# 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 0.083334 0.791642 0.372897 1 W W2 1 0.001443 0.750757 0.506927 1 W W3 1 0.083333 0.873537 0.506917 1 W W4 1 -0.000012 0.500276 0.500226 1 W W5 1 0.083333 0.625336 0.503403 1 W W6 1 0.165224 0.750757 0.506928 1 W W7 1 0.249702 0.874845 0.503258 1 W W8 1 0.000038 0.249948 0.498955 1 W W9 1 0.083333 0.375155 0.499323 1 W W10 1 0.166679 0.500276 0.500226 1 W W11 1 0.249605 0.625473 0.500890 1 W W12 1 0.332736 0.750104 0.500690 1 W W13 1 0.416541 0.874813 0.499960 1 W W14 1 0.000214 -0.000539 0.500945 1 W W15 1 0.083333 0.124580 0.499356 1 W W16 1 0.166629 0.249948 0.498955 1 W W17 1 0.249933 0.375105 0.499147 1 W W18 1 0.333184 0.500382 0.499179 1 W W19 1 0.416308 0.625236 0.499024 1 W W20 1 0.499811 0.749936 0.498700 1 W W21 1 0.583333 0.874835 0.498963 1 W W22 1 0.166452 -0.000539 0.500944 1 W W23 1 0.249727 0.124717 0.499274 1 W W24 1 0.333219 0.249928 0.499064 1 W W25 1 0.416532 0.375161 0.499001 1 W W26 1 0.499962 0.500187 0.498712 1 W W27 1 0.583333 0.625165 0.498436 1 W W28 1 0.666855 0.749936 0.498700 1 W W29 1 0.750126 0.874813 0.499960 1 W W30 1 0.333095 -0.000169 0.500210 1 W W31 1 0.416564 0.124883 0.499343 1 W W32 1 0.499920 0.249975 0.499238 1 W W33 1 0.583333 0.375168 0.498997 1 W W34 1 0.666705 0.500187 0.498713 1 W W35 1 0.750359 0.625236 0.499024 1 W W36 1 0.833931 0.750104 0.500690 1 W W37 1 0.916964 0.874844 0.503257 1 W W38 1 0.499869 -0.000191 0.499436 1 W W39 1 0.583333 0.124853 0.499348 1 W W40 1 0.666746 0.249975 0.499238 1 W W41 1 0.750134 0.375161 0.499001 1 W W42 1 0.833482 0.500382 0.499179 1 W W43 1 0.917062 0.625473 0.500889 1 W W44 1 0.666798 -0.000191 0.499436 1 W W45 1 0.750103 0.124883 0.499344 1 W W46 1 0.833448 0.249927 0.499064 1 W W47 1 0.916734 0.375105 0.499147 1 W W48 1 0.833571 -0.000169 0.500210 1 W W49 1 0.916939 0.124717 0.499274 1 S S50 1 0.165457 0.913794 0.392352 1 S S51 1 0.083333 0.542719 0.390619 1 S S52 1 0.164364 0.669013 0.392414 1 S S53 1 0.246490 0.792232 0.392277 1 S S54 1 0.332325 0.916157 0.390471 1 S S55 1 0.083333 0.291794 0.388347 1 S S56 1 0.166579 0.417211 0.388810 1 S S57 1 0.249378 0.542587 0.389274 1 S S58 1 0.332315 0.667149 0.389241 1 S S59 1 0.415535 0.791662 0.388911 1 S S60 1 0.499606 0.916455 0.388620 1 S S61 1 0.083333 0.040666 0.389461 1 S S62 1 0.166539 0.166301 0.388418 1 S S63 1 0.249916 0.291732 0.388338 1 S S64 1 0.333124 0.416975 0.388422 1 S S65 1 0.416304 0.541958 0.388197 1 S S66 1 0.499624 0.666741 0.387868 1 S S67 1 0.583333 0.791649 0.387967 1 S S68 1 0.667060 0.916455 0.388620 1 S S69 1 0.249406 0.040767 0.389307 1 S S70 1 0.333141 0.166360 0.388559 1 S S71 1 0.416593 0.291647 0.388491 1 S S72 1 0.499909 0.416751 0.388254 1 