# generated using pymatgen data_W48S95 _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 W48S95 _chemical_formula_sum '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 W W1 1 0.003566 0.751786 0.507573 1 W W2 1 0.083333 0.871460 0.507607 1 W W3 1 0.000222 0.500701 0.500175 1 W W4 1 0.083333 0.626823 0.503918 1 W W5 1 0.163101 0.751786 0.507574 1 W W6 1 0.248193 0.874094 0.503607 1 W W7 1 0.000084 0.249915 0.498633 1 W W8 1 0.083333 0.375262 0.498991 1 W W9 1 0.166445 0.500700 0.500176 1 W W10 1 0.249232 0.625950 0.500809 1 W W11 1 0.332070 0.750132 0.500418 1 W W12 1 0.415984 0.874763 0.499772 1 W W13 1 0.000539 -0.001015 0.501042 1 W W14 1 0.083333 0.124495 0.499161 1 W W15 1 0.166582 0.249915 0.498633 1 W W16 1 0.249795 0.375202 0.498827 1 W W17 1 0.332950 0.500507 0.498857 1 W W18 1 0.416209 0.625305 0.498526 1 W W19 1 0.499610 0.750049 0.498324 1 W W20 1 0.583333 0.874905 0.498786 1 W W21 1 0.166128 -0.001015 0.501042 1 W W22 1 0.249641 0.124513 0.499250 1 W W23 1 0.333130 0.249884 0.498847 1 W W24 1 0.416463 0.375147 0.498584 1 W W25 1 0.499863 0.500187 0.498183 1 W W26 1 0.583333 0.625189 0.497909 1 W W27 1 0.667057 0.750049 0.498324 1 W W28 1 0.750683 0.874763 0.499772 1 W W29 1 0.332746 -0.000530 0.500274 1 W W30 1 0.416451 0.124755 0.499309 1 W W31 1 0.499888 0.249934 0.498865 1 W W32 1 0.583333 0.375107 0.498432 1 W W33 1 0.666804 0.500187 0.498184 1 W W34 1 0.750458 0.625306 0.498526 1 W W35 1 0.834596 0.750132 0.500417 1 W W36 1 0.918474 0.874094 0.503606 1 W W37 1 0.499790 -0.000232 0.499408 1 W W38 1 0.583333 0.124806 0.499209 1 W W39 1 0.666779 0.249934 0.498865 1 W W40 1 0.750204 0.375147 0.498584 1 W W41 1 0.833716 0.500506 0.498856 1 W W42 1 0.917435 0.625949 0.500808 1 W W43 1 0.666877 -0.000232 0.499408 1 W W44 1 0.750216 0.124755 0.499309 1 W W45 1 0.833536 0.249884 0.498846 1 W W46 1 0.916872 0.375202 0.498826 1 W W47 1 0.833920 -0.000530 0.500273 1 W W48 1 0.917026 0.124513 0.499250 1 S S49 1 0.163905 0.912668 0.393459 1 S S50 1 0.083333 0.543956 0.390966 1 S S51 1 0.163860 0.670734 0.393504 1 S S52 1 0.244408 0.791703 0.393238 1 S S53 1 0.331080 0.915626 0.390718 1 S S54 1 0.083333 0.291839 0.388029 1 S S55 1 0.166453 0.417536 0.388673 1 S S56 1 0.248978 0.542988 0.389269 1 S S57 1 0.331859 0.667319 0.389111 1 S S58 1 0.414991 0.791745 0.388782 1 S S59 1 0.499334 0.916478 0.388689 1 S S60 1 0.083334 0.040314 0.389605 1 S S61 1 0.166559 0.166185 0.388273 1 S S62 1 0.249880 0.291732 0.388098 1 S S63 1 0.332956 0.417050 0.388133 1 S S64 1 0.416129 0.541967 0.387802 1 S S65 1 0.499550 0.666867 0.387503 1 S S66 1 0.583333 0.791785 0.387812 1 S S67 1 0.667333 0.916478 0.388690 1 S S68 1 0.249158 0.040353 0.389501 1 S S69 1 0.333041 0.166216 0.388539 1 S S70 1 0.416473 0.291576 