# 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 0.791712 0.392941 1 W W2 1 -0.006434 0.746821 0.496752 1 W W3 1 0.083334 0.881562 0.496740 1 W W4 1 -0.000414 0.499447 0.499852 1 W W5 1 0.083333 0.624203 0.497927 1 W W6 1 0.173100 0.746821 0.496753 1 W W7 1 0.250766 0.875433 0.498035 1 W W8 1 -0.000026 0.250401 0.500798 1 W W9 1 0.083333 0.374963 0.500581 1 W W10 1 0.167080 0.499447 0.499852 1 W W11 1 0.250830 0.623748 0.499641 1 W W12 1 0.334915 0.749958 0.499832 1 W W13 1 0.417358 0.875016 0.500109 1 W W14 1 -0.000834 0.001395 0.499591 1 W W15 1 0.083333 0.125950 0.500435 1 W W16 1 0.166693 0.250401 0.500798 1 W W17 1 0.250190 0.374950 0.500622 1 W W18 1 0.333830 0.499311 0.500414 1 W W19 1 0.417343 0.624521 0.500659 1 W W20 1 0.500521 0.749870 0.500786 1 W W21 1 0.583333 0.874990 0.500714 1 W W22 1 0.167500 0.001395 0.499591 1 W W23 1 0.250401 0.125798 0.500378 1 W W24 1 0.333509 0.250181 0.500618 1 W W25 1 0.416884 0.374737 0.500573 1 W W26 1 0.500212 0.499660 0.500814 1 W W27 1 0.583333 0.624583 0.501027 1 W W28 1 0.666146 0.749870 0.500786 1 W W29 1 0.749310 0.875016 0.500110 1 W W30 1 0.333735 0.000667 0.499868 1 W W31 1 0.416789 0.125172 0.500413 1 W W32 1 0.500149 0.249907 0.500410 1 W W33 1 0.583333 0.374667 0.500545 1 W W34 1 0.666454 0.499660 0.500814 1 W W35 1 0.749324 0.624520 0.500659 1 W W36 1 0.831752 0.749958 0.499832 1 W W37 1 0.915901 0.875433 0.498035 1 W W38 1 0.500180 0.000114 0.500491 1 W W39 1 0.583333 0.125000 0.500496 1 W W40 1 0.666518 0.249907 0.500411 1 W W41 1 0.749783 0.374737 0.500574 1 W W42 1 0.832837 0.499311 0.500414 1 W W43 1 0.915837 0.623748 0.499641 1 W W44 1 0.666486 0.000114 0.500492 1 W W45 1 0.749878 0.125172 0.500413 1 W W46 1 0.833158 0.250180 0.500618 1 W W47 1 0.916477 0.374950 0.500622 1 W W48 1 0.832932 0.000667 0.499869 1 W W49 1 0.916266 0.125798 0.500378 1 S S50 1 0.168828 0.919484 0.386795 1 S S51 1 0.083334 0.540315 0.388592 1 S S52 1 0.168357 0.663726 0.386751 1 S S53 1 0.253793 0.791913 0.386846 1 S S54 1 0.334687 0.917340 0.388738 1 S S55 1 0.083333 0.291837 0.389801 1 S S56 1 0.166783 0.416137 0.389407 1 S S57 1 0.250869 0.540437 0.389006 1 S S58 1 0.334718 0.665977 0.389402 1 S S59 1 0.418164 0.791647 0.389284 1 S S60 1 0.500473 0.916838 0.389529 1 S S61 1 0.083333 0.043201 0.389247 1 S S62 1 0.166808 0.167440 0.389680 1 S S63 1 0.250108 0.291771 0.389815 1 S S64 1 0.333668 0.416161 0.389550 1 S S65 1 0.417195 0.541200 0.389768 1 S S66 1 0.500480 0.666395 0.390002 1 S S67 1 0.583333 0.791616 0.389791 1 S S68 1 0.666194 0.916838 0.389529 1 S S69 1 0.250835 0.043018 0.389012 1 S S70 1 0.333687 0.167163 0.389490 1 S S71 1 0.416829 0.291571 0.389607 1 S S72 1 0.500150 0.416434 0.389753 1 S S73 1 