# generated using pymatgen data_LiW47S96 _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 LiW47S96 _chemical_formula_sum 'Li1 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 Li Li1 1 -0.000001 0.749046 0.500000 1 W W2 1 0.085440 0.876079 0.500001 1 W W3 1 -0.000000 0.497617 0.499998 1 W W4 1 0.081945 0.621050 0.499999 1 W W5 1 0.168363 0.753414 0.500000 1 W W6 1 0.251687 0.876012 0.500001 1 W W7 1 0.000000 0.249498 0.500001 1 W W8 1 0.083520 0.373885 0.499997 1 W W9 1 0.167457 0.498494 0.499996 1 W W10 1 0.249307 0.625462 0.499997 1 W W11 1 0.334558 0.750125 0.499999 1 W W12 1 0.417122 0.875580 0.500003 1 W W13 1 0.000000 -0.000095 0.500005 1 W W14 1 0.083420 0.124943 0.500004 1 W W15 1 0.166920 0.249659 0.500000 1 W W16 1 0.250381 0.374473 0.499997 1 W W17 1 0.333282 0.499996 0.499997 1 W W18 1 0.416501 0.625090 0.499998 1 W W19 1 0.500000 0.750172 0.500000 1 W W20 1 0.582878 0.875580 0.500003 1 W W21 1 0.167534 0.001214 0.500003 1 W W22 1 0.250465 0.125388 0.500003 1 W W23 1 0.333603 0.250096 0.500002 1 W W24 1 0.416706 0.375149 0.500000 1 W W25 1 0.500000 0.500094 0.499999 1 W W26 1 0.583499 0.625090 0.500000 1 W W27 1 0.665442 0.750126 0.500002 1 W W28 1 0.748313 0.876012 0.500004 1 W W29 1 0.333936 0.000674 0.500004 1 W W30 1 0.416874 0.125472 0.500004 1 W W31 1 0.500000 0.250374 0.500004 1 W W32 1 0.583294 0.375149 0.500001 1 W W33 1 0.666718 0.499996 0.500000 1 W W34 1 0.750693 0.625462 0.500000 1 W W35 1 0.831636 0.753415 0.500000 1 W W36 1 0.914560 0.876080 0.500002 1 W W37 1 0.500000 0.000562 0.500006 1 W W38 1 0.583126 0.125472 0.500006 1 W W39 1 0.666397 0.250096 0.500004 1 W W40 1 0.749619 0.374473 0.500000 1 W W41 1 0.832543 0.498494 0.499999 1 W W42 1 0.918056 0.621049 0.499999 1 W W43 1 0.666064 0.000674 0.500006 1 W W44 1 0.749535 0.125387 0.500007 1 W W45 1 0.833080 0.249659 0.500002 1 W W46 1 0.916480 0.373885 0.499998 1 W W47 1 0.832466 0.001214 0.500006 1 W W48 1 0.916580 0.124943 0.500005 1 S S49 1 0.087913 0.793946 0.389415 1 S S50 1 0.168420 0.918281 0.389361 1 S S51 1 0.083930 0.538387 0.389054 1 S S52 1 0.164432 0.667393 0.391059 1 S S53 1 0.252625 0.792738 0.389031 1 S S54 1 0.334326 0.917535 0.388891 1 S S55 1 0.083480 0.290872 0.389115 1 S S56 1 0.167058 0.415431 0.389080 1 S S57 1 0.249966 0.541849 0.389369 1 S S58 1 0.333053 0.666728 0.389233 1 S S59 1 0.417303 0.792098 0.389131 1 S S60 1 0.500000 0.917296 0.389045 1 S S61 1 0.083397 0.041777 0.389186 1 S S62 1 0.166828 0.166533 0.389167 1 S S63 1 0.250255 0.291346 0.389120 1 S S64 1 0.333414 0.416692 0.389183 1 S S65 1 0.416619 0.541715 0.389304 1 S S66 1 0.500000 0.666658 0.389307 1 S S67 1 0.582696 0.792098 0.389130 1 S S68 1 0.665674 0.917536 0.388890 1 S S69 1 0.250762 0.042404 0.388994 1 S S70 1 0.333659 0.166988 0.389077 1 S S71 1 