# generated using pymatgen data_CoW48S95 _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 CoW48S95 _chemical_formula_sum 'Co1 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 Co Co1 1 0.080985 0.792910 0.380955 1 W W2 1 0.001700 0.750970 0.508795 1 W W3 1 0.083176 0.873241 0.508821 1 W W4 1 0.000018 0.500335 0.500225 1 W W5 1 0.083465 0.625939 0.503934 1 W W6 1 0.165036 0.750800 0.507944 1 W W7 1 0.249116 0.874435 0.503919 1 W W8 1 0.000096 0.250080 0.498814 1 W W9 1 0.083414 0.375252 0.499183 1 W W10 1 0.166807 0.500340 0.500202 1 W W11 1 0.249505 0.625632 0.500947 1 W W12 1 0.332471 0.750027 0.500853 1 W W13 1 0.416462 0.874678 0.500051 1 W W14 1 0.000284 -0.000644 0.501450 1 W W15 1 0.083373 0.124902 0.499590 1 W W16 1 0.166696 0.250078 0.498867 1 W W17 1 0.250029 0.375167 0.498729 1 W W18 1 0.333240 0.500288 0.498779 1 W W19 1 0.416517 0.625045 0.498815 1 W W20 1 0.499752 0.749841 0.498699 1 W W21 1 0.583309 0.874782 0.499019 1 W W22 1 0.166384 -0.000572 0.501470 1 W W23 1 0.249863 0.124848 0.499304 1 W W24 1 0.333305 0.250008 0.498482 1 W W25 1 0.416661 0.375086 0.498113 1 W W26 1 0.499980 0.500045 0.497931 1 W W27 1 0.583340 0.624969 0.498060 1 W W28 1 0.666841 0.749842 0.498829 1 W W29 1 0.750145 0.874730 0.500389 1 W W30 1 0.333056 -0.000176 0.500318 1 W W31 1 0.416580 0.124871 0.498866 1 W W32 1 0.499993 0.249960 0.498219 1 W W33 1 0.583375 0.375017 0.497863 1 W W34 1 0.666738 0.500045 0.497940 1 W W35 1 0.750182 0.625040 0.498928 1 W W36 1 0.834133 0.750080 0.501161 1 W W37 1 0.917365 0.874622 0.504417 1 W W38 1 0.499882 -0.000233 0.499206 1 W W39 1 0.583355 0.124873 0.498608 1 W W40 1 0.666753 0.249968 0.498155 1 W W41 1 0.750101 0.375078 0.498025 1 W W42 1 0.833480 0.500248 0.498787 1 W W43 1 0.917163 0.625526 0.501201 1 W W44 1 0.666767 -0.000209 0.499320 1 W W45 1 0.750126 0.124902 0.498869 1 W W46 1 0.833477 0.250020 0.498369 1 W W47 1 0.916770 0.375175 0.498665 1 W W48 1 0.833588 -0.000123 0.500545 1 W W49 1 0.916877 0.124859 0.499278 1 S S50 1 0.164945 0.913573 0.393825 1 S S51 1 0.083418 0.543225 0.391054 1 S S52 1 0.164374 0.669621 0.393126 1 S S53 1 0.245884 0.791930 0.393091 1 S S54 1 0.331830 0.915862 0.391022 1 S S55 1 0.083423 0.291914 0.388229 1 S S56 1 0.166569 0.417326 0.388628 1 S S57 1 0.249342 0.542700 0.389231 1 S S58 1 0.332342 0.667125 0.389404 1 S S59 1 0.415395 0.791578 0.389121 1 S S60 1 0.499520 0.916331 0.388657 1 S S61 1 0.083306 0.040783 0.390058 1 S S62 1 0.166567 0.166428 0.388498 1 S S63 1 0.249880 0.291763 0.387912 1 S S64 1 0.333099 0.416998 0.387760 1 S S65 1 0.416295 0.541915 0.387655 1 S S66 1 0.499636 0.666725 0.387657 1 S S67 1 0.583339 0.791557 0.388076 1 S S68 1 0.667191 0.916336 0.388821 1 S S69 1 0.249336 0.040768 0.389667 1 S S70 1 0.333078 0.166351 0.388148 1 S S71 