# generated using pymatgen data_SrW48S95 _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 SrW48S95 _chemical_formula_sum 'Sr1 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 Sr Sr1 1 0.083333 0.792010 0.300399 1 W W2 1 0.003407 0.751732 0.513403 1 W W3 1 0.083333 0.871570 0.513422 1 W W4 1 0.000059 0.501068 0.500811 1 W W5 1 0.083333 0.627147 0.506145 1 W W6 1 0.163260 0.751732 0.513403 1 W W7 1 0.247979 0.873926 0.506101 1 W W8 1 0.000156 0.250178 0.498722 1 W W9 1 0.083333 0.375690 0.499392 1 W W10 1 0.166608 0.501068 0.500811 1 W W11 1 0.249317 0.626256 0.501638 1 W W12 1 0.331939 0.749942 0.501577 1 W W13 1 0.415938 0.874381 0.500795 1 W W14 1 0.000823 -0.001086 0.501872 1 W W15 1 0.083333 0.124783 0.499426 1 W W16 1 0.166511 0.250178 0.498722 1 W W17 1 0.249737 0.375528 0.498773 1 W W18 1 0.332977 0.500724 0.498754 1 W W19 1 0.416404 0.625258 0.498772 1 W W20 1 0.499577 0.749843 0.498844 1 W W21 1 0.583333 0.874516 0.499428 1 W W22 1 0.165843 -0.001086 0.501872 1 W W23 1 0.249446 0.124535 0.499318 1 W W24 1 0.332944 0.249950 0.498442 1 W W25 1 0.416400 0.375284 0.497992 1 W W26 1 0.499862 0.500293 0.497753 1 W W27 1 0.583333 0.625173 0.497900 1 W W28 1 0.667090 0.749843 0.498844 1 W W29 1 0.750728 0.874381 0.500795 1 W W30 1 0.332440 -0.000639 0.500998 1 W W31 1 0.416228 0.124514 0.499112 1 W W32 1 0.499802 0.249811 0.498213 1 W W33 1 0.583333 0.375106 0.497742 1 W W34 1 0.666804 0.500293 0.497753 1 W W35 1 0.750262 0.625258 0.498772 1 W W36 1 0.834727 0.749942 0.501577 1 W W37 1 0.918688 0.873926 0.506101 1 W W38 1 0.499640 -0.000674 0.499770 1 W W39 1 0.583333 0.124464 0.498900 1 W W40 1 0.666865 0.249811 0.498213 1 W W41 1 0.750267 0.375284 0.497992 1 W W42 1 0.833689 0.500724 0.498754 1 W W43 1 0.917349 0.626256 0.501638 1 W W44 1 0.667027 -0.000674 0.499770 1 W W45 1 0.750438 0.124514 0.499112 1 W W46 1 0.833723 0.249950 0.498442 1 W W47 1 0.916929 0.375528 0.498773 1 W W48 1 0.834227 -0.000639 0.500997 1 W W49 1 0.917220 0.124535 0.499318 1 S S50 1 0.163488 0.911560 0.395539 1 S S51 1 0.083333 0.544611 0.392207 1 S S52 1 0.163101 0.671708 0.395496 1 S S53 1 0.243266 0.791835 0.395483 1 S S54 1 0.330660 0.915175 0.392247 1 S S55 1 0.083333 0.292309 0.388334 1 S S56 1 0.166301 0.418083 0.389059 1 S S57 1 0.248849 0.543426 0.389645 1 S S58 1 0.331959 0.667423 0.389811 1 S S59 1 0.414782 0.791568 0.389616 1 S S60 1 0.499149 0.915912 0.389359 1 S S61 1 0.083333 0.040421 0.390231 1 S S62 1 0.166439 0.166330 0.388418 1 S S63 1 0.249612 0.292004 0.388050 1 S S64 1 0.332732 0.417364 0.387922 1 S S65 1 0.416031 0.542222 0.387609 1 S S66 1 0.499513 0.666963 0.387587 1 S S67 1 0.583333 0.791536 0.388324 1 S S68 1 0.667517 0.915912 0.389359 1 S S69 1 0.248897 0.040109 0.390038 1 S S70 1 0.332763 0.166043 0.388459 1 S S71 