# 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 0.791710 0.372413 1 W W2 1 0.001478 0.750836 0.506460 1 W W3 1 0.083333 0.873455 0.506518 1 W W4 1 -0.000049 0.500363 0.500127 1 W W5 1 0.083333 0.625374 0.503025 1 W W6 1 0.165188 0.750836 0.506460 1 W W7 1 0.249726 0.874892 0.503013 1 W W8 1 0.000054 0.250020 0.499047 1 W W9 1 0.083333 0.375201 0.499439 1 W W10 1 0.166716 0.500362 0.500127 1 W W11 1 0.249559 0.625534 0.500625 1 W W12 1 0.332716 0.750146 0.500479 1 W W13 1 0.416486 0.874837 0.499821 1 W W14 1 0.000225 -0.000537 0.500623 1 W W15 1 0.083333 0.124637 0.499172 1 W W16 1 0.166613 0.250020 0.499047 1 W W17 1 0.249942 0.375148 0.499325 1 W W18 1 0.333207 0.500357 0.499263 1 W W19 1 0.416313 0.625250 0.499004 1 W W20 1 0.499741 0.749973 0.498649 1 W W21 1 0.583333 0.874858 0.498977 1 W W22 1 0.166442 -0.000537 0.500623 1 W W23 1 0.249724 0.124758 0.499195 1 W W24 1 0.333226 0.249985 0.499321 1 W W25 1 0.416548 0.375139 0.499422 1 W W26 1 0.499927 0.500105 0.499018 1 W W27 1 0.583333 0.625113 0.498471 1 W W28 1 0.666925 0.749973 0.498649 1 W W29 1 0.750181 0.874837 0.499821 1 W W30 1 0.333051 -0.000106 0.500074 1 W W31 1 0.416499 0.124961 0.499510 1 W W32 1 0.499939 0.249985 0.499699 1 W W33 1 0.583333 0.375081 0.499556 1 W W34 1 0.666739 0.500105 0.499018 1 W W35 1 0.750354 0.625250 0.499004 1 W W36 1 0.833950 0.750146 0.500479 1 W W37 1 0.916941 0.874892 0.503013 1 W W38 1 0.499857 -0.000140 0.499514 1 W W39 1 0.583333 0.124945 0.499672 1 W W40 1 0.666728 0.249985 0.499699 1 W W41 1 0.750119 0.375140 0.499422 1 W W42 1 0.833459 0.500357 0.499263 1 W W43 1 0.917107 0.625535 0.500626 1 W W44 1 0.666810 -0.000140 0.499514 1 W W45 1 0.750167 0.124961 0.499510 1 W W46 1 0.833440 0.249985 0.499321 1 W W47 1 0.916725 0.375148 0.499325 1 W W48 1 0.833615 -0.000106 0.500074 1 W W49 1 0.916943 0.124758 0.499195 1 S S50 1 0.165515 0.913779 0.392030 1 S S51 1 0.083333 0.542688 0.390512 1 S S52 1 0.164416 0.668972 0.391993 1 S S53 1 0.246599 0.792269 0.392009 1 S S54 1 0.332310 0.916178 0.390405 1 S S55 1 0.083333 0.291836 0.388556 1 S S56 1 0.166621 0.417155 0.388999 1 S S57 1 0.249474 0.542534 0.389279 1 S S58 1 0.332362 0.667140 0.389168 1 S S59 1 0.415498 0.791650 0.388906 1 S S60 1 0.499592 0.916485 0.388810 1 S S61 1 0.083333 0.040681 0.389259 1 S S62 1 0.166550 0.166407 0.388502 1 S S63 1 0.249993 0.291735 0.388611 1 S S64 1 0.333236 0.416873 0.388727 1 S S65 1 0.416397 0.541816 0.388465 1 S S66 1 0.499625 0.666680 0.388073 1 S S67 1 0.583333 0.791610 0.388170 1 S S68 1 0.667075 0.916485 0.388810 1 S S69 1 0.249382 0.040794 0.389203 1 S S70 1 0.333161 0.166455 0.388728 1 S S71 1 0.416680 0.291617 0.388905 1 S S72 1 0.499981 0.416535 0.388742 1 S S73 