# generated using pymatgen data_RuW48S95 _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 RuW48S95 _chemical_formula_sum 'Ru1 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 Ru Ru1 1 0.083333 0.791774 0.375310 1 W W2 1 0.001166 0.750561 0.507315 1 W W3 1 0.083333 0.873904 0.507412 1 W W4 1 -0.000120 0.500097 0.500331 1 W W5 1 0.083333 0.625066 0.503754 1 W W6 1 0.165500 0.750561 0.507314 1 W W7 1 0.249923 0.874948 0.503612 1 W W8 1 0.000041 0.250034 0.499068 1 W W9 1 0.083333 0.375100 0.499402 1 W W10 1 0.166787 0.500097 0.500331 1 W W11 1 0.249707 0.625331 0.501126 1 W W12 1 0.332843 0.750042 0.500995 1 W W13 1 0.416666 0.874784 0.500165 1 W W14 1 0.000185 -0.000356 0.501401 1 W W15 1 0.083333 0.124921 0.499772 1 W W16 1 0.166625 0.250034 0.499068 1 W W17 1 0.249972 0.375062 0.498961 1 W W18 1 0.333241 0.500164 0.499061 1 W W19 1 0.416529 0.625075 0.499258 1 W W20 1 0.499875 0.749903 0.499127 1 W W21 1 0.583334 0.874829 0.499260 1 W W22 1 0.166482 -0.000356 0.501402 1 W W23 1 0.249862 0.124913 0.499438 1 W W24 1 0.333247 0.250012 0.498626 1 W W25 1 0.416604 0.375102 0.498276 1 W W26 1 0.499969 0.500089 0.498346 1 W W27 1 0.583333 0.625029 0.498624 1 W W28 1 0.666791 0.749904 0.499126 1 W W29 1 0.750001 0.874784 0.500164 1 W W30 1 0.333177 0.000011 0.500357 1 W W31 1 0.416581 0.124967 0.498946 1 W W32 1 0.499976 0.250018 0.498173 1 W W33 1 0.583333 0.375092 0.497990 1 W W34 1 0.666698 0.500089 0.498346 1 W W35 1 0.750138 0.625076 0.499257 1 W W36 1 0.833823 0.750042 0.500994 1 W W37 1 0.916744 0.874948 0.503612 1 W W38 1 0.499939 -0.000140 0.499332 1 W W39 1 0.583333 0.124929 0.498639 1 W W40 1 0.666691 0.250018 0.498174 1 W W41 1 0.750063 0.375102 0.498276 1 W W42 1 0.833426 0.500165 0.499060 1 W W43 1 0.916960 0.625331 0.501125 1 W W44 1 0.666728 -0.000140 0.499332 1 W W45 1 0.750086 0.124967 0.498946 1 W W46 1 0.833419 0.250012 0.498625 1 W W47 1 0.916695 0.375062 0.498961 1 W W48 1 0.833490 0.000011 0.500356 1 W W49 1 0.916804 0.124913 0.499438 1 S S50 1 0.165584 0.914088 0.392935 1 S S51 1 0.083333 0.542555 0.390914 1 S S52 1 0.164484 0.668771 0.392890 1 S S53 1 0.246700 0.792223 0.392753 1 S S54 1 0.332452 0.916219 0.390798 1 S S55 1 0.083333 0.291829 0.388406 1 S S56 1 0.166512 0.417109 0.388782 1 S S57 1 0.249435 0.542469 0.389348 1 S S58 1 0.332502 0.667052 0.389613 1 S S59 1 0.415702 0.791584 0.389237 1 S S60 1 0.499689 0.916400 0.388784 1 S S61 1 0.083333 0.040959 0.390060 1 S S62 1 0.166511 0.166442 0.388638 1 S S63 1 0.249776 0.291723 0.388091 1 S S64 1 0.332998 0.416954 0.387979 1 S S65 1 0.416316 0.541955 0.388083 1 S S66 1 0.499704 0.666752 0.388144 1 S S67 1 0.583333 0.791589 0.388361 1 S S68 1 0.666978 0.916401 0.388784 1 S S69 1 0.249399 0.040954 0.389607 1 S S70 1 0.333028 0.166404 0.388250 1 S S71 