# 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 0.000000 0.749698 0.500000 1 W W2 1 0.091659 0.879753 0.500000 1 W W3 1 -0.000000 0.494787 0.500001 1 W W4 1 0.083758 0.615942 0.500000 1 W W5 1 0.175286 0.753979 0.500000 1 W W6 1 0.254383 0.877574 0.500001 1 W W7 1 0.000000 0.248933 0.500002 1 W W8 1 0.083843 0.372447 0.500000 1 W W9 1 0.168434 0.496402 0.500000 1 W W10 1 0.249873 0.624770 0.500001 1 W W11 1 0.336741 0.750325 0.500001 1 W W12 1 0.418100 0.876203 0.500001 1 W W13 1 0.000000 0.000075 0.500000 1 W W14 1 0.083652 0.125019 0.500000 1 W W15 1 0.167132 0.249262 0.500000 1 W W16 1 0.250937 0.373580 0.500000 1 W W17 1 0.333596 0.499538 0.500000 1 W W18 1 0.416889 0.624785 0.500000 1 W W19 1 0.500000 0.750135 0.500000 1 W W20 1 0.581900 0.876203 0.499999 1 W W21 1 0.169038 0.003029 0.500001 1 W W22 1 0.251132 0.126277 0.500001 1 W W23 1 0.333999 0.250250 0.500001 1 W W24 1 0.416906 0.375102 0.500000 1 W W25 1 0.500000 0.499789 0.500000 1 W W26 1 0.583111 0.624785 0.500000 1 W W27 1 0.663259 0.750325 0.499999 1 W W28 1 0.745617 0.877574 0.499999 1 W W29 1 0.335048 0.001849 0.500001 1 W W30 1 0.417192 0.126157 0.500001 1 W W31 1 0.500000 0.250703 0.500000 1 W W32 1 0.583094 0.375102 0.500000 1 W W33 1 0.666404 0.499538 0.500000 1 W W34 1 0.750127 0.624770 0.500000 1 W W35 1 0.824714 0.753979 0.500000 1 W W36 1 0.908341 0.879753 0.500000 1 W W37 1 0.500000 0.001391 0.500000 1 W W38 1 0.582808 0.126157 0.500000 1 W W39 1 0.666001 0.250250 0.499999 1 W W40 1 0.749062 0.373580 0.500001 1 W W41 1 0.831566 0.496402 0.500001 1 W W42 1 0.916242 0.615942 0.500000 1 W W43 1 0.664953 0.001849 0.499999 1 W W44 1 0.748868 0.126277 0.500000 1 W W45 1 0.832868 0.249262 0.500000 1 W W46 1 0.916157 0.372447 0.500000 1 W W47 1 0.830962 0.003029 0.500000 1 W W48 1 0.916348 0.125019 0.500000 1 S S49 1 0.099612 0.800013 0.385829 1 S S50 1 0.172452 0.921459 0.388357 1 S S51 1 0.084991 0.534431 0.388446 1 S S52 1 0.164967 0.667293 0.392092 1 S S53 1 0.257154 0.793915 0.388400 1 S S54 1 0.336202 0.918820 0.388581 1 S S55 1 0.083591 0.289938 0.388861 1 S S56 1 0.167663 0.413759 0.388878 1 S S57 1 0.250450 0.541137 0.389327 1 S S58 1 0.333595 0.666287 0.389347 1 S S59 1 0.418503 0.792515 0.388773 1 S S60 1 0.500000 0.918179 0.388677 1 S S61 1 0.083410 0.042062 0.389202 1 S S62 1 0.167046 0.166530 0.388965 1 S S63 1 0.250549 0.290826 0.388905 1 S S64 1 0.333670 0.416319 0.389085 1 S S65 1 0.416808 0.541412 0.389265 1 S S66 1 0.500000 0.666461 0.389122 1 S S67 1 0.581497 0.792515 0.388774 1 S S68 1 0.663799 0.918820 0.388582 1 S S69 1 0.252048 0.043836 0.388771 1 S S70 1 0.334176 0.167565 0.388793 1 S S71 1 0.416933 0.292134 0.388951 1 S S72 1 0.500000 0.416736 0.389014 1 S