# generated using pymatgen data_SrW47S96 _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 SrW47S96 _chemical_formula_sum 'Sr1 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 Sr Sr1 1 0.000015 0.748259 0.500000 1 W W2 1 0.089429 0.879701 0.500000 1 W W3 1 -0.000001 0.494422 0.500000 1 W W4 1 0.083819 0.615485 0.500000 1 W W5 1 0.174300 0.754482 0.500000 1 W W6 1 0.254241 0.877576 0.499999 1 W W7 1 -0.000001 0.248756 0.500000 1 W W8 1 0.083867 0.372219 0.500000 1 W W9 1 0.168332 0.496146 0.500000 1 W W10 1 0.249709 0.625052 0.500000 1 W W11 1 0.336615 0.750616 0.500000 1 W W12 1 0.417998 0.876415 0.500000 1 W W13 1 -0.000001 0.000492 0.500000 1 W W14 1 0.083644 0.125065 0.499999 1 W W15 1 0.167220 0.249169 0.500000 1 W W16 1 0.250951 0.373516 0.500000 1 W W17 1 0.333554 0.499646 0.500000 1 W W18 1 0.416732 0.624989 0.500000 1 W W19 1 0.500001 0.750459 0.500000 1 W W20 1 0.582006 0.876413 0.500000 1 W W21 1 0.169305 0.003043 0.499999 1 W W22 1 0.251238 0.126142 0.499999 1 W W23 1 0.334021 0.250216 0.499999 1 W W24 1 0.416885 0.375180 0.500000 1 W W25 1 0.499998 0.499998 0.500000 1 W W26 1 0.583264 0.624988 0.500000 1 W W27 1 0.663386 0.750614 0.500000 1 W W28 1 0.745765 0.877571 0.500000 1 W W29 1 0.335010 0.001882 0.499999 1 W W30 1 0.417229 0.126206 0.499999 1 W W31 1 0.500000 0.250764 0.500000 1 W W32 1 0.583114 0.375179 0.500000 1 W W33 1 0.666440 0.499645 0.500000 1 W W34 1 0.750284 0.625048 0.500000 1 W W35 1 0.825715 0.754467 0.500000 1 W W36 1 0.910577 0.879691 0.500000 1 W W37 1 0.500001 0.001488 0.499999 1 W W38 1 0.582772 0.126205 0.499999 1 W W39 1 0.665978 0.250214 0.500000 1 W W40 1 0.749047 0.373515 0.500000 1 W W41 1 0.831664 0.496143 0.500000 1 W W42 1 0.916167 0.615492 0.500000 1 W W43 1 0.664992 0.001878 0.500000 1 W W44 1 0.748763 0.126139 0.500000 1 W W45 1 0.832779 0.249167 0.500000 1 W W46 1 0.916130 0.372219 0.500000 1 W W47 1 0.830697 0.003037 0.500000 1 W W48 1 0.916355 0.125064 0.500000 1 S S49 1 0.098483 0.799648 0.386220 1 S S50 1 0.171634 0.921125 0.388973 1 S S51 1 0.084933 0.534079 0.388361 1 S S52 1 0.164539 0.667266 0.392383 1 S S53 1 0.256746 0.794038 0.388481 1 S S54 1 0.335995 0.918876 0.388565 1 S S55 1 0.083616 0.289752 0.388882 1 S S56 1 0.167661 0.413597 0.388871 1 S S57 1 0.250296 0.541289 0.389487 1 S S58 1 0.333434 0.666588 0.389373 1 S S59 1 0.418390 0.792746 0.388803 1 S S60 1 0.500002 0.918300 0.388696 1 S S61 1 0.083712 0.042192 0.389268 1 S S62 1 0.167132 0.166445 0.389020 1 S S63 1 0.250581 0.290770 0.388915 1 S S64 1 0.333634 0.416414 0.389128 1 S S65 1 0.416732 0.541602 0.389317 1 S S66 1 0.499999 0.666688 0.389278 1 S S67 1 0.581613 0.792745 0.388802 1 S S68 1 0.664010 0.918872 0.388565 1 S S69 1 0.252099 0.043734 0.388646 1 S S70 1 0.334200 0.167533 0.388804 1 S S71 1 