# generated using pymatgen data_GeW48S95 _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 GeW48S95 _chemical_formula_sum 'Ge1 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 Ge Ge1 1 0.083333 0.791676 0.392929 1 W W2 1 -0.006951 0.746653 0.496280 1 W W3 1 0.083333 0.882022 0.496279 1 W W4 1 -0.000443 0.499610 0.499777 1 W W5 1 0.083333 0.624325 0.497525 1 W W6 1 0.173618 0.746653 0.496280 1 W W7 1 0.250668 0.875371 0.497756 1 W W8 1 0.000007 0.250436 0.500838 1 W W9 1 0.083333 0.375047 0.500600 1 W W10 1 0.167110 0.499610 0.499777 1 W W11 1 0.250832 0.623927 0.499364 1 W W12 1 0.334803 0.749856 0.499628 1 W W13 1 0.417306 0.874957 0.500084 1 W W14 1 -0.000683 0.001313 0.499233 1 W W15 1 0.083333 0.126005 0.500400 1 W W16 1 0.166660 0.250436 0.500837 1 W W17 1 0.250250 0.375085 0.500720 1 W W18 1 0.333836 0.499270 0.500530 1 W W19 1 0.417423 0.624486 0.500705 1 W W20 1 0.500571 0.749856 0.500776 1 W W21 1 0.583333 0.874907 0.500697 1 W W22 1 0.167350 0.001313 0.499232 1 W W23 1 0.250495 0.125794 0.500367 1 W W24 1 0.333514 0.250152 0.500788 1 W W25 1 0.416865 0.374765 0.500950 1 W W26 1 0.500231 0.499694 0.501052 1 W W27 1 0.583333 0.624456 0.501082 1 W W28 1 0.666096 0.749856 0.500775 1 W W29 1 0.749361 0.874957 0.500085 1 W W30 1 0.333657 0.000642 0.499804 1 W W31 1 0.416721 0.125099 0.500578 1 W W32 1 0.500193 0.249905 0.500952 1 W W33 1 0.583333 0.374604 0.501093 1 W W34 1 0.666437 0.499694 0.501053 1 W W35 1 0.749244 0.624486 0.500705 1 W W36 1 0.831863 0.749856 0.499628 1 W W37 1 0.916000 0.875371 0.497756 1 W W38 1 0.500215 0.000052 0.500515 1 W W39 1 0.583333 0.124943 0.500755 1 W W40 1 0.666473 0.249905 0.500953 1 W W41 1 0.749802 0.374765 0.500950 1 W W42 1 0.832831 0.499270 0.500530 1 W W43 1 0.915835 0.623927 0.499364 1 W W44 1 0.666451 0.000052 0.500516 1 W W45 1 0.749945 0.125099 0.500579 1 W W46 1 0.833153 0.250152 0.500789 1 W W47 1 0.916417 0.375084 0.500720 1 W W48 1 0.833010 0.000642 0.499805 1 W W49 1 0.916172 0.125794 0.500368 1 S S50 1 0.168860 0.919494 0.386261 1 S S51 1 0.083333 0.540370 0.388348 1 S S52 1 0.168415 0.663728 0.386221 1 S S53 1 0.253968 0.791912 0.386336 1 S S54 1 0.334675 0.917322 0.388624 1 S S55 1 0.083333 0.291908 0.389882 1 S S56 1 0.166820 0.416224 0.389495 1 S S57 1 0.250998 0.540461 0.389001 1 S S58 1 0.334880 0.665889 0.389217 1 S S59 1 0.418207 0.791587 0.389284 1 S S60 1 0.500451 0.916799 0.389549 1 S S61 1 0.083333 0.043339 0.388969 1 S S62 1 0.166856 0.167461 0.389751 1 S S63 1 0.250190 0.291823 0.390043 1 S S64 1 0.333787 0.416168 0.389736 1 S S65 1 0.417243 0.541140 0.389919 1 S S66 1 0.500533 0.666331 0.390029 1 S S67 1 0.583333 0.791567 0.389747 1 S S68 1 0.666216 0.916799 0.389550 1 S S69 1 0.250855 0.043054 0.388929 1 S S70 1 0.333766 0.167178 0.389597 1 S S71 1 