389273 1 S S94 1 0.000104 0.416988 0.389178 1 S S95 1 0.916568 0.041659 0.389427 1 S S96 1 0.000066 0.166817 0.389261 1 S S97 1 0.083333 0.791766 0.613520 1 S S98 1 0.166122 0.917170 0.612068 1 S S99 1 0.083333 0.541884 0.610986 1 S S100 1 0.167507 0.666833 0.612183 1 S S101 1 0.250107 0.790952 0.611940 1 S S102 1 0.333216 0.916504 0.610899 1 S S103 1 0.083333 0.291977 0.610548 1 S S104 1 0.166678 0.416847 0.611004 1 S S105 1 0.250131 0.541487 0.611116 1 S S106 1 0.333723 0.666481 0.610909 1 S S107 1 0.416919 0.791634 0.611089 1 S S108 1 0.500038 0.916534 0.610908 1 S S109 1 0.083333 0.042097 0.610944 1 S S110 1 0.166663 0.166900 0.610933 1 S S111 1 0.249988 0.291837 0.610633 1 S S112 1 0.333340 0.416754 0.610593 1 S S113 1 0.416751 0.541605 0.611011 1 S S114 1 0.500080 0.666579 0.610985 1 S S115 1 0.583333 0.791519 0.610657 1 S S116 1 0.666628 0.916534 0.610908 1 S S117 1 0.250156 0.041868 0.611085 1 S S118 1 0.333274 0.166688 0.610538 1 S S119 1 0.416592 0.291688 0.610696 1 S S120 1 0.500012 0.416611 0.610705 1 S S121 1 0.583333 0.541572 0.610691 1 S S122 1 0.666586 0.666578 0.610985 1 S S123 1 0.749748 0.791634 0.611089 1 S S124 1 0.833450 0.916504 0.610899 1 S S125 1 0.416617 0.041577 0.610927 1 S S126 1 0.500000 0.166544 0.610586 1 S S127 1 0.583333 0.291532 0.610521 1 S S128 1 0.666654 0.416611 0.610705 1 S S129 1 0.749915 0.541605 0.611011 1 S S130 1 0.832944 0.666481 0.610909 1 S S131 1 0.916559 0.790952 0.611940 1 S S132 1 0.000545 0.917170 0.612068 1 S S133 1 0.583333 0.041405 0.610407 1 S S134 1 0.666667 0.166544 0.610586 1 S S135 1 0.750075 0.291688 0.610696 1 S S136 1 0.833327 0.416754 0.610593 1 S S137 1 0.916536 0.541487 0.611116 1 S S138 1 -0.000840 0.666833 0.612183 1 S S139 1 0.750050 0.041577 0.610927 1 S S140 1 0.833393 0.166688 0.610538 1 S S141 1 0.916678 0.291837 0.610633 1 S S142 1 -0.000011 0.416847 0.611004 1 S S143 1 0.916510 0.041868 0.611084 1 S S144 1 0.000003 0.166900 0.610933 1