# 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 0.791697 0.392584 1 W W2 1 -0.006670 0.746759 0.496263 1 W W3 1 0.083333 0.881768 0.496232 1 W W4 1 -0.000414 0.499538 0.499799 1 W W5 1 0.083333 0.624277 0.497532 1 W W6 1 0.173337 0.746759 0.496263 1 W W7 1 0.250705 0.875419 0.497727 1 W W8 1 -0.000027 0.250410 0.500868 1 W W9 1 0.083333 0.374999 0.500633 1 W W10 1 0.167081 0.499538 0.499798 1 W W11 1 0.250841 0.623849 0.499387 1 W W12 1 0.334851 0.749903 0.499615 1 W W13 1 0.417315 0.875003 0.500069 1 W W14 1 -0.000743 0.001351 0.499269 1 W W15 1 0.083333 0.125968 0.500413 1 W W16 1 0.166694 0.250410 0.500868 1 W W17 1 0.250243 0.375016 0.500732 1 W W18 1 0.333854 0.499278 0.500534 1 W W19 1 0.417389 0.624487 0.500699 1 W W20 1 0.500562 0.749854 0.500799 1 W W21 1 0.583333 0.874952 0.500735 1 W W22 1 0.167410 0.001351 0.499270 1 W W23 1 0.250475 0.125797 0.500404 1 W W24 1 0.333536 0.250157 0.500788 1 W W25 1 0.416883 0.374753 0.500900 1 W W26 1 0.500232 0.499662 0.501036 1 W W27 1 0.583333 0.624499 0.501121 1 W W28 1 0.666104 0.749854 0.500800 1 W W29 1 0.749351 0.875003 0.500068 1 W W30 1 0.333711 0.000652 0.499809 1 W W31 1 0.416769 0.125137 0.500583 1 W W32 1 0.500181 0.249912 0.500866 1 W W33 1 0.583333 0.374631 0.500998 1 W W34 1 0.666435 0.499663 0.501036 1 W W35 1 0.749278 0.624488 0.500700 1 W W36 1 0.831816 0.749903 0.499615 1 W W37 1 0.915962 0.875419 0.497727 1 W W38 1 0.500211 0.000094 0.500538 1 W W39 1 0.583333 0.124973 0.500731 1 W W40 1 0.666486 0.249912 0.500867 1 W W41 1 0.749784 0.374753 0.500900 1 W W42 1 0.832813 0.499278 0.500535 1 W W43 1 0.915825 0.623849 0.499388 1 W W44 1 0.666455 0.000093 0.500538 1 W W45 1 0.749898 0.125137 0.500583 1 W W46 1 0.833130 0.250157 0.500789 1 W W47 1 0.916424 0.375016 0.500733 1 W W48 1 0.832955 0.000652 0.499808 1 W W49 1 0.916192 0.125797 0.500404 1 S S50 1 0.168867 0.919526 0.386312 1 S S51 1 0.083332 0.540299 0.388350 1 S S52 1 0.168406 0.663707 0.386289 1 S S53 1 0.253951 0.791935 0.386387 1 S S54 1 0.334723 0.917372 0.388574 1 S S55 1 0.083333 0.291853 0.389883 1 S S56 1 0.166812 0.416152 0.389478 1 S S57 1 0.250972 0.540395 0.388992 1 S S58 1 0.334855 0.665901 0.389208 1 S S59 1 0.418236 0.791622 0.389254 1 S S60 1 0.500480 0.916841 0.389546 1 S S61 1 0.083334 0.043314 0.388968 1 S S62 1 0.166856 0.167455 0.389739 1 S S63 1 0.250189 0.291789 0.389973 1 S S64 1 0.333771 0.416148 0.389704 1 S S65 1 0.417247 0.541134 0.389885 1 S S66 1 0.500541 0.666334 0.390035 1 S S67 1 0.583333 0.791597 0.389776 1 S S68 1 0.666187 0.916841 0.389545 1 S S69 1 0.250894 0.043082 0.388919 1 S S70 1 0.333773 0.167180 0.389584 1 S S71 1 0.416937 0.291584 0.389956 1 S S72 1 0.500190 0.416375 0.390116 1 S S73 1 