0.388156 1 S S71 1 0.499819 0.416684 0.387754 1 S S72 1 0.583333 0.541752 0.387423 1 S S73 1 0.667116 0.666867 0.387503 1 S S74 1 0.751676 0.791745 0.388782 1 S S75 1 0.835586 0.915626 0.390718 1 S S76 1 0.415996 0.041120 0.389078 1 S S77 1 0.499851 0.166345 0.388524 1 S S78 1 0.583333 0.291502 0.388117 1 S S79 1 0.666847 0.416684 0.387754 1 S S80 1 0.750538 0.541967 0.387802 1 S S81 1 0.834807 0.667320 0.389111 1 S S82 1 0.922259 0.791703 0.393237 1 S S83 1 0.002762 0.912667 0.393458 1 S S84 1 0.583333 0.041359 0.388705 1 S S85 1 0.666817 0.166345 0.388524 1 S S86 1 0.750193 0.291576 0.388155 1 S S87 1 0.833710 0.417050 0.388132 1 S S88 1 0.917689 0.542988 0.389269 1 S S89 1 0.002807 0.670733 0.393504 1 S S90 1 0.750671 0.041120 0.389078 1 S S91 1 0.833626 0.166216 0.388538 1 S S92 1 0.916786 0.291732 0.388097 1 S S93 1 0.000213 0.417536 0.388673 1 S S94 1 0.917509 0.040354 0.389501 1 S S95 1 0.000108 0.166185 0.388272 1 S S96 1 0.083333 0.791678 0.621804 1 S S97 1 0.165560 0.916722 0.614908 1 S S98 1 0.083333 0.541675 0.611930 1 S S99 1 0.167427 0.667522 0.614939 1 S S100 1 0.249677 0.790701 0.614629 1 S S101 1 0.333401 0.916490 0.611630 1 S S102 1 0.083333 0.291650 0.609314 1 S S103 1 0.166636 0.416706 0.609886 1 S S104 1 0.250130 0.541999 0.610512 1 S S105 1 0.333576 0.666701 0.610373 1 S S106 1 0.416598 0.791336 0.609929 1 S S107 1 0.500008 0.916349 0.609810 1 S S108 1 0.083333 0.041747 0.610947 1 S S109 1 0.166497 0.166655 0.609583 1 S S110 1 0.249800 0.291693 0.609358 1 S S111 1 0.333216 0.416920 0.609302 1 S S112 1 0.416698 0.541910 0.609088 1 S S113 1 0.500039 0.666692 0.608771 1 S S114 1 0.583333 0.791407 0.608910 1 S S115 1 0.666659 0.916349 0.609810 1 S S116 1 0.249647 0.041537 0.610753 1 S S117 1 0.333025 0.166566 0.609714 1 S S118 1 0.416499 0.291767 0.609376 1 S S119 1 0.499956 0.416899 0.609007 1 S S120 1 0.583333 0.541878 0.608669 1 S S121 1 0.666627 0.666692 0.608771 1 S S122 1 0.750069 0.791335 0.609929 1 S S123 1 0.833265 0.916489 0.611629 1 S S124 1 0.416552 0.041504 0.610236 1 S S125 1 0.499921 0.166640 0.609742 1 S S126 1 0.583333 0.291800 0.609296 1 S S127 1 0.666711 0.416899 0.609008 1 S S128 1 0.749969 0.541910 0.609088 1 S S129 1 0.833090 0.666701 0.610372 1 S S130 1 0.916990 0.790701 0.614629 1 S S131 1 0.001107 0.916723 0.614907 1 S S132 1 0.583333 0.041479 0.609945 1 S S133 1 0.666746 0.166640 0.609742 1 S S134 1 0.750168 0.291767 0.609376 1 S S135 1 0.833451 0.416920 0.609302 1 S S136 1 0.916536 0.541999 0.610511 1 S S137 1 -0.000761 0.667521 0.614939 1 S S138 1 0.750116 0.041504 0.610236 1 S S139 1 0.833642 0.166567 0.609714 1 S S140 1 0.916867 0.291693 0.609357 1 S S141 1 0.000030 0.416706 0.609886 1 S S142 1 0.917020 0.041537 0.610752 1 S S143 1 0.000170 0.166655 0.609583 1