1 0.416441 0.291659 0.387602 1 S S72 1 0.499859 0.416830 0.387406 1 S S73 1 0.583334 0.541850 0.387616 1 S S74 1 0.666963 0.666752 0.388144 1 S S75 1 0.750965 0.791584 0.389238 1 S S76 1 0.834215 0.916219 0.390797 1 S S77 1 0.416262 0.041291 0.388796 1 S S78 1 0.499853 0.166407 0.387832 1 S S79 1 0.583334 0.291653 0.387327 1 S S80 1 0.666808 0.416831 0.387407 1 S S81 1 0.750350 0.541955 0.388084 1 S S82 1 0.834165 0.667053 0.389612 1 S S83 1 0.919967 0.792223 0.392753 1 S S84 1 0.001082 0.914088 0.392935 1 S S85 1 0.583333 0.041303 0.388399 1 S S86 1 0.666814 0.166407 0.387833 1 S S87 1 0.750226 0.291659 0.387602 1 S S88 1 0.833669 0.416954 0.387979 1 S S89 1 0.917232 0.542469 0.389348 1 S S90 1 0.002183 0.668771 0.392890 1 S S91 1 0.750404 0.041291 0.388796 1 S S92 1 0.833639 0.166403 0.388250 1 S S93 1 0.916891 0.291723 0.388091 1 S S94 1 0.000155 0.417109 0.388782 1 S S95 1 0.917268 0.040954 0.389607 1 S S96 1 0.000156 0.166442 0.388638 1 S S97 1 0.083333 0.791659 0.619599 1 S S98 1 0.167477 0.917486 0.614950 1 S S99 1 0.083333 0.540493 0.612053 1 S S100 1 0.167195 0.665658 0.614892 1 S S101 1 0.251266 0.791763 0.614768 1 S S102 1 0.334530 0.917140 0.611929 1 S S103 1 0.083333 0.291639 0.609921 1 S S104 1 0.166875 0.416335 0.610319 1 S S105 1 0.250485 0.541431 0.610876 1 S S106 1 0.333771 0.666489 0.611058 1 S S107 1 0.417109 0.791377 0.610750 1 S S108 1 0.500337 0.916605 0.610284 1 S S109 1 0.083333 0.042064 0.611464 1 S S110 1 0.166724 0.166878 0.610172 1 S S111 1 0.250113 0.291682 0.609603 1 S S112 1 0.333529 0.416612 0.609454 1 S S113 1 0.416880 0.541534 0.609611 1 S S114 1 0.500169 0.666530 0.609728 1 S S115 1 0.583333 0.791435 0.609827 1 S S116 1 0.666331 0.916605 0.610285 1 S S117 1 0.250079 0.042096 0.611092 1 S S118 1 0.333400 0.166859 0.609697 1 S S119 1 0.416768 0.291754 0.609017 1 S S120 1 0.500069 0.416668 0.608901 1 S S121 1 0.583333 0.541606 0.609153 1 S S122 1 0.666498 0.666530 0.609729 1 S S123 1 0.749556 0.791377 0.610750 1 S S124 1 0.832137 0.917140 0.611929 1 S S125 1 0.416957 0.041951 0.610255 1 S S126 1 0.500070 0.166851 0.609246 1 S S127 1 0.583333 0.291776 0.608793 1 S S128 1 0.666598 0.416668 0.608901 1 S S129 1 0.749787 0.541534 0.609612 1 S S130 1 0.832896 0.666490 0.611058 1 S S131 1 0.915400 0.791763 0.614768 1 S S132 1 -0.000810 0.917486 0.614951 1 S S133 1 0.583333 0.041766 0.609776 1 S S134 1 0.666597 0.166851 0.609246 1 S S135 1 0.749898 0.291754 0.609018 1 S S136 1 0.833138 0.416612 0.609454 1 S S137 1 0.916182 0.541431 0.610875 1 S S138 1 -0.000528 0.665658 0.614892 1 S S139 1 0.749709 0.041951 0.610255 1 S S140 1 0.833267 0.166859 0.609697 1 S S141 1 0.916554 0.291682 0.609603 1 S S142 1 -0.000208 0.416335 0.610319 1 S S143 1 0.916588 0.042096 0.611092 1 S S144 1 -0.000057 0.166878 0.610172 1