0.416962 0.291582 0.390087 1 S S72 1 0.500201 0.416360 0.390248 1 S S73 1 0.583334 0.541256 0.390096 1 S S74 1 0.666134 0.666331 0.390029 1 S S75 1 0.748460 0.791587 0.389283 1 S S76 1 0.831992 0.917323 0.388624 1 S S77 1 0.417255 0.041977 0.389412 1 S S78 1 0.500134 0.166713 0.389981 1 S S79 1 0.583333 0.291498 0.390083 1 S S80 1 0.666466 0.416360 0.390249 1 S S81 1 0.749424 0.541140 0.389920 1 S S82 1 0.831787 0.665889 0.389217 1 S S83 1 0.912699 0.791912 0.386336 1 S S84 1 -0.002193 0.919494 0.386261 1 S S85 1 0.583333 0.041762 0.389679 1 S S86 1 0.666532 0.166713 0.389981 1 S S87 1 0.749704 0.291582 0.390088 1 S S88 1 0.832879 0.416168 0.389738 1 S S89 1 0.915669 0.540461 0.389001 1 S S90 1 -0.001748 0.663728 0.386221 1 S S91 1 0.749412 0.041977 0.389413 1 S S92 1 0.832900 0.167178 0.389598 1 S S93 1 0.916477 0.291823 0.390043 1 S S94 1 -0.000154 0.416224 0.389496 1 S S95 1 0.915812 0.043054 0.388930 1 S S96 1 -0.000190 0.167461 0.389751 1 S S97 1 0.083333 0.791750 0.596320 1 S S98 1 0.167771 0.917717 0.609536 1 S S99 1 0.083333 0.541835 0.609600 1 S S100 1 0.166929 0.665429 0.609475 1 S S101 1 0.251369 0.792135 0.609725 1 S S102 1 0.333185 0.916749 0.609792 1 S S103 1 0.083333 0.292012 0.611719 1 S S104 1 0.166728 0.416821 0.611283 1 S S105 1 0.250356 0.541161 0.610813 1 S S106 1 0.333737 0.666330 0.610598 1 S S107 1 0.417208 0.791679 0.611177 1 S S108 1 0.500031 0.916702 0.611414 1 S S109 1 0.083334 0.042318 0.610249 1 S S110 1 0.166852 0.167103 0.611425 1 S S111 1 0.250163 0.291872 0.611589 1 S S112 1 0.333583 0.416380 0.611785 1 S S113 1 0.416848 0.541261 0.611700 1 S S114 1 0.500228 0.666451 0.611831 1 S S115 1 0.583333 0.791679 0.611903 1 S S116 1 0.666636 0.916702 0.611414 1 S S117 1 0.250376 0.042310 0.610706 1 S S118 1 0.333613 0.166923 0.611569 1 S S119 1 0.416830 0.291515 0.611740 1 S S120 1 0.500110 0.416362 0.611853 1 S S121 1 0.583333 0.541278 0.612105 1 S S122 1 0.666439 0.666451 0.611831 1 S S123 1 0.749459 0.791679 0.611177 1 S S124 1 0.833483 0.916748 0.609792 1 S S125 1 0.416737 0.041684 0.611219 1 S S126 1 0.500019 0.166513 0.611560 1 S S127 1 0.583333 0.291409 0.611991 1 S S128 1 0.666556 0.416362 0.611853 1 S S129 1 0.749819 0.541261 0.611701 1 S S130 1 0.832930 0.666330 0.610598 1 S S131 1 0.915298 0.792135 0.609725 1 S S132 1 -0.001104 0.917717 0.609536 1 S S133 1 0.583333 0.041617 0.611520 1 S S134 1 0.666647 0.166513 0.611561 1 S S135 1 0.749837 0.291515 0.611740 1 S S136 1 0.833083 0.416380 0.611785 1 S S137 1 0.916311 0.541161 0.610813 1 S S138 1 -0.000262 0.665428 0.609475 1 S S139 1 0.749929 0.041684 0.611220 1 S S140 1 0.833053 0.166923 0.611570 1 S S141 1 0.916503 0.291872 0.611590 1 S S142 1 -0.000061 0.416821 0.611283 1 S S143 1 0.916291 0.042310 0.610706 1 S S144 1 -0.000186 0.167103 0.611426 1