# 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 0.791662 0.379261 1 W W2 1 -0.002386 0.748796 0.500042 1 W W3 1 0.083333 0.877415 0.500015 1 W W4 1 -0.000058 0.499457 0.500139 1 W W5 1 0.083333 0.624326 0.499899 1 W W6 1 0.169053 0.748796 0.500042 1 W W7 1 0.250639 0.875346 0.499897 1 W W8 1 -0.000046 0.249839 0.499990 1 W W9 1 0.083333 0.374634 0.499957 1 W W10 1 0.166725 0.499457 0.500139 1 W W11 1 0.250092 0.624377 0.500635 1 W W12 1 0.333963 0.750270 0.500631 1 W W13 1 0.417104 0.875275 0.500129 1 W W14 1 -0.000577 0.000358 0.500634 1 W W15 1 0.083333 0.125016 0.500264 1 W W16 1 0.166712 0.249839 0.499990 1 W W17 1 0.250042 0.374727 0.499958 1 W W18 1 0.333401 0.499734 0.500094 1 W W19 1 0.416759 0.624986 0.500250 1 W W20 1 0.500163 0.750176 0.500060 1 W W21 1 0.583333 0.875250 0.499939 1 W W22 1 0.167244 0.000358 0.500634 1 W W23 1 0.250232 0.125118 0.500095 1 W W24 1 0.333438 0.249979 0.499952 1 W W25 1 0.416726 0.374909 0.499959 1 W W26 1 0.500013 0.499991 0.499985 1 W W27 1 0.583333 0.625078 0.499990 1 W W28 1 0.666504 0.750176 0.500060 1 W W29 1 0.749563 0.875275 0.500129 1 W W30 1 0.333773 0.000314 0.500137 1 W W31 1 0.416856 0.125154 0.499968 1 W W32 1 0.500052 0.250051 0.499977 1 W W33 1 0.583333 0.375013 0.499973 1 W W34 1 0.666653 0.499991 0.499985 1 W W35 1 0.749908 0.624986 0.500250 1 W W36 1 0.832704 0.750270 0.500631 1 W W37 1 0.916028 0.875346 0.499897 1 W W38 1 0.500168 0.000245 0.499950 1 W W39 1 0.583333 0.125166 0.499972 1 W W40 1 0.666615 0.250051 0.499977 1 W W41 1 0.749941 0.374909 0.499959 1 W W42 1 0.833266 0.499734 0.500094 1 W W43 1 0.916575 0.624377 0.500635 1 W W44 1 0.666499 0.000245 0.499950 1 W W45 1 0.749811 0.125154 0.499968 1 W W46 1 0.833229 0.249979 0.499952 1 W W47 1 0.916625 0.374727 0.499958 1 W W48 1 0.832894 0.000314 0.500137 1 W W49 1 0.916435 0.125118 0.500095 1 S S50 1 0.167207 0.917225 0.389200 1 S S51 1 0.083333 0.541048 0.389416 1 S S52 1 0.166958 0.665965 0.389227 1 S S53 1 0.250812 0.791805 0.389211 1 S S54 1 0.333863 0.916985 0.389377 1 S S55 1 0.083333 0.291394 0.389190 1 S S56 1 0.166680 0.416310 0.389207 1 S S57 1 0.250026 0.541349 0.389493 1 S S58 1 0.333312 0.666687 0.389990 1 S S59 1 0.416895 0.791860 0.389437 1 S S60 1 0.500147 0.916910 0.389135 1 S S61 1 0.083333 0.041603 0.389986 1 S S62 1 0.166677 0.166516 0.389364 1 S S63 1 0.250029 0.291480 0.389179 1 S S64 1 0.333363 0.416504 0.389243 1 S S65 1 0.416634 0.541695 0.389396 1 S S66 1 0.499955 0.666747 0.389367 1 S S67 1 0.583333 0.791830 0.389210 1 S S68 1 0.666520 0.916910 0.389135 1 S S69 1 0.250279 0.041818 0.389457 1 S S70 1 0.333459 0.166708 0.389211 1 S S71 1 0.416733 0.291640 0.389185 1 S S72 1 0.500012 0.416678 0.389236 1 S S73 1 