# generated using pymatgen data_SbW48S95 _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 SbW48S95 _chemical_formula_sum 'Sb1 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 Sb Sb1 1 0.083333 0.792996 0.350819 1 W W2 1 0.001253 0.748495 0.500823 1 W W3 1 0.083334 0.876134 0.498985 1 W W4 1 -0.000127 0.499559 0.500711 1 W W5 1 0.083333 0.624868 0.501094 1 W W6 1 0.165414 0.748495 0.500824 1 W W7 1 0.249403 0.875653 0.499979 1 W W8 1 -0.000034 0.250093 0.500207 1 W W9 1 0.083333 0.374884 0.500277 1 W W10 1 0.166793 0.499559 0.500711 1 W W11 1 0.249985 0.624501 0.500923 1 W W12 1 0.333108 0.749963 0.500240 1 W W13 1 0.416563 0.874967 0.500111 1 W W14 1 -0.000083 0.000714 0.501020 1 W W15 1 0.083333 0.125413 0.500735 1 W W16 1 0.166700 0.250093 0.500207 1 W W17 1 0.250060 0.374875 0.500153 1 W W18 1 0.333473 0.499811 0.500355 1 W W19 1 0.416678 0.624889 0.500339 1 W W20 1 0.499898 0.750022 0.500163 1 W W21 1 0.583333 0.874979 0.500188 1 W W22 1 0.166751 0.000714 0.501020 1 W W23 1 0.250156 0.125290 0.500529 1 W W24 1 0.333432 0.250070 0.500011 1 W W25 1 0.416754 0.374927 0.499935 1 W W26 1 0.500019 0.499980 0.500075 1 W W27 1 0.583333 0.625052 0.500166 1 W W28 1 0.666769 0.750022 0.500162 1 W W29 1 0.750104 0.874966 0.500110 1 W W30 1 0.333456 0.000165 0.500447 1 W W31 1 0.416747 0.125033 0.500129 1 W W32 1 0.500025 0.249992 0.499821 1 W W33 1 0.583333 0.375018 0.499844 1 W W34 1 0.666647 0.499980 0.500075 1 W W35 1 0.749988 0.624888 0.500339 1 W W36 1 0.833558 0.749962 0.500240 1 W W37 1 0.917264 0.875653 0.499979 1 W W38 1 0.500014 -0.000004 0.500140 1 W W39 1 0.583333 0.125000 0.499926 1 W W40 1 0.666642 0.249991 0.499821 1 W W41 1 0.749912 0.374927 0.499935 1 W W42 1 0.833193 0.499811 0.500355 1 W W43 1 0.916681 0.624501 0.500924 1 W W44 1 0.666653 -0.000004 0.500139 1 W W45 1 0.749920 0.125033 0.500129 1 W W46 1 0.833234 0.250070 0.500011 1 W W47 1 0.916606 0.374875 0.500154 1 W W48 1 0.833211 0.000165 0.500446 1 W W49 1 0.916511 0.125289 0.500528 1 S S50 1 0.166937 0.917987 0.389091 1 S S51 1 0.083333 0.541410 0.390321 1 S S52 1 0.166367 0.665570 0.389799 1 S S53 1 0.248733 0.791642 0.390278 1 S S54 1 0.333263 0.916846 0.389539 1 S S55 1 0.083333 0.291676 0.389374 1 S S56 1 0.166656 0.416528 0.389534 1 S S57 1 0.249966 0.541314 0.389922 1 S S58 1 0.333112 0.666474 0.389865 1 S S59 1 0.416419 0.791624 0.389413 1 S S60 1 0.499975 0.916621 0.389435 1 S S61 1 0.083334 0.042227 0.390200 1 S S62 1 0.166699 0.166758 0.389704 1 S S63 1 0.249995 0.291641 0.389280 1 S S64 1 0.333356 0.416608 0.389357 1 S S65 1 0.416627 0.541644 0.389456 1 S S66 1 0.499906 0.666661 0.389511 1 S S67 1 0.583333 0.791649 0.389457 1 S S68 1 0.666692 0.916620 0.389434 1 S S69 1 0.250094 0.041990 0.389949 1 S S70 1 0.333373 0.166700 0.389427 1 S S71 