# generated using pymatgen data_CdW48S95 _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 CdW48S95 _chemical_formula_sum 'Cd1 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 Cd Cd1 1 0.083333 0.791642 0.341353 1 W W2 1 0.000500 0.750249 0.504698 1 W W3 1 0.083333 0.874544 0.504646 1 W W4 1 -0.000147 0.500595 0.500201 1 W W5 1 0.083333 0.627185 0.501780 1 W W6 1 0.166167 0.750249 0.504698 1 W W7 1 0.247914 0.873920 0.501800 1 W W8 1 0.000013 0.250377 0.499946 1 W W9 1 0.083333 0.375587 0.500078 1 W W10 1 0.166814 0.500595 0.500201 1 W W11 1 0.250000 0.625397 0.499941 1 W W12 1 0.332991 0.749743 0.499968 1 W W13 1 0.416374 0.874533 0.500181 1 W W14 1 0.000382 -0.000090 0.499934 1 W W15 1 0.083333 0.125429 0.499822 1 W W16 1 0.166654 0.250377 0.499946 1 W W17 1 0.249962 0.375370 0.499952 1 W W18 1 0.333320 0.500262 0.499834 1 W W19 1 0.416882 0.624785 0.499830 1 W W20 1 0.499804 0.749709 0.499769 1 W W21 1 0.583333 0.874682 0.499895 1 W W22 1 0.166285 -0.000090 0.499934 1 W W23 1 0.249753 0.125005 0.499827 1 W W24 1 0.333227 0.250134 0.499929 1 W W25 1 0.416668 0.375033 0.499954 1 W W26 1 0.500021 0.499871 0.499956 1 W W27 1 0.583333 0.624803 0.499882 1 W W28 1 0.666863 0.749709 0.499769 1 W W29 1 0.750292 0.874533 0.500181 1 W W30 1 0.332811 -0.000157 0.500207 1 W W31 1 0.416485 0.124827 0.499960 1 W W32 1 0.499933 0.249875 0.499982 1 W W33 1 0.583333 0.374892 0.500008 1 W W34 1 0.666646 0.499871 0.499956 1 W W35 1 0.749784 0.624785 0.499830 1 W W36 1 0.833676 0.749743 0.499968 1 W W37 1 0.918753 0.873920 0.501800 1 W W38 1 0.499770 -0.000344 0.500053 1 W W39 1 0.583333 0.124781 0.499987 1 W W40 1 0.666734 0.249875 0.499982 1 W W41 1 0.749999 0.375033 0.499954 1 W W42 1 0.833347 0.500262 0.499834 1 W W43 1 0.916667 0.625397 0.499941 1 W W44 1 0.666896 -0.000344 0.500053 1 W W45 1 0.750181 0.124827 0.499960 1 W W46 1 0.833440 0.250134 0.499929 1 W W47 1 0.916705 0.375370 0.499952 1 W W48 1 0.833856 -0.000157 0.500207 1 W W49 1 0.916914 0.125005 0.499827 1 S S50 1 0.165808 0.915100 0.390695 1 S S51 1 0.083333 0.543215 0.390495 1 S S52 1 0.165492 0.668174 0.390645 1 S S53 1 0.247974 0.791787 0.390702 1 S S54 1 0.331924 0.915887 0.390558 1 S S55 1 0.083333 0.292192 0.389260 1 S S56 1 0.166586 0.417266 0.389321 1 S S57 1 0.249873 0.541990 0.389162 1 S S58 1 0.333582 0.666502 0.389203 1 S S59 1 0.416345 0.791523 0.389185 1 S S60 1 0.499664 0.916366 0.389323 1 S S61 1 0.083333 0.042056 0.389206 1 S S62 1 0.166653 0.167033 0.389079 1 S S63 1 0.249991 0.291979 0.389154 1 S S64 1 0.333360 0.416833 0.389185 1 S S65 1 0.416789 0.541525 0.389021 1 S S66 1 0.500074 0.666442 0.388976 1 S S67 1 0.583333 0.791396 0.389172 1 S S68 1 0.667002 0.916366 0.389323 1 S S69 1 0.249814 0.041501 0.389217 1 S S70 1 0.333223 0.166681 0.389232 1 S