# generated using pymatgen data_W49S95 _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 W49S95 _chemical_formula_sum 'W49 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 0.001402 0.750712 0.511298 1 W W2 1 0.083333 0.873742 0.511663 1 W W3 1 -0.000157 0.499950 0.500207 1 W W4 1 0.083333 0.624095 0.505091 1 W W5 1 0.165265 0.750712 0.511298 1 W W6 1 0.250959 0.875409 0.504976 1 W W7 1 0.000099 0.249892 0.498417 1 W W8 1 0.083333 0.375076 0.498813 1 W W9 1 0.166823 0.499950 0.500207 1 W W10 1 0.249454 0.625414 0.501937 1 W W11 1 0.332734 0.750216 0.501794 1 W W12 1 0.416906 0.874777 0.499935 1 W W13 1 0.000086 -0.000640 0.502088 1 W W14 1 0.083333 0.124522 0.499619 1 W W15 1 0.166568 0.249891 0.498417 1 W W16 1 0.249983 0.375100 0.498226 1 W W17 1 0.333240 0.500393 0.498611 1 W W18 1 0.416283 0.625303 0.499096 1 W W19 1 0.499866 0.749855 0.498628 1 W W20 1 0.583333 0.874680 0.498479 1 W W21 1 0.166581 -0.000640 0.502088 1 W W22 1 0.249732 0.124769 0.498838 1 W W23 1 0.333179 0.249948 0.497675 1 W W24 1 0.416552 0.375236 0.497414 1 W W25 1 0.499926 0.500350 0.497668 1 W W26 1 0.583333 0.625182 0.498070 1 W W27 1 0.666800 0.749855 0.498628 1 W W28 1 0.749761 0.874777 0.499935 1 W W29 1 0.333369 0.000062 0.500004 1 W W30 1 0.416536 0.124898 0.497974 1 W W31 1 0.499909 0.250020 0.497202 1 W W32 1 0.583333 0.375287 0.497111 1 W W33 1 0.666740 0.500350 0.497668 1 W W34 1 0.750384 0.625303 0.499096 1 W W35 1 0.833933 0.750217 0.501793 1 W W36 1 0.915708 0.875409 0.504977 1 W W37 1 0.499958 -0.000264 0.498458 1 W W38 1 0.583333 0.124804 0.497607 1 W W39 1 0.666758 0.250019 0.497202 1 W W40 1 0.750115 0.375236 0.497414 1 W W41 1 0.833426 0.500393 0.498611 1 W W42 1 0.917213 0.625414 0.501937 1 W W43 1 0.666709 -0.000264 0.498458 1 W W44 1 0.750131 0.124898 0.497974 1 W W45 1 0.833487 0.249948 0.497676 1 W W46 1 0.916684 0.375100 0.498226 1 W W47 1 0.833297 0.000062 0.500003 1 W W48 1 0.916935 0.124769 0.498838 1 W W49 1 0.083333 0.792040 0.387659 1 S S50 1 0.165839 0.913464 0.394077 1 S S51 1 0.083333 0.542424 0.391014 1 S S52 1 0.163874 0.668853 0.394055 1 S S53 1 0.246390 0.792640 0.393877 1 S S54 1 0.332606 0.916186 0.390790 1 S S55 1 0.083333 0.291766 0.387887 1 S S56 1 0.166474 0.417255 0.388282 1 S S57 1 0.249199 0.542919 0.389434 1 S S58 1 0.331877 0.667402 0.390021 1 S S59 1 0.415288 0.791484 0.389208 1 S S60 1 0.499612 0.916161 0.388014 1 S S61 1 0.083333 0.040242 0.390384 1 S S62 1 0.166263 0.166064 0.388244 1 S S63 1 0.249609 0.291707 0.387462 1 S S64 1 0.332908 0.417280 0.387425 1 S S65 1 0.416083 0.542384 0.387686 1 S S66 1 0.499434 0.666800 0.387707 1 S S67 1 0.583333 0.791386 0.387660 1 S S68 1 0.667055 0.916161 0.388015 1 S S69 1 0.249112 0.040503 0.389511 1 S S70 1 0.332783 0.166188 0.387522 1 S S71 1 