0.583333 0.541278 0.390105 1 S S74 1 0.666126 0.666334 0.390035 1 S S75 1 0.748431 0.791622 0.389254 1 S S76 1 0.831944 0.917372 0.388573 1 S S77 1 0.417283 0.042022 0.389378 1 S S78 1 0.500143 0.166718 0.389863 1 S S79 1 0.583333 0.291507 0.389920 1 S S80 1 0.666477 0.416375 0.390116 1 S S81 1 0.749420 0.541134 0.389885 1 S S82 1 0.831812 0.665901 0.389209 1 S S83 1 0.912716 0.791935 0.386387 1 S S84 1 -0.002200 0.919526 0.386312 1 S S85 1 0.583333 0.041785 0.389659 1 S S86 1 0.666524 0.166718 0.389863 1 S S87 1 0.749730 0.291584 0.389956 1 S S88 1 0.832896 0.416148 0.389705 1 S S89 1 0.915694 0.540395 0.388994 1 S S90 1 -0.001740 0.663707 0.386289 1 S S91 1 0.749384 0.042022 0.389378 1 S S92 1 0.832894 0.167180 0.389585 1 S S93 1 0.916478 0.291789 0.389974 1 S S94 1 -0.000145 0.416152 0.389479 1 S S95 1 0.915774 0.043082 0.388919 1 S S96 1 -0.000189 0.167455 0.389739 1 S S97 1 0.083333 0.791747 0.596932 1 S S98 1 0.167762 0.917700 0.609463 1 S S99 1 0.083334 0.541788 0.609644 1 S S100 1 0.166928 0.665417 0.609401 1 S S101 1 0.251352 0.792154 0.609607 1 S S102 1 0.333201 0.916766 0.609804 1 S S103 1 0.083333 0.291962 0.611790 1 S S104 1 0.166733 0.416769 0.611340 1 S S105 1 0.250353 0.541100 0.610842 1 S S106 1 0.333720 0.666350 0.610590 1 S S107 1 0.417214 0.791720 0.611182 1 S S108 1 0.500027 0.916739 0.611456 1 S S109 1 0.083333 0.042301 0.610282 1 S S110 1 0.166841 0.167090 0.611499 1 S S111 1 0.250184 0.291843 0.611687 1 S S112 1 0.333603 0.416346 0.611791 1 S S113 1 0.416866 0.541258 0.611734 1 S S114 1 0.500199 0.666443 0.611876 1 S S115 1 0.583333 0.791689 0.611937 1 S S116 1 0.666639 0.916739 0.611456 1 S S117 1 0.250426 0.042325 0.610762 1 S S118 1 0.333635 0.166934 0.611624 1 S S119 1 0.416865 0.291522 0.611768 1 S S120 1 0.500128 0.416338 0.611876 1 S S121 1 0.583333 0.541264 0.612133 1 S S122 1 0.666468 0.666443 0.611876 1 S S123 1 0.749453 0.791721 0.611182 1 S S124 1 0.833466 0.916766 0.609804 1 S S125 1 0.416755 0.041725 0.611276 1 S S126 1 0.500046 0.166553 0.611603 1 S S127 1 0.583333 0.291423 0.611938 1 S S128 1 0.666538 0.416339 0.611876 1 S S129 1 0.749800 0.541258 0.611735 1 S S130 1 0.832946 0.666350 0.610591 1 S S131 1 0.915314 0.792154 0.609607 1 S S132 1 -0.001096 0.917700 0.609462 1 S S133 1 0.583334 0.041665 0.611580 1 S S134 1 0.666621 0.166553 0.611603 1 S S135 1 0.749801 0.291523 0.611769 1 S S136 1 0.833064 0.416346 0.611792 1 S S137 1 0.916314 0.541100 0.610843 1 S S138 1 -0.000262 0.665417 0.609401 1 S S139 1 0.749912 0.041725 0.611276 1 S S140 1 0.833032 0.166934 0.611624 1 S S141 1 0.916483 0.291843 0.611688 1 S S142 1 -0.000066 0.416768 0.611341 1 S S143 1 0.916240 0.042325 0.610761 1 S S144 1 -0.000174 0.167090 0.611498 1