# generated using pymatgen data_AgW48S95 _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 AgW48S95 _chemical_formula_sum 'Ag1 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 Ag Ag1 1 0.083333 0.791675 0.349036 1 W W2 1 0.001026 0.750535 0.503748 1 W W3 1 0.083333 0.873980 0.503729 1 W W4 1 0.000032 0.500678 0.500258 1 W W5 1 0.083333 0.626673 0.501755 1 W W6 1 0.165641 0.750535 0.503748 1 W W7 1 0.248398 0.874171 0.501738 1 W W8 1 0.000074 0.250076 0.499864 1 W W9 1 0.083333 0.375409 0.500047 1 W W10 1 0.166635 0.500678 0.500258 1 W W11 1 0.249671 0.625608 0.500117 1 W W12 1 0.332672 0.749988 0.500100 1 W W13 1 0.416182 0.874639 0.500204 1 W W14 1 0.000392 -0.000526 0.500108 1 W W15 1 0.083333 0.124810 0.499762 1 W W16 1 0.166593 0.250076 0.499864 1 W W17 1 0.249867 0.375303 0.499908 1 W W18 1 0.333122 0.500435 0.499814 1 W W19 1 0.416469 0.625171 0.499753 1 W W20 1 0.499746 0.749948 0.499750 1 W W21 1 0.583333 0.874758 0.499866 1 W W22 1 0.166275 -0.000526 0.500108 1 W W23 1 0.249682 0.124687 0.499812 1 W W24 1 0.333131 0.249941 0.499869 1 W W25 1 0.416511 0.375153 0.499902 1 W W26 1 0.499937 0.500159 0.499873 1 W W27 1 0.583333 0.625125 0.499780 1 W W28 1 0.666920 0.749948 0.499750 1 W W29 1 0.750484 0.874639 0.500204 1 W W30 1 0.332747 -0.000394 0.500242 1 W W31 1 0.416408 0.124717 0.499922 1 W W32 1 0.499908 0.249885 0.499940 1 W W33 1 0.583333 0.375054 0.499959 1 W W34 1 0.666729 0.500159 0.499873 1 W W35 1 0.750197 0.625171 0.499753 1 W W36 1 0.833994 0.749988 0.500100 1 W W37 1 0.918269 0.874171 0.501738 1 W W38 1 0.499773 -0.000363 0.500028 1 W W39 1 0.583333 0.124704 0.499942 1 W W40 1 0.666759 0.249885 0.499940 1 W W41 1 0.750156 0.375153 0.499902 1 W W42 1 0.833545 0.500435 0.499814 1 W W43 1 0.916996 0.625608 0.500117 1 W W44 1 0.666894 -0.000363 0.500028 1 W W45 1 0.750259 0.124717 0.499922 1 W W46 1 0.833535 0.249941 0.499869 1 W W47 1 0.916800 0.375303 0.499908 1 W W48 1 0.833920 -0.000394 0.500242 1 W W49 1 0.916985 0.124687 0.499812 1 S S50 1 0.165512 0.914573 0.390749 1 S S51 1 0.083333 0.543057 0.390304 1 S S52 1 0.165162 0.668621 0.390754 1 S S53 1 0.247354 0.791827 0.390761 1 S S54 1 0.332060 0.915933 0.390301 1 S S55 1 0.083333 0.291953 0.389322 1 S S56 1 0.166538 0.417310 0.389456 1 S S57 1 0.249601 0.542343 0.389281 1 S S58 1 0.333008 0.666873 0.389129 1 S S59 1 0.415985 0.791601 0.389239 1 S S60 1 0.499601 0.916302 0.389386 1 S S61 1 0.083333 0.041344 0.389133 1 S S62 1 0.166589 0.166590 0.389142 1 S S63 1 0.249872 0.291840 0.389282 1 S S64 1 0.333166 0.416978 0.389279 1 S S65 1 0.416526 0.541851 0.389119 1 S S66 1 0.499884 0.666736 0.389029 1 S S67 1 0.583333 0.791545 0.389111 1 S S68 1 0.667065 0.916302 0.389386 1 S S69 1 0.249578 0.041058 0.389293 1 S S70 1 0.333082 0.166437 0.389296 1 S