1 0.416267 0.291575 0.387796 1 S S72 1 0.499769 0.416856 0.387296 1 S S73 1 0.583333 0.541980 0.387079 1 S S74 1 0.667153 0.666963 0.387587 1 S S75 1 0.751885 0.791568 0.389616 1 S S76 1 0.836007 0.915175 0.392247 1 S S77 1 0.415695 0.040541 0.389450 1 S S78 1 0.499704 0.165921 0.388360 1 S S79 1 0.583333 0.291385 0.387697 1 S S80 1 0.666897 0.416856 0.387296 1 S S81 1 0.750635 0.542222 0.387609 1 S S82 1 0.834707 0.667423 0.389811 1 S S83 1 0.923401 0.791835 0.395483 1 S S84 1 0.003179 0.911560 0.395539 1 S S85 1 0.583333 0.040654 0.389052 1 S S86 1 0.666963 0.165921 0.388360 1 S S87 1 0.750400 0.291575 0.387796 1 S S88 1 0.833935 0.417364 0.387922 1 S S89 1 0.917818 0.543426 0.389645 1 S S90 1 0.003566 0.671708 0.395496 1 S S91 1 0.750971 0.040541 0.389450 1 S S92 1 0.833904 0.166043 0.388459 1 S S93 1 0.917055 0.292004 0.388050 1 S S94 1 0.000366 0.418083 0.389059 1 S S95 1 0.917769 0.040109 0.390038 1 S S96 1 0.000228 0.166330 0.388418 1 S S97 1 0.083333 0.791668 0.627704 1 S S98 1 0.166262 0.917670 0.618085 1 S S99 1 0.083333 0.541432 0.612981 1 S S100 1 0.167971 0.666501 0.618055 1 S S101 1 0.250951 0.790763 0.618001 1 S S102 1 0.333774 0.916606 0.612950 1 S S103 1 0.083333 0.291930 0.609447 1 S S104 1 0.166806 0.416934 0.610264 1 S S105 1 0.250531 0.542116 0.611036 1 S S106 1 0.333919 0.666464 0.611234 1 S S107 1 0.416789 0.790955 0.610992 1 S S108 1 0.500099 0.916062 0.610573 1 S S109 1 0.083333 0.042118 0.611575 1 S S110 1 0.166509 0.166893 0.609746 1 S S111 1 0.249867 0.291930 0.609118 1 S S112 1 0.333344 0.417074 0.608973 1 S S113 1 0.416838 0.541818 0.609063 1 S S114 1 0.500157 0.666490 0.609183 1 S S115 1 0.583333 0.791085 0.609571 1 S S116 1 0.666567 0.916062 0.610573 1 S S117 1 0.249416 0.041789 0.611315 1 S S118 1 0.332951 0.166649 0.609378 1 S S119 1 0.416469 0.291820 0.608553 1 S S120 1 0.499969 0.416898 0.608268 1 S S121 1 0.583333 0.541805 0.608346 1 S S122 1 0.666510 0.666490 0.609183 1 S S123 1 0.749878 0.790955 0.610992 1 S S124 1 0.832893 0.916606 0.612950 1 S S125 1 0.416484 0.041462 0.610466 1 S S126 1 0.499858 0.166505 0.609076 1 S S127 1 0.583333 0.291718 0.608371 1 S S128 1 0.666697 0.416898 0.608268 1 S S129 1 0.749829 0.541818 0.609063 1 S S130 1 0.832748 0.666464 0.611234 1 S S131 1 0.915716 0.790763 0.618001 1 S S132 1 0.000404 0.917670 0.618085 1 S S133 1 0.583333 0.041237 0.609872 1 S S134 1 0.666809 0.166505 0.609076 1 S S135 1 0.750197 0.291820 0.608553 1 S S136 1 0.833323 0.417074 0.608973 1 S S137 1 0.916136 0.542116 0.611036 1 S S138 1 -0.001304 0.666501 0.618055 1 S S139 1 0.750182 0.041462 0.610466 1 S S140 1 0.833716 0.166649 0.609378 1 S S141 1 0.916799 0.291930 0.609118 1 S S142 1 -0.000139 0.416934 0.610264 1 S S143 1 0.917251 0.041789 0.611315 1 S S144 1 0.000158 0.166893 0.609746 1