# 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 0.083790 0.791428 0.384872 1 W W2 1 0.000896 0.749687 0.506576 1 W W3 1 0.084140 0.874453 0.506599 1 W W4 1 -0.000118 0.500152 0.500466 1 W W5 1 0.082981 0.625578 0.503264 1 W W6 1 0.164890 0.750888 0.506174 1 W W7 1 0.249347 0.874928 0.503067 1 W W8 1 0.000059 0.249921 0.499151 1 W W9 1 0.083270 0.375071 0.499464 1 W W10 1 0.166463 0.500246 0.500231 1 W W11 1 0.249245 0.625562 0.500687 1 W W12 1 0.332483 0.750273 0.500427 1 W W13 1 0.416520 0.874952 0.499801 1 W W14 1 0.000427 -0.000556 0.500964 1 W W15 1 0.083420 0.124837 0.499737 1 W W16 1 0.166629 0.249965 0.499208 1 W W17 1 0.249839 0.375113 0.499151 1 W W18 1 0.332980 0.500307 0.499042 1 W W19 1 0.416267 0.625229 0.498875 1 W W20 1 0.499727 0.750067 0.498607 1 W W21 1 0.583425 0.874965 0.498725 1 W W22 1 0.166609 -0.000435 0.501364 1 W W23 1 0.249935 0.124843 0.499640 1 W W24 1 0.333243 0.250012 0.499057 1 W W25 1 0.416503 0.375140 0.498783 1 W W26 1 0.499790 0.500158 0.498605 1 W W27 1 0.583199 0.625109 0.498501 1 W W28 1 0.666857 0.750014 0.498655 1 W W29 1 0.750385 0.874785 0.499359 1 W W30 1 0.333247 -0.000041 0.500363 1 W W31 1 0.416683 0.124956 0.499292 1 W W32 1 0.499964 0.250019 0.498846 1 W W33 1 0.583266 0.375076 0.498686 1 W W34 1 0.666608 0.500108 0.498777 1 W W35 1 0.750040 0.625084 0.499287 1 W W36 1 0.833980 0.750017 0.500595 1 W W37 1 0.917916 0.874377 0.502298 1 W W38 1 0.500049 -0.000071 0.499255 1 W W39 1 0.583435 0.124939 0.498971 1 W W40 1 0.666750 0.249957 0.498829 1 W W41 1 0.750028 0.375025 0.498911 1 W W42 1 0.833379 0.500156 0.499448 1 W W43 1 0.916956 0.625315 0.501255 1 W W44 1 0.666909 -0.000141 0.498962 1 W W45 1 0.750213 0.124832 0.499012 1 W W46 1 0.833459 0.249902 0.498999 1 W W47 1 0.916691 0.375011 0.499293 1 W W48 1 0.833812 -0.000247 0.499671 1 W W49 1 0.916928 0.124715 0.499316 1 S S50 1 0.165375 0.914364 0.392359 1 S S51 1 0.083060 0.542817 0.390728 1 S S52 1 0.164011 0.669260 0.392454 1 S S53 1 0.246051 0.792304 0.392309 1 S S54 1 0.332144 0.916278 0.390491 1 S S55 1 0.083336 0.291764 0.388523 1 S S56 1 0.166399 0.417127 0.388874 1 S S57 1 0.249113 0.542536 0.389224 1 S S58 1 0.332109 0.667203 0.389185 1 S S59 1 0.415486 0.791796 0.388822 1 S S60 1 0.499636 0.916600 0.388503 1 S S61 1 0.083590 0.040935 0.389929 1 S S62 1 0.166647 0.166394 0.388765 1 S S63 1 0.249844 0.291710 0.388411 1 S S64 1 0.332969 0.416928 0.388282 1 S S65 1 0.416175 0.541926 0.388080 1 S S66 1 0.499585 0.666770 0.387880 1 S S67 1 0.583334 0.791668 0.387916 1 S S68 1 0.667162 0.916506 0.388251 1 S S69 1 0.249514 0.040957 0.389690 1 S S70 1 0.333156 0.166451 0.388638 1 S S71 1 0.416497 0.291677 0.388198 1 S S72 1 0.499824 0.416745 0.387973 1 