0.583333 0.541373 0.389958 1 S S74 1 0.666187 0.666395 0.390001 1 S S75 1 0.748502 0.791647 0.389284 1 S S76 1 0.831980 0.917340 0.388738 1 S S77 1 0.417214 0.042000 0.389314 1 S S78 1 0.500118 0.166651 0.389532 1 S S79 1 0.583333 0.291526 0.389423 1 S S80 1 0.666517 0.416434 0.389753 1 S S81 1 0.749471 0.541200 0.389768 1 S S82 1 0.831948 0.665977 0.389402 1 S S83 1 0.912874 0.791913 0.386846 1 S S84 1 -0.002162 0.919485 0.386794 1 S S85 1 0.583333 0.041741 0.389585 1 S S86 1 0.666548 0.166651 0.389532 1 S S87 1 0.749838 0.291570 0.389607 1 S S88 1 0.832999 0.416161 0.389550 1 S S89 1 0.915798 0.540437 0.389006 1 S S90 1 -0.001690 0.663726 0.386751 1 S S91 1 0.749452 0.042000 0.389314 1 S S92 1 0.832980 0.167163 0.389490 1 S S93 1 0.916559 0.291771 0.389815 1 S S94 1 -0.000116 0.416137 0.389407 1 S S95 1 0.915831 0.043018 0.389013 1 S S96 1 -0.000141 0.167440 0.389681 1 S S97 1 0.083333 0.791730 0.597912 1 S S98 1 0.167862 0.917729 0.609730 1 S S99 1 0.083333 0.541579 0.609745 1 S S100 1 0.166959 0.665282 0.609741 1 S S101 1 0.251421 0.792159 0.609840 1 S S102 1 0.333365 0.916833 0.609906 1 S S103 1 0.083333 0.291946 0.611751 1 S S104 1 0.166740 0.416652 0.611344 1 S S105 1 0.250378 0.540951 0.610921 1 S S106 1 0.333746 0.666348 0.610691 1 S S107 1 0.417300 0.791760 0.611302 1 S S108 1 0.500057 0.916784 0.611447 1 S S109 1 0.083333 0.042350 0.610469 1 S S110 1 0.166814 0.167121 0.611480 1 S S111 1 0.250176 0.291814 0.611623 1 S S112 1 0.333641 0.416301 0.611538 1 S S113 1 0.416877 0.541240 0.611580 1 S S114 1 0.500192 0.666448 0.611822 1 S S115 1 0.583333 0.791712 0.611872 1 S S116 1 0.666609 0.916783 0.611447 1 S S117 1 0.250523 0.042420 0.610895 1 S S118 1 0.333647 0.166986 0.611476 1 S S119 1 0.416948 0.291528 0.611459 1 S S120 1 0.500146 0.416283 0.611538 1 S S121 1 0.583333 0.541255 0.611919 1 S S122 1 0.666475 0.666448 0.611822 1 S S123 1 0.749367 0.791760 0.611302 1 S S124 1 0.833303 0.916833 0.609907 1 S S125 1 0.416791 0.041830 0.611219 1 S S126 1 0.500066 0.166652 0.611335 1 S S127 1 0.583333 0.291429 0.611408 1 S S128 1 0.666520 0.416283 0.611538 1 S S129 1 0.749788 0.541240 0.611579 1 S S130 1 0.832921 0.666348 0.610692 1 S S131 1 0.915245 0.792159 0.609841 1 S S132 1 -0.001195 0.917729 0.609730 1 S S133 1 0.583333 0.041740 0.611461 1 S S134 1 0.666601 0.166652 0.611335 1 S S135 1 0.749722 0.291528 0.611459 1 S S136 1 0.833026 0.416301 0.611538 1 S S137 1 0.916288 0.540950 0.610921 1 S S138 1 -0.000292 0.665282 0.609741 1 S S139 1 0.749876 0.041829 0.611219 1 S S140 1 0.833020 0.166985 0.611476 1 S S141 1 0.916491 0.291814 0.611623 1 S S142 1 -0.000074 0.416652 0.611344 1 S S143 1 0.916143 0.042420 0.610895 1 S S144 1 -0.000147 0.167120 0.611480 1