S73 1 0.583192 0.541412 0.389266 1 S S74 1 0.666405 0.666287 0.389347 1 S S75 1 0.742847 0.793915 0.388400 1 S S76 1 0.827548 0.921459 0.388357 1 S S77 1 0.417508 0.043255 0.388724 1 S S78 1 0.500000 0.167788 0.388861 1 S S79 1 0.583067 0.292134 0.388952 1 S S80 1 0.666330 0.416319 0.389085 1 S S81 1 0.749550 0.541137 0.389327 1 S S82 1 0.835033 0.667293 0.392092 1 S S83 1 0.900388 0.800013 0.385829 1 S S84 1 0.000000 0.915245 0.391996 1 S S85 1 0.582492 0.043255 0.388724 1 S S86 1 0.665824 0.167565 0.388794 1 S S87 1 0.749451 0.290826 0.388906 1 S S88 1 0.832337 0.413759 0.388878 1 S S89 1 0.915009 0.534431 0.388446 1 S S90 1 0.000000 0.649752 0.385901 1 S S91 1 0.747952 0.043836 0.388772 1 S S92 1 0.832954 0.166530 0.388965 1 S S93 1 0.916409 0.289938 0.388862 1 S S94 1 0.000000 0.412730 0.388696 1 S S95 1 0.916590 0.042062 0.389202 1 S S96 1 -0.000000 0.166116 0.389127 1 S S97 1 0.099612 0.800013 0.614171 1 S S98 1 0.172452 0.921459 0.611642 1 S S99 1 0.084991 0.534431 0.611553 1 S S100 1 0.164967 0.667293 0.607908 1 S S101 1 0.257153 0.793915 0.611600 1 S S102 1 0.336201 0.918820 0.611417 1 S S103 1 0.083591 0.289938 0.611138 1 S S104 1 0.167663 0.413759 0.611122 1 S S105 1 0.250450 0.541137 0.610673 1 S S106 1 0.333595 0.666287 0.610653 1 S S107 1 0.418503 0.792515 0.611226 1 S S108 1 0.500000 0.918179 0.611323 1 S S109 1 0.083410 0.042062 0.610798 1 S S110 1 0.167046 0.166530 0.611034 1 S S111 1 0.250550 0.290826 0.611094 1 S S112 1 0.333670 0.416319 0.610915 1 S S113 1 0.416808 0.541412 0.610734 1 S S114 1 0.500000 0.666461 0.610878 1 S S115 1 0.581497 0.792515 0.611227 1 S S116 1 0.663799 0.918820 0.611418 1 S S117 1 0.252048 0.043836 0.611228 1 S S118 1 0.334176 0.167565 0.611206 1 S S119 1 0.416933 0.292134 0.611048 1 S S120 1 0.500000 0.416736 0.610986 1 S S121 1 0.583192 0.541412 0.610735 1 S S122 1 0.666406 0.666287 0.610653 1 S S123 1 0.742847 0.793915 0.611601 1 S S124 1 0.827548 0.921459 0.611643 1 S S125 1 0.417508 0.043254 0.611275 1 S S126 1 0.500000 0.167788 0.611139 1 S S127 1 0.583067 0.292134 0.611049 1 S S128 1 0.666329 0.416319 0.610915 1 S S129 1 0.749550 0.541137 0.610673 1 S S130 1 0.835033 0.667293 0.607908 1 S S131 1 0.900388 0.800013 0.614171 1 S S132 1 0.000000 0.915245 0.608004 1 S S133 1 0.582492 0.043255 0.611276 1 S S134 1 0.665824 0.167565 0.611207 1 S S135 1 0.749451 0.290826 0.611095 1 S S136 1 0.832337 0.413759 0.611122 1 S S137 1 0.915009 0.534431 0.611553 1 S S138 1 -0.000000 0.649751 0.614099 1 S S139 1 0.747952 0.043836 0.611228 1 S S140 1 0.832954 0.166530 0.611035 1 S S141 1 0.916409 0.289938 0.611138 1 S S142 1 0.000000 0.412730 0.611304 1 S S143 1 0.916590 0.042062 0.610798 1 S S144 1 0.000000 0.166116 0.610873 1