0.416343 0.291738 0.386904 1 S S72 1 0.499798 0.417129 0.386838 1 S S73 1 0.583333 0.542128 0.387061 1 S S74 1 0.667233 0.666800 0.387707 1 S S75 1 0.751379 0.791484 0.389208 1 S S76 1 0.834060 0.916186 0.390790 1 S S77 1 0.416183 0.041112 0.387999 1 S S78 1 0.499804 0.166333 0.387044 1 S S79 1 0.583333 0.291743 0.386757 1 S S80 1 0.666869 0.417129 0.386838 1 S S81 1 0.750584 0.542384 0.387686 1 S S82 1 0.834790 0.667402 0.390021 1 S S83 1 0.920276 0.792640 0.393877 1 S S84 1 0.000828 0.913464 0.394077 1 S S85 1 0.583333 0.041093 0.387493 1 S S86 1 0.666863 0.166332 0.387044 1 S S87 1 0.750324 0.291738 0.386904 1 S S88 1 0.833759 0.417280 0.387425 1 S S89 1 0.917468 0.542919 0.389434 1 S S90 1 0.002793 0.668853 0.394055 1 S S91 1 0.750484 0.041112 0.387999 1 S S92 1 0.833883 0.166188 0.387522 1 S S93 1 0.917057 0.291707 0.387463 1 S S94 1 0.000192 0.417255 0.388282 1 S S95 1 0.917555 0.040503 0.389511 1 S S96 1 0.000404 0.166064 0.388244 1 S S97 1 0.083333 0.791660 0.627480 1 S S98 1 0.169659 0.917977 0.616969 1 S S99 1 0.083333 0.539402 0.612538 1 S S100 1 0.166608 0.663889 0.616846 1 S S101 1 0.252834 0.793074 0.616716 1 S S102 1 0.335729 0.917706 0.612295 1 S S103 1 0.083333 0.291543 0.609144 1 S S104 1 0.166957 0.416082 0.609786 1 S S105 1 0.250573 0.541200 0.610920 1 S S106 1 0.333723 0.666553 0.611616 1 S S107 1 0.417548 0.791418 0.610767 1 S S108 1 0.500663 0.916602 0.609693 1 S S109 1 0.083333 0.041863 0.611940 1 S S110 1 0.166715 0.166733 0.609635 1 S S111 1 0.250133 0.291614 0.608608 1 S S112 1 0.333540 0.416687 0.608620 1 S S113 1 0.416863 0.541721 0.609144 1 S S114 1 0.500178 0.666605 0.609310 1 S S115 1 0.583333 0.791405 0.609255 1 S S116 1 0.666003 0.916602 0.609693 1 S S117 1 0.250376 0.042231 0.610954 1 S S118 1 0.333396 0.166788 0.608691 1 S S119 1 0.416687 0.291781 0.607828 1 S S120 1 0.500031 0.416837 0.607858 1 S S121 1 0.583333 0.541772 0.608422 1 S S122 1 0.666489 0.666605 0.609310 1 S S123 1 0.749119 0.791418 0.610767 1 S S124 1 0.830937 0.917706 0.612295 1 S S125 1 0.417238 0.042048 0.609485 1 S S126 1 0.500068 0.166785 0.608028 1 S S127 1 0.583333 0.291820 0.607497 1 S S128 1 0.666636 0.416837 0.607859 1 S S129 1 0.749804 0.541722 0.609144 1 S S130 1 0.832944 0.666553 0.611616 1 S S131 1 0.913833 0.793074 0.616716 1 S S132 1 -0.002992 0.917977 0.616969 1 S S133 1 0.583333 0.041691 0.608724 1 S S134 1 0.666598 0.166785 0.608028 1 S S135 1 0.749980 0.291781 0.607828 1 S S136 1 0.833127 0.416687 0.608620 1 S S137 1 0.916093 0.541199 0.610920 1 S S138 1 0.000059 0.663888 0.616846 1 S S139 1 0.749429 0.042048 0.609485 1 S S140 1 0.833271 0.166788 0.608691 1 S S141 1 0.916534 0.291614 0.608609 1 S S142 1 -0.000290 0.416082 0.609786 1 S S143 1 0.916291 0.042231 0.610954 1 S S144 1 -0.000048 0.166733 0.609635 1