0.416920 0.292190 0.388995 1 S S72 1 0.499999 0.416878 0.389104 1 S S73 1 0.583264 0.541601 0.389316 1 S S74 1 0.666560 0.666587 0.389372 1 S S75 1 0.743264 0.794031 0.388486 1 S S76 1 0.828372 0.921118 0.388973 1 S S77 1 0.417503 0.043294 0.388749 1 S S78 1 0.500000 0.167852 0.388870 1 S S79 1 0.583079 0.292189 0.388994 1 S S80 1 0.666364 0.416413 0.389128 1 S S81 1 0.749699 0.541285 0.389487 1 S S82 1 0.835448 0.667258 0.392376 1 S S83 1 0.901532 0.799636 0.386226 1 S S84 1 0.000003 0.916658 0.391236 1 S S85 1 0.582499 0.043293 0.388749 1 S S86 1 0.665801 0.167531 0.388804 1 S S87 1 0.749418 0.290768 0.388915 1 S S88 1 0.832336 0.413596 0.388869 1 S S89 1 0.915061 0.534081 0.388365 1 S S90 1 -0.000003 0.648843 0.385416 1 S S91 1 0.747902 0.043729 0.388645 1 S S92 1 0.832868 0.166443 0.389020 1 S S93 1 0.916382 0.289751 0.388881 1 S S94 1 -0.000002 0.412443 0.388697 1 S S95 1 0.916287 0.042190 0.389267 1 S S96 1 -0.000001 0.166021 0.389058 1 S S97 1 0.098483 0.799648 0.613780 1 S S98 1 0.171634 0.921125 0.611028 1 S S99 1 0.084933 0.534079 0.611639 1 S S100 1 0.164538 0.667266 0.607617 1 S S101 1 0.256746 0.794038 0.611520 1 S S102 1 0.335995 0.918876 0.611436 1 S S103 1 0.083616 0.289752 0.611119 1 S S104 1 0.167661 0.413597 0.611129 1 S S105 1 0.250296 0.541289 0.610513 1 S S106 1 0.333434 0.666588 0.610627 1 S S107 1 0.418390 0.792746 0.611198 1 S S108 1 0.500002 0.918300 0.611304 1 S S109 1 0.083712 0.042192 0.610732 1 S S110 1 0.167132 0.166445 0.610981 1 S S111 1 0.250581 0.290770 0.611086 1 S S112 1 0.333634 0.416414 0.610872 1 S S113 1 0.416732 0.541602 0.610683 1 S S114 1 0.499999 0.666688 0.610722 1 S S115 1 0.581613 0.792745 0.611198 1 S S116 1 0.664010 0.918872 0.611435 1 S S117 1 0.252099 0.043734 0.611355 1 S S118 1 0.334200 0.167533 0.611197 1 S S119 1 0.416920 0.292190 0.611006 1 S S120 1 0.499999 0.416878 0.610896 1 S S121 1 0.583264 0.541601 0.610683 1 S S122 1 0.666560 0.666587 0.610628 1 S S123 1 0.743264 0.794031 0.611514 1 S S124 1 0.828372 0.921118 0.611027 1 S S125 1 0.417503 0.043294 0.611252 1 S S126 1 0.500000 0.167852 0.611130 1 S S127 1 0.583079 0.292189 0.611006 1 S S128 1 0.666364 0.416413 0.610872 1 S S129 1 0.749699 0.541285 0.610513 1 S S130 1 0.835448 0.667258 0.607624 1 S S131 1 0.901533 0.799636 0.613774 1 S S132 1 0.000003 0.916657 0.608764 1 S S133 1 0.582500 0.043293 0.611251 1 S S134 1 0.665801 0.167531 0.611196 1 S S135 1 0.749418 0.290768 0.611085 1 S S136 1 0.832336 0.413596 0.611131 1 S S137 1 0.915061 0.534081 0.611635 1 S S138 1 -0.000003 0.648843 0.614584 1 S S139 1 0.747902 0.043729 0.611356 1 S S140 1 0.832868 0.166443 0.610980 1 S S141 1 0.916382 0.289751 0.611119 1 S S142 1 -0.000002 0.412443 0.611303 1 S S143 1 0.916287 0.042190 0.610733 1 S S144 1 -0.000001 0.166021 0.610942 1