# generated using pymatgen data_MoW47S96 _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 MoW47S96 _chemical_formula_sum 'Mo1 W47 S96' _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 Mo Mo1 1 -0.000000 0.750011 0.500000 1 W W2 1 0.083479 0.874855 0.500000 1 W W3 1 0.000000 0.499945 0.500000 1 W W4 1 0.083114 0.624967 0.500000 1 W W5 1 0.166590 0.750184 0.500000 1 W W6 1 0.250057 0.875030 0.500000 1 W W7 1 0.000000 0.250003 0.500000 1 W W8 1 0.083330 0.375003 0.500000 1 W W9 1 0.166694 0.499996 0.500000 1 W W10 1 0.249963 0.625021 0.500000 1 W W11 1 0.333351 0.749985 0.500000 1 W W12 1 0.416664 0.875004 0.500000 1 W W13 1 -0.000000 -0.000034 0.500000 1 W W14 1 0.083330 0.124999 0.500000 1 W W15 1 0.166667 0.250002 0.500000 1 W W16 1 0.249998 0.375001 0.500000 1 W W17 1 0.333332 0.500005 0.500000 1 W W18 1 0.416663 0.625001 0.500000 1 W W19 1 0.500000 0.750005 0.500000 1 W W20 1 0.583336 0.875004 0.500000 1 W W21 1 0.166659 0.000027 0.500000 1 W W22 1 0.250002 0.125001 0.500000 1 W W23 1 0.333333 0.250002 0.500000 1 W W24 1 0.416667 0.375002 0.500000 1 W W25 1 0.500000 0.500001 0.500000 1 W W26 1 0.583337 0.625001 0.500000 1 W W27 1 0.666649 0.749985 0.500000 1 W W28 1 0.749943 0.875030 0.500000 1 W W29 1 0.333334 -0.000001 0.500000 1 W W30 1 0.416666 0.125002 0.500000 1 W W31 1 0.500000 0.250002 0.500000 1 W W32 1 0.583333 0.375002 0.500000 1 W W33 1 0.666668 0.500005 0.500000 1 W W34 1 0.750037 0.625021 0.500000 1 W W35 1 0.833410 0.750184 0.500000 1 W W36 1 0.916521 0.874855 0.500000 1 W W37 1 0.500000 0.000001 0.500000 1 W W38 1 0.583334 0.125002 0.500000 1 W W39 1 0.666667 0.250002 0.500000 1 W W40 1 0.750002 0.375001 0.500000 1 W W41 1 0.833306 0.499996 0.500000 1 W W42 1 0.916886 0.624967 0.500000 1 W W43 1 0.666666 -0.000001 0.500000 1 W W44 1 0.749998 0.125001 0.500000 1 W W45 1 0.833333 0.250002 0.500000 1 W W46 1 0.916670 0.375003 0.500000 1 W W47 1 0.833341 0.000027 0.500000 1 W W48 1 0.916670 0.124999 0.500000 1 S S49 1 0.083483 0.791742 0.389356 1 S S50 1 0.166698 0.916674 0.389280 1 S S51 1 0.083326 0.541638 0.389281 1 S S52 1 0.166540 0.666729 0.389387 1 S S53 1 0.250024 0.791686 0.389279 1 S S54 1 0.333330 0.916664 0.389245 1 S S55 1 0.083333 0.291666 0.389253 1 S S56 1 0.166664 0.416659 0.389244 1 S S57 1 0.249998 0.541670 0.389255 1 S S58 1 0.333328 0.666666 0.389256 1 S S59 1 0.416673 0.791671 0.389245 1 S S60 1 0.500000 0.916666 0.389252 1 S S61 1 0.083330 0.041662 0.389255 1 S S62 1 0.166666 0.166666 0.389252 1 S S63 1 0.250000 0.291666 0.389253 1 S S64 1 0.333334 0.416666 0.389252 1 S S65 1 0.416667 0.541665 0.389253 1 S S66 1 0.500000 0.666663 0.389251 1 S S67 1 0.583327 0.791671 0.389245 1 S S68 1 0.666670 0.916664 0.389245 1 S S69 1 0.250007 0.041667 0.389244 1 S S70 1 0.333333 0.166666 0.389253 1 