1 0.583333 0.541560 0.388269 1 S S74 1 0.667042 0.666680 0.388073 1 S S75 1 0.751169 0.791650 0.388907 1 S S76 1 0.834356 0.916178 0.390405 1 S S77 1 0.416234 0.041408 0.389073 1 S S78 1 0.499956 0.166568 0.389045 1 S S79 1 0.583333 0.291563 0.389095 1 S S80 1 0.666686 0.416535 0.388742 1 S S81 1 0.750269 0.541816 0.388465 1 S S82 1 0.834305 0.667140 0.389168 1 S S83 1 0.920067 0.792269 0.392009 1 S S84 1 0.001152 0.913779 0.392030 1 S S85 1 0.583333 0.041515 0.389055 1 S S86 1 0.666710 0.166568 0.389045 1 S S87 1 0.749987 0.291617 0.388905 1 S S88 1 0.833430 0.416873 0.388727 1 S S89 1 0.917192 0.542535 0.389280 1 S S90 1 0.002251 0.668972 0.391993 1 S S91 1 0.750433 0.041408 0.389073 1 S S92 1 0.833506 0.166455 0.388728 1 S S93 1 0.916674 0.291735 0.388611 1 S S94 1 0.000045 0.417155 0.388999 1 S S95 1 0.917284 0.040794 0.389203 1 S S96 1 0.000116 0.166407 0.388502 1 S S97 1 0.083333 0.791631 0.618971 1 S S98 1 0.167223 0.917215 0.614130 1 S S99 1 0.083333 0.540924 0.611669 1 S S100 1 0.167019 0.666001 0.614117 1 S S101 1 0.250968 0.791736 0.614066 1 S S102 1 0.334233 0.916964 0.611548 1 S S103 1 0.083333 0.291609 0.609734 1 S S104 1 0.166747 0.416618 0.610238 1 S S105 1 0.250283 0.541831 0.610628 1 S S106 1 0.333453 0.666709 0.610609 1 S S107 1 0.416896 0.791344 0.610239 1 S S108 1 0.500196 0.916375 0.609970 1 S S109 1 0.083333 0.041642 0.610717 1 S S110 1 0.166514 0.166570 0.609691 1 S S111 1 0.249848 0.291641 0.609829 1 S S112 1 0.333256 0.416885 0.609941 1 S S113 1 0.416682 0.541887 0.609681 1 S S114 1 0.500031 0.666669 0.609203 1 S S115 1 0.583333 0.791356 0.609203 1 S S116 1 0.666471 0.916375 0.609970 1 S S117 1 0.249745 0.041763 0.610583 1 S S118 1 0.332993 0.166550 0.609914 1 S S119 1 0.416455 0.291687 0.610134 1 S S120 1 0.499924 0.416833 0.609993 1 S S121 1 0.583333 0.541879 0.609339 1 S S122 1 0.666636 0.666669 0.609203 1 S S123 1 0.749771 0.791344 0.610239 1 S S124 1 0.832434 0.916964 0.611548 1 S S125 1 0.416626 0.041652 0.610284 1 S S126 1 0.499860 0.166543 0.610246 1 S S127 1 0.583334 0.291669 0.610331 1 S S128 1 0.666743 0.416833 0.609993 1 S S129 1 0.749984 0.541887 0.609681 1 S S130 1 0.833213 0.666709 0.610609 1 S S131 1 0.915699 0.791736 0.614066 1 S S132 1 -0.000556 0.917215 0.614130 1 S S133 1 0.583333 0.041432 0.610068 1 S S134 1 0.666806 0.166543 0.610247 1 S S135 1 0.750211 0.291687 0.610134 1 S S136 1 0.833411 0.416885 0.609941 1 S S137 1 0.916384 0.541831 0.610628 1 S S138 1 -0.000353 0.666001 0.614117 1 S S139 1 0.750041 0.041652 0.610284 1 S S140 1 0.833674 0.166550 0.609914 1 S S141 1 0.916819 0.291641 0.609829 1 S S142 1 -0.000080 0.416618 0.610238 1 S S143 1 0.916921 0.041763 0.610583 1 S S144 1 0.000153 0.166570 0.609691 1