S S73 1 0.583333 0.541776 0.387855 1 S S74 1 0.667043 0.666741 0.387868 1 S S75 1 0.751132 0.791662 0.388911 1 S S76 1 0.834341 0.916157 0.390470 1 S S77 1 0.416245 0.041300 0.388919 1 S S78 1 0.499916 0.166490 0.388666 1 S S79 1 0.583333 0.291613 0.388578 1 S S80 1 0.666757 0.416751 0.388254 1 S S81 1 0.750363 0.541958 0.388197 1 S S82 1 0.834352 0.667149 0.389241 1 S S83 1 0.920177 0.792231 0.392277 1 S S84 1 0.001210 0.913794 0.392352 1 S S85 1 0.583333 0.041440 0.388703 1 S S86 1 0.666750 0.166490 0.388666 1 S S87 1 0.750074 0.291646 0.388491 1 S S88 1 0.833542 0.416975 0.388422 1 S S89 1 0.917289 0.542587 0.389273 1 S S90 1 0.002303 0.669013 0.392413 1 S S91 1 0.750421 0.041300 0.388919 1 S S92 1 0.833526 0.166359 0.388559 1 S S93 1 0.916751 0.291732 0.388338 1 S S94 1 0.000087 0.417210 0.388810 1 S S95 1 0.917260 0.040767 0.389307 1 S S96 1 0.000128 0.166301 0.388418 1 S S97 1 0.083334 0.791669 0.619532 1 S S98 1 0.167265 0.917283 0.614627 1 S S99 1 0.083333 0.540823 0.611956 1 S S100 1 0.167062 0.665933 0.614668 1 S S101 1 0.251058 0.791762 0.614528 1 S S102 1 0.334275 0.916976 0.611781 1 S S103 1 0.083333 0.291575 0.609682 1 S S104 1 0.166749 0.416522 0.610264 1 S S105 1 0.250303 0.541737 0.610857 1 S S106 1 0.333546 0.666670 0.610937 1 S S107 1 0.416990 0.791346 0.610472 1 S S108 1 0.500283 0.916446 0.610155 1 S S109 1 0.083333 0.041724 0.611151 1 S S110 1 0.166567 0.166617 0.609852 1 S S111 1 0.249887 0.291656 0.609695 1 S S112 1 0.333300 0.416863 0.609757 1 S S113 1 0.416717 0.541882 0.609666 1 S S114 1 0.500067 0.666676 0.609397 1 S S115 1 0.583333 0.791425 0.609420 1 S S116 1 0.666384 0.916446 0.610155 1 S S117 1 0.249852 0.041815 0.610893 1 S S118 1 0.333128 0.166590 0.609859 1 S S119 1 0.416520 0.291759 0.609727 1 S S120 1 0.499950 0.416922 0.609556 1 S S121 1 0.583333 0.541915 0.609290 1 S S122 1 0.666600 0.666676 0.609397 1 S S123 1 0.749677 0.791346 0.610472 1 S S124 1 0.832392 0.916976 0.611781 1 S S125 1 0.416768 0.041665 0.610374 1 S S126 1 0.499928 0.166618 0.609959 1 S S127 1 0.583333 0.291791 0.609750 1 S S128 1 0.666716 0.416922 0.609557 1 S S129 1 0.749949 0.541882 0.609666 1 S S130 1 0.833121 0.666670 0.610937 1 S S131 1 0.915609 0.791762 0.614527 1 S S132 1 -0.000599 0.917283 0.614627 1 S S133 1 0.583333 0.041504 0.610029 1 S S134 1 0.666739 0.166618 0.609959 1 S S135 1 0.750147 0.291759 0.609727 1 S S136 1 0.833367 0.416863 0.609757 1 S S137 1 0.916364 0.541737 0.610856 1 S S138 1 -0.000395 0.665933 0.614668 1 S S139 1 0.749899 0.041665 0.610374 1 S S140 1 0.833539 0.166590 0.609859 1 S S141 1 0.916779 0.291656 0.609695 1 S S142 1 -0.000082 0.416521 0.610264 1 S S143 1 0.916815 0.041815 0.610893 1 S S144 1 0.000100 0.166618 0.609852 1