S71 1 0.416546 0.291665 0.389403 1 S S72 1 0.499948 0.416755 0.389362 1 S S73 1 0.583333 0.541778 0.389202 1 S S74 1 0.666782 0.666736 0.389029 1 S S75 1 0.750682 0.791601 0.389239 1 S S76 1 0.834607 0.915933 0.390301 1 S S77 1 0.416207 0.041175 0.389482 1 S S78 1 0.499871 0.166408 0.389423 1 S S79 1 0.583333 0.291598 0.389472 1 S S80 1 0.666719 0.416755 0.389362 1 S S81 1 0.750141 0.541851 0.389119 1 S S82 1 0.833659 0.666873 0.389129 1 S S83 1 0.919312 0.791827 0.390761 1 S S84 1 0.001155 0.914573 0.390749 1 S S85 1 0.583333 0.041263 0.389431 1 S S86 1 0.666796 0.166408 0.389423 1 S S87 1 0.750121 0.291665 0.389403 1 S S88 1 0.833501 0.416978 0.389278 1 S S89 1 0.917066 0.542343 0.389281 1 S S90 1 0.001505 0.668621 0.390754 1 S S91 1 0.750459 0.041175 0.389482 1 S S92 1 0.833584 0.166437 0.389296 1 S S93 1 0.916795 0.291840 0.389281 1 S S94 1 0.000129 0.417310 0.389456 1 S S95 1 0.917088 0.041058 0.389293 1 S S96 1 0.000078 0.166590 0.389142 1 S S97 1 0.083333 0.791685 0.614062 1 S S98 1 0.165666 0.916732 0.613117 1 S S99 1 0.083333 0.542245 0.611156 1 S S100 1 0.167237 0.667425 0.613128 1 S S101 1 0.249598 0.790864 0.613114 1 S S102 1 0.332882 0.916321 0.611122 1 S S103 1 0.083333 0.291847 0.610514 1 S S104 1 0.166655 0.417093 0.610702 1 S S105 1 0.250034 0.542239 0.610822 1 S S106 1 0.333210 0.666785 0.610730 1 S S107 1 0.416332 0.791332 0.610763 1 S S108 1 0.499856 0.916292 0.610644 1 S S109 1 0.083333 0.041518 0.610714 1 S S110 1 0.166541 0.166587 0.610467 1 S S111 1 0.249873 0.291814 0.610457 1 S S112 1 0.333187 0.417006 0.610465 1 S S113 1 0.416539 0.541904 0.610508 1 S S114 1 0.499899 0.666716 0.610476 1 S S115 1 0.583333 0.791460 0.610415 1 S S116 1 0.666811 0.916292 0.610644 1 S S117 1 0.249464 0.041418 0.610791 1 S S118 1 0.333026 0.166467 0.610433 1 S S119 1 0.416495 0.291671 0.610431 1 S S120 1 0.499913 0.416797 0.610506 1 S S121 1 0.583333 0.541830 0.610503 1 S S122 1 0.666768 0.666716 0.610476 1 S S123 1 0.750335 0.791332 0.610763 1 S S124 1 0.833784 0.916321 0.611122 1 S S125 1 0.416357 0.041341 0.610645 1 S S126 1 0.499854 0.166412 0.610451 1 S S127 1 0.583333 0.291593 0.610495 1 S S128 1 0.666754 0.416797 0.610506 1 S S129 1 0.750127 0.541904 0.610508 1 S S130 1 0.833456 0.666785 0.610730 1 S S131 1 0.917069 0.790864 0.613114 1 S S132 1 0.001001 0.916732 0.613117 1 S S133 1 0.583333 0.041313 0.610522 1 S S134 1 0.666812 0.166412 0.610451 1 S S135 1 0.750172 0.291671 0.610431 1 S S136 1 0.833480 0.417006 0.610465 1 S S137 1 0.916633 0.542239 0.610822 1 S S138 1 -0.000571 0.667425 0.613128 1 S S139 1 0.750310 0.041341 0.610645 1 S S140 1 0.833641 0.166467 0.610433 1 S S141 1 0.916794 0.291814 0.610457 1 S S142 1 0.000012 0.417093 0.610702 1 S S143 1 0.917202 0.041418 0.610791 1 S S144 1 0.000126 0.166587 0.610467 1