0.583333 0.541718 0.389257 1 S S74 1 0.666711 0.666747 0.389367 1 S S75 1 0.749771 0.791860 0.389437 1 S S76 1 0.832804 0.916985 0.389377 1 S S77 1 0.416888 0.041872 0.389170 1 S S78 1 0.500079 0.166793 0.389166 1 S S79 1 0.583333 0.291718 0.389226 1 S S80 1 0.666655 0.416678 0.389236 1 S S81 1 0.750033 0.541695 0.389396 1 S S82 1 0.833354 0.666687 0.389990 1 S S83 1 0.915855 0.791805 0.389211 1 S S84 1 -0.000541 0.917225 0.389200 1 S S85 1 0.583333 0.041895 0.389117 1 S S86 1 0.666587 0.166793 0.389166 1 S S87 1 0.749934 0.291640 0.389185 1 S S88 1 0.833304 0.416504 0.389243 1 S S89 1 0.916640 0.541349 0.389493 1 S S90 1 -0.000292 0.665965 0.389227 1 S S91 1 0.749779 0.041872 0.389170 1 S S92 1 0.833207 0.166708 0.389211 1 S S93 1 0.916638 0.291480 0.389179 1 S S94 1 -0.000014 0.416310 0.389207 1 S S95 1 0.916387 0.041818 0.389457 1 S S96 1 -0.000010 0.166516 0.389364 1 S S97 1 0.083333 0.791673 0.606215 1 S S98 1 0.167806 0.917081 0.611249 1 S S99 1 0.083333 0.541207 0.610800 1 S S100 1 0.166517 0.665571 0.611246 1 S S101 1 0.250977 0.792324 0.611242 1 S S102 1 0.333723 0.916911 0.610828 1 S S103 1 0.083333 0.291413 0.610724 1 S S104 1 0.166672 0.416214 0.610789 1 S S105 1 0.250057 0.541106 0.611036 1 S S106 1 0.333445 0.666619 0.611051 1 S S107 1 0.417164 0.791954 0.611044 1 S S108 1 0.500250 0.916960 0.610820 1 S S109 1 0.083333 0.041736 0.611068 1 S S110 1 0.166767 0.166637 0.610850 1 S S111 1 0.250048 0.291493 0.610720 1 S S112 1 0.333377 0.416419 0.610734 1 S S113 1 0.416711 0.541573 0.610803 1 S S114 1 0.500104 0.666769 0.610784 1 S S115 1 0.583333 0.791895 0.610772 1 S S116 1 0.666416 0.916960 0.610820 1 S S117 1 0.250505 0.041960 0.611065 1 S S118 1 0.333536 0.166768 0.610773 1 S S119 1 0.416721 0.291646 0.610726 1 S S120 1 0.500010 0.416664 0.610691 1 S S121 1 0.583333 0.541712 0.610661 1 S S122 1 0.666562 0.666769 0.610784 1 S S123 1 0.749503 0.791954 0.611044 1 S S124 1 0.832943 0.916911 0.610828 1 S S125 1 0.416995 0.041906 0.610830 1 S S126 1 0.500077 0.166788 0.610773 1 S S127 1 0.583333 0.291719 0.610736 1 S S128 1 0.666657 0.416664 0.610691 1 S S129 1 0.749955 0.541573 0.610803 1 S S130 1 0.833222 0.666619 0.611051 1 S S131 1 0.915690 0.792324 0.611242 1 S S132 1 -0.001139 0.917081 0.611249 1 S S133 1 0.583333 0.041886 0.610775 1 S S134 1 0.666589 0.166788 0.610773 1 S S135 1 0.749946 0.291646 0.610726 1 S S136 1 0.833290 0.416419 0.610734 1 S S137 1 0.916610 0.541106 0.611036 1 S S138 1 0.000149 0.665571 0.611246 1 S S139 1 0.749671 0.041906 0.610830 1 S S140 1 0.833131 0.166768 0.610773 1 S S141 1 0.916619 0.291493 0.610720 1 S S142 1 -0.000005 0.416214 0.610789 1 S S143 1 0.916161 0.041960 0.611065 1 S S144 1 -0.000101 0.166637 0.610850 1