0.416744 0.291926 0.389144 1 S S72 1 0.500000 0.416812 0.389214 1 S S73 1 0.583381 0.541715 0.389303 1 S S74 1 0.666947 0.666728 0.389232 1 S S75 1 0.747374 0.792739 0.389029 1 S S76 1 0.831580 0.918281 0.389360 1 S S77 1 0.416972 0.042290 0.389075 1 S S78 1 0.500000 0.167168 0.389120 1 S S79 1 0.583256 0.291926 0.389143 1 S S80 1 0.666586 0.416692 0.389181 1 S S81 1 0.750034 0.541849 0.389368 1 S S82 1 0.835569 0.667393 0.391059 1 S S83 1 0.912087 0.793947 0.389414 1 S S84 1 0.000000 0.916209 0.389920 1 S S85 1 0.583028 0.042290 0.389074 1 S S86 1 0.666341 0.166988 0.389076 1 S S87 1 0.749745 0.291345 0.389118 1 S S88 1 0.832943 0.415431 0.389079 1 S S89 1 0.916070 0.538387 0.389053 1 S S90 1 -0.000000 0.659827 0.388578 1 S S91 1 0.749238 0.042404 0.388993 1 S S92 1 0.833173 0.166533 0.389166 1 S S93 1 0.916520 0.290872 0.389114 1 S S94 1 0.000000 0.414908 0.388927 1 S S95 1 0.916603 0.041777 0.389186 1 S S96 1 0.000000 0.166388 0.389167 1 S S97 1 0.087913 0.793946 0.610585 1 S S98 1 0.168420 0.918281 0.610636 1 S S99 1 0.083930 0.538387 0.610949 1 S S100 1 0.164431 0.667393 0.608943 1 S S101 1 0.252625 0.792739 0.610969 1 S S102 1 0.334325 0.917537 0.611105 1 S S103 1 0.083480 0.290872 0.610886 1 S S104 1 0.167058 0.415431 0.610923 1 S S105 1 0.249966 0.541848 0.610633 1 S S106 1 0.333053 0.666728 0.610768 1 S S107 1 0.417303 0.792098 0.610870 1 S S108 1 0.500000 0.917296 0.610951 1 S S109 1 0.083397 0.041777 0.610810 1 S S110 1 0.166827 0.166533 0.610831 1 S S111 1 0.250255 0.291345 0.610881 1 S S112 1 0.333414 0.416692 0.610819 1 S S113 1 0.416619 0.541715 0.610697 1 S S114 1 0.500000 0.666657 0.610694 1 S S115 1 0.582697 0.792098 0.610869 1 S S116 1 0.665674 0.917537 0.611104 1 S S117 1 0.250762 0.042404 0.611002 1 S S118 1 0.333659 0.166987 0.610920 1 S S119 1 0.416745 0.291926 0.610855 1 S S120 1 0.500000 0.416811 0.610786 1 S S121 1 0.583381 0.541715 0.610697 1 S S122 1 0.666947 0.666728 0.610767 1 S S123 1 0.747374 0.792739 0.610968 1 S S124 1 0.831580 0.918282 0.610636 1 S S125 1 0.416972 0.042289 0.610921 1 S S126 1 0.500000 0.167168 0.610875 1 S S127 1 0.583255 0.291926 0.610855 1 S S128 1 0.666586 0.416692 0.610818 1 S S129 1 0.750034 0.541849 0.610632 1 S S130 1 0.835569 0.667394 0.608941 1 S S131 1 0.912086 0.793947 0.610585 1 S S132 1 -0.000000 0.916210 0.610077 1 S S133 1 0.583028 0.042290 0.610921 1 S S134 1 0.666341 0.166987 0.610919 1 S S135 1 0.749745 0.291345 0.610880 1 S S136 1 0.832942 0.415431 0.610922 1 S S137 1 0.916069 0.538387 0.610949 1 S S138 1 -0.000000 0.659828 0.611422 1 S S139 1 0.749238 0.042404 0.611000 1 S S140 1 0.833173 0.166533 0.610830 1 S S141 1 0.916520 0.290872 0.610885 1 S S142 1 -0.000000 0.414907 0.611077 1 S S143 1 0.916603 0.041777 0.610809 1 S S144 1 -0.000000 0.166387 0.610830 1