S71 1 0.416657 0.291658 0.389203 1 S S72 1 0.500042 0.416528 0.389173 1 S S73 1 0.583333 0.541458 0.389116 1 S S74 1 0.666592 0.666442 0.388976 1 S S75 1 0.750321 0.791523 0.389185 1 S S76 1 0.834743 0.915887 0.390558 1 S S77 1 0.416328 0.041320 0.389388 1 S S78 1 0.499932 0.166480 0.389250 1 S S79 1 0.583333 0.291509 0.389269 1 S S80 1 0.666625 0.416528 0.389173 1 S S81 1 0.749877 0.541525 0.389021 1 S S82 1 0.833085 0.666502 0.389203 1 S S83 1 0.918693 0.791787 0.390702 1 S S84 1 0.000859 0.915100 0.390695 1 S S85 1 0.583333 0.041333 0.389386 1 S S86 1 0.666735 0.166480 0.389250 1 S S87 1 0.750010 0.291658 0.389203 1 S S88 1 0.833307 0.416833 0.389185 1 S S89 1 0.916794 0.541990 0.389162 1 S S90 1 0.001175 0.668174 0.390645 1 S S91 1 0.750338 0.041320 0.389388 1 S S92 1 0.833444 0.166681 0.389232 1 S S93 1 0.916676 0.291979 0.389154 1 S S94 1 0.000080 0.417266 0.389321 1 S S95 1 0.916852 0.041501 0.389217 1 S S96 1 0.000014 0.167033 0.389079 1 S S97 1 0.083333 0.791700 0.614291 1 S S98 1 0.165670 0.917296 0.613476 1 S S99 1 0.083333 0.542283 0.610812 1 S S100 1 0.167731 0.667152 0.613527 1 S S101 1 0.250075 0.790609 0.613520 1 S S102 1 0.332868 0.916346 0.610785 1 S S103 1 0.083333 0.292103 0.610713 1 S S104 1 0.166748 0.417117 0.610854 1 S S105 1 0.250234 0.542035 0.610871 1 S S106 1 0.333544 0.666513 0.610663 1 S S107 1 0.416538 0.791231 0.610816 1 S S108 1 0.499925 0.916308 0.610754 1 S S109 1 0.083333 0.041999 0.610616 1 S S110 1 0.166624 0.166982 0.610667 1 S S111 1 0.249999 0.291970 0.610719 1 S S112 1 0.333367 0.416881 0.610652 1 S S113 1 0.416766 0.541589 0.610756 1 S S114 1 0.500058 0.666463 0.610692 1 S S115 1 0.583333 0.791330 0.610448 1 S S116 1 0.666742 0.916308 0.610754 1 S S117 1 0.249588 0.041751 0.610811 1 S S118 1 0.333157 0.166680 0.610588 1 S S119 1 0.416619 0.291659 0.610742 1 S S120 1 0.500006 0.416553 0.610815 1 S S121 1 0.583333 0.541505 0.610761 1 S S122 1 0.666609 0.666463 0.610692 1 S S123 1 0.750128 0.791231 0.610816 1 S S124 1 0.833799 0.916346 0.610785 1 S S125 1 0.416426 0.041486 0.610776 1 S S126 1 0.499928 0.166479 0.610715 1 S S127 1 0.583333 0.291497 0.610774 1 S S128 1 0.666660 0.416553 0.610815 1 S S129 1 0.749901 0.541589 0.610756 1 S S130 1 0.833123 0.666513 0.610663 1 S S131 1 0.916591 0.790609 0.613520 1 S S132 1 0.000996 0.917296 0.613476 1 S S133 1 0.583333 0.041378 0.610638 1 S S134 1 0.666739 0.166479 0.610715 1 S S135 1 0.750047 0.291659 0.610742 1 S S136 1 0.833299 0.416881 0.610652 1 S S137 1 0.916433 0.542035 0.610871 1 S S138 1 -0.001064 0.667152 0.613527 1 S S139 1 0.750240 0.041486 0.610776 1 S S140 1 0.833510 0.166680 0.610588 1 S S141 1 0.916667 0.291970 0.610719 1 S S142 1 -0.000082 0.417117 0.610854 1 S S143 1 0.917079 0.041751 0.610811 1 S S144 1 0.000043 0.166982 0.610667 1