1 0.416685 0.291655 0.389094 1 S S72 1 0.499993 0.416717 0.389159 1 S S73 1 0.583333 0.541747 0.389353 1 S S74 1 0.666760 0.666661 0.389510 1 S S75 1 0.750248 0.791623 0.389412 1 S S76 1 0.833404 0.916846 0.389539 1 S S77 1 0.416674 0.041660 0.389444 1 S S78 1 0.499977 0.166603 0.389167 1 S S79 1 0.583333 0.291678 0.389067 1 S S80 1 0.666673 0.416717 0.389160 1 S S81 1 0.750039 0.541644 0.389456 1 S S82 1 0.833555 0.666473 0.389865 1 S S83 1 0.917933 0.791641 0.390277 1 S S84 1 -0.000270 0.917986 0.389091 1 S S85 1 0.583333 0.041588 0.389301 1 S S86 1 0.666689 0.166603 0.389166 1 S S87 1 0.749981 0.291654 0.389094 1 S S88 1 0.833311 0.416608 0.389358 1 S S89 1 0.916701 0.541313 0.389922 1 S S90 1 0.000298 0.665570 0.389798 1 S S91 1 0.749993 0.041660 0.389443 1 S S92 1 0.833293 0.166700 0.389426 1 S S93 1 0.916671 0.291641 0.389280 1 S S94 1 0.000010 0.416528 0.389534 1 S S95 1 0.916573 0.041990 0.389949 1 S S96 1 -0.000033 0.166757 0.389704 1 S S97 1 0.083333 0.792241 0.608642 1 S S98 1 0.166849 0.917024 0.611098 1 S S99 1 0.083333 0.541164 0.611500 1 S S100 1 0.166949 0.666106 0.612274 1 S S101 1 0.249222 0.791623 0.610546 1 S S102 1 0.333151 0.916585 0.610783 1 S S103 1 0.083333 0.291638 0.610988 1 S S104 1 0.166761 0.416251 0.611216 1 S S105 1 0.250225 0.541120 0.611497 1 S S106 1 0.333410 0.666691 0.611084 1 S S107 1 0.416424 0.791656 0.610893 1 S S108 1 0.499926 0.916622 0.610860 1 S S109 1 0.083333 0.042249 0.611763 1 S S110 1 0.166828 0.166997 0.611304 1 S S111 1 0.250123 0.291632 0.610880 1 S S112 1 0.333496 0.416421 0.610893 1 S S113 1 0.416821 0.541562 0.611049 1 S S114 1 0.499989 0.666694 0.610963 1 S S115 1 0.583334 0.791635 0.610906 1 S S116 1 0.666742 0.916622 0.610859 1 S S117 1 0.250371 0.042043 0.611463 1 S S118 1 0.333615 0.166900 0.611007 1 S S119 1 0.416807 0.291651 0.610693 1 S S120 1 0.500058 0.416598 0.610697 1 S S121 1 0.583333 0.541662 0.610820 1 S S122 1 0.666677 0.666694 0.610962 1 S S123 1 0.750242 0.791655 0.610892 1 S S124 1 0.833516 0.916585 0.610782 1 S S125 1 0.416854 0.041740 0.611034 1 S S126 1 0.500107 0.166730 0.610703 1 S S127 1 0.583333 0.291670 0.610542 1 S S128 1 0.666608 0.416597 0.610697 1 S S129 1 0.749845 0.541561 0.611049 1 S S130 1 0.833256 0.666691 0.611084 1 S S131 1 0.917445 0.791623 0.610545 1 S S132 1 -0.000182 0.917023 0.611097 1 S S133 1 0.583334 0.041709 0.610803 1 S S134 1 0.666560 0.166730 0.610703 1 S S135 1 0.749859 0.291650 0.610693 1 S S136 1 0.833170 0.416421 0.610894 1 S S137 1 0.916442 0.541119 0.611497 1 S S138 1 -0.000282 0.666106 0.612274 1 S S139 1 0.749813 0.041740 0.611033 1 S S140 1 0.833052 0.166900 0.611007 1 S S141 1 0.916544 0.291632 0.610880 1 S S142 1 -0.000094 0.416251 0.611217 1 S S143 1 0.916296 0.042043 0.611462 1 S S144 1 -0.000161 0.166997 0.611304 1