1 0.416559 0.291595 0.387512 1 S S72 1 0.499925 0.416674 0.387152 1 S S73 1 0.583360 0.541720 0.387121 1 S S74 1 0.667085 0.666745 0.387752 1 S S75 1 0.751227 0.791643 0.389394 1 S S76 1 0.834708 0.915940 0.391336 1 S S77 1 0.416154 0.041172 0.388747 1 S S78 1 0.499887 0.166375 0.387821 1 S S79 1 0.583351 0.291509 0.387335 1 S S80 1 0.666810 0.416693 0.387123 1 S S81 1 0.750424 0.541940 0.387710 1 S S82 1 0.834394 0.667202 0.389636 1 S S83 1 0.920797 0.792313 0.393666 1 S S84 1 0.001400 0.913330 0.393752 1 S S85 1 0.583364 0.041253 0.388351 1 S S86 1 0.666827 0.166369 0.387793 1 S S87 1 0.750195 0.291591 0.387409 1 S S88 1 0.833684 0.417002 0.387705 1 S S89 1 0.917404 0.542676 0.389338 1 S S90 1 0.002363 0.669560 0.393723 1 S S91 1 0.750529 0.041159 0.388870 1 S S92 1 0.833657 0.166331 0.388098 1 S S93 1 0.916939 0.291775 0.387829 1 S S94 1 0.000277 0.417344 0.388624 1 S S95 1 0.917293 0.040741 0.389722 1 S S96 1 0.000203 0.166413 0.388471 1 S S97 1 0.083431 0.791600 0.620782 1 S S98 1 0.167112 0.917549 0.615481 1 S S99 1 0.083458 0.540943 0.611894 1 S S100 1 0.167477 0.666230 0.615393 1 S S101 1 0.250868 0.791252 0.615335 1 S S102 1 0.334179 0.916856 0.611831 1 S S103 1 0.083383 0.291743 0.609639 1 S S104 1 0.166949 0.416488 0.610089 1 S S105 1 0.250504 0.541632 0.610608 1 S S106 1 0.333802 0.666439 0.610687 1 S S107 1 0.416991 0.791258 0.610438 1 S S108 1 0.500254 0.916501 0.610076 1 S S109 1 0.083345 0.042091 0.611295 1 S S110 1 0.166751 0.166913 0.609940 1 S S111 1 0.250173 0.291749 0.609376 1 S S112 1 0.333569 0.416719 0.609200 1 S S113 1 0.416950 0.541569 0.609212 1 S S114 1 0.500178 0.666447 0.609183 1 S S115 1 0.583249 0.791334 0.609409 1 S S116 1 0.666257 0.916537 0.610238 1 S S117 1 0.250073 0.042038 0.610935 1 S S118 1 0.333414 0.166830 0.609538 1 S S119 1 0.416764 0.291770 0.608970 1 S S120 1 0.500120 0.416696 0.608678 1 S S121 1 0.583350 0.541581 0.608651 1 S S122 1 0.666449 0.666409 0.609256 1 S S123 1 0.749522 0.791225 0.610667 1 S S124 1 0.832323 0.917042 0.612348 1 S S125 1 0.416892 0.041821 0.610135 1 S S126 1 0.500069 0.166753 0.609238 1 S S127 1 0.583391 0.291745 0.608786 1 S S128 1 0.666658 0.416678 0.608642 1 S S129 1 0.749752 0.541518 0.609250 1 S S130 1 0.832849 0.666380 0.610886 1 S S131 1 0.915517 0.791304 0.615676 1 S S132 1 -0.000255 0.917625 0.615762 1 S S133 1 0.583293 0.041689 0.609665 1 S S134 1 0.666645 0.166792 0.609218 1 S S135 1 0.750018 0.291769 0.608857 1 S S136 1 0.833182 0.416669 0.609147 1 S S137 1 0.916219 0.541469 0.610670 1 S S138 1 -0.000692 0.665867 0.615425 1 S S139 1 0.749738 0.041915 0.610257 1 S S140 1 0.833335 0.166877 0.609471 1 S S141 1 0.916608 0.291758 0.609289 1 S S142 1 -0.000140 0.416473 0.610067 1 S S143 1 0.916710 0.042087 0.610977 1 S S144 1 0.000006 0.166927 0.609900 1