S S73 1 0.583249 0.541723 0.387880 1 S S74 1 0.666922 0.666674 0.388024 1 S S75 1 0.751171 0.791510 0.388709 1 S S76 1 0.834978 0.915914 0.389924 1 S S77 1 0.416323 0.041429 0.388922 1 S S78 1 0.499939 0.166540 0.388334 1 S S79 1 0.583344 0.291623 0.388102 1 S S80 1 0.666732 0.416723 0.388086 1 S S81 1 0.750256 0.541828 0.388418 1 S S82 1 0.834167 0.666876 0.389634 1 S S83 1 0.920505 0.791255 0.392069 1 S S84 1 0.002387 0.914064 0.392171 1 S S85 1 0.583389 0.041520 0.388364 1 S S86 1 0.666848 0.166507 0.388244 1 S S87 1 0.750164 0.291624 0.388210 1 S S88 1 0.833520 0.416863 0.388506 1 S S89 1 0.917127 0.542411 0.389624 1 S S90 1 0.001624 0.668801 0.392383 1 S S91 1 0.750577 0.041330 0.388496 1 S S92 1 0.833681 0.166411 0.388408 1 S S93 1 0.916805 0.291682 0.388411 1 S S94 1 0.000034 0.417095 0.388997 1 S S95 1 0.917556 0.040852 0.389186 1 S S96 1 0.000255 0.166383 0.388622 1 S S97 1 0.083139 0.791747 0.617767 1 S S98 1 0.167307 0.917458 0.615397 1 S S99 1 0.083216 0.541031 0.611999 1 S S100 1 0.167037 0.666215 0.614460 1 S S101 1 0.250769 0.791599 0.614276 1 S S102 1 0.334123 0.916925 0.611680 1 S S103 1 0.083311 0.291585 0.609952 1 S S104 1 0.166670 0.416524 0.610310 1 S S105 1 0.250118 0.541757 0.610574 1 S S106 1 0.333370 0.666739 0.610453 1 S S107 1 0.416859 0.791493 0.610136 1 S S108 1 0.500371 0.916579 0.609910 1 S S109 1 0.083323 0.041889 0.611283 1 S S110 1 0.166690 0.166777 0.610251 1 S S111 1 0.249973 0.291720 0.609814 1 S S112 1 0.333274 0.416836 0.609628 1 S S113 1 0.416576 0.541857 0.609477 1 S S114 1 0.499905 0.666739 0.609268 1 S S115 1 0.583314 0.791587 0.609192 1 S S116 1 0.666704 0.916529 0.609623 1 S S117 1 0.250156 0.041940 0.611140 1 S S118 1 0.333411 0.166767 0.609988 1 S S119 1 0.416645 0.291803 0.609554 1 S S120 1 0.499909 0.416823 0.609357 1 S S121 1 0.583144 0.541815 0.609289 1 S S122 1 0.666373 0.666753 0.609466 1 S S123 1 0.749740 0.791561 0.610135 1 S S124 1 0.833180 0.916624 0.610723 1 S S125 1 0.417051 0.041789 0.610343 1 S S126 1 0.500144 0.166746 0.609711 1 S S127 1 0.583350 0.291730 0.609432 1 S S128 1 0.666565 0.416737 0.609440 1 S S129 1 0.749713 0.541692 0.609874 1 S S130 1 0.832835 0.666642 0.610939 1 S S131 1 0.915880 0.791573 0.614387 1 S S132 1 -0.000261 0.917145 0.614528 1 S S133 1 0.583581 0.041611 0.609702 1 S S134 1 0.666803 0.166626 0.609609 1 S S135 1 0.750032 0.291632 0.609586 1 S S136 1 0.833205 0.416612 0.609868 1 S S137 1 0.916248 0.541487 0.611076 1 S S138 1 -0.000662 0.665846 0.615434 1 S S139 1 0.750091 0.041560 0.609850 1 S S140 1 0.833445 0.166556 0.609758 1 S S141 1 0.916681 0.291557 0.609837 1 S S142 1 -0.000127 0.416397 0.610455 1 S S143 1 0.916734 0.041693 0.610643 1 S S144 1 0.000001 0.166692 0.610101 1