S S71 1 0.416667 0.291666 0.389252 1 S S72 1 0.500000 0.416665 0.389252 1 S S73 1 0.583333 0.541665 0.389253 1 S S74 1 0.666672 0.666666 0.389256 1 S S75 1 0.749976 0.791686 0.389279 1 S S76 1 0.833302 0.916674 0.389280 1 S S77 1 0.416667 0.041665 0.389252 1 S S78 1 0.500000 0.166666 0.389253 1 S S79 1 0.583333 0.291666 0.389252 1 S S80 1 0.666666 0.416666 0.389252 1 S S81 1 0.750002 0.541670 0.389255 1 S S82 1 0.833460 0.666729 0.389387 1 S S83 1 0.916517 0.791742 0.389356 1 S S84 1 -0.000000 0.916539 0.389388 1 S S85 1 0.583333 0.041665 0.389252 1 S S86 1 0.666667 0.166666 0.389253 1 S S87 1 0.750000 0.291666 0.389253 1 S S88 1 0.833336 0.416659 0.389244 1 S S89 1 0.916674 0.541638 0.389281 1 S S90 1 0.000000 0.666516 0.389362 1 S S91 1 0.749993 0.041667 0.389244 1 S S92 1 0.833334 0.166666 0.389252 1 S S93 1 0.916667 0.291666 0.389253 1 S S94 1 0.000000 0.416670 0.389245 1 S S95 1 0.916670 0.041662 0.389255 1 S S96 1 -0.000000 0.166666 0.389252 1 S S97 1 0.083483 0.791742 0.610644 1 S S98 1 0.166698 0.916674 0.610720 1 S S99 1 0.083326 0.541638 0.610719 1 S S100 1 0.166540 0.666729 0.610613 1 S S101 1 0.250024 0.791686 0.610721 1 S S102 1 0.333330 0.916664 0.610755 1 S S103 1 0.083333 0.291666 0.610747 1 S S104 1 0.166664 0.416659 0.610756 1 S S105 1 0.249998 0.541670 0.610745 1 S S106 1 0.333328 0.666666 0.610744 1 S S107 1 0.416673 0.791671 0.610755 1 S S108 1 0.500000 0.916666 0.610748 1 S S109 1 0.083330 0.041662 0.610745 1 S S110 1 0.166666 0.166666 0.610748 1 S S111 1 0.250000 0.291666 0.610747 1 S S112 1 0.333334 0.416666 0.610748 1 S S113 1 0.416667 0.541665 0.610747 1 S S114 1 0.500000 0.666663 0.610749 1 S S115 1 0.583327 0.791671 0.610755 1 S S116 1 0.666670 0.916664 0.610755 1 S S117 1 0.250007 0.041667 0.610756 1 S S118 1 0.333333 0.166666 0.610747 1 S S119 1 0.416667 0.291666 0.610748 1 S S120 1 0.500000 0.416665 0.610748 1 S S121 1 0.583333 0.541665 0.610747 1 S S122 1 0.666672 0.666666 0.610744 1 S S123 1 0.749976 0.791686 0.610721 1 S S124 1 0.833302 0.916674 0.610720 1 S S125 1 0.416667 0.041665 0.610748 1 S S126 1 0.500000 0.166666 0.610747 1 S S127 1 0.583333 0.291666 0.610748 1 S S128 1 0.666666 0.416666 0.610748 1 S S129 1 0.750002 0.541670 0.610745 1 S S130 1 0.833460 0.666729 0.610613 1 S S131 1 0.916517 0.791742 0.610644 1 S S132 1 -0.000000 0.916539 0.610612 1 S S133 1 0.583333 0.041665 0.610748 1 S S134 1 0.666667 0.166666 0.610747 1 S S135 1 0.750000 0.291666 0.610747 1 S S136 1 0.833336 0.416659 0.610756 1 S S137 1 0.916674 0.541638 0.610719 1 S S138 1 -0.000000 0.666516 0.610638 1 S S139 1 0.749993 0.041667 0.610756 1 S S140 1 0.833334 0.166666 0.610748 1 S S141 1 0.916667 0.291666 0.610747 1 S S142 1 0.000000 0.416670 0.610755 1 S S143 1 0.916670 0.041662 0.610745 1 S S144 1 0.000000 0.166666 0.610748 1