# 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 0.083333 0.788798 0.378497 1 W W2 1 0.001683 0.750846 0.507380 1 W W3 1 0.083334 0.873310 0.506358 1 W W4 1 -0.000018 0.500514 0.500206 1 W W5 1 0.083333 0.625849 0.503529 1 W W6 1 0.164983 0.750846 0.507380 1 W W7 1 0.249020 0.874529 0.503080 1 W W8 1 0.000042 0.249985 0.499025 1 W W9 1 0.083334 0.375230 0.499342 1 W W10 1 0.166685 0.500514 0.500206 1 W W11 1 0.249381 0.625707 0.500595 1 W W12 1 0.332550 0.750190 0.500512 1 W W13 1 0.416322 0.874756 0.499847 1 W W14 1 0.000350 -0.000836 0.500619 1 W W15 1 0.083333 0.124605 0.499246 1 W W16 1 0.166625 0.249985 0.499025 1 W W17 1 0.249952 0.375210 0.499144 1 W W18 1 0.333142 0.500478 0.499052 1 W W19 1 0.416290 0.625333 0.498774 1 W W20 1 0.499778 0.749984 0.498571 1 W W21 1 0.583333 0.874804 0.498945 1 W W22 1 0.166317 -0.000836 0.500619 1 W W23 1 0.249705 0.124636 0.499300 1 W W24 1 0.333191 0.249927 0.499184 1 W W25 1 0.416537 0.375230 0.499018 1 W W26 1 0.499962 0.500262 0.498579 1 W W27 1 0.583333 0.625232 0.498259 1 W W28 1 0.666889 0.749984 0.498570 1 W W29 1 0.750345 0.874756 0.499846 1 W W30 1 0.332901 -0.000274 0.500154 1 W W31 1 0.416502 0.124853 0.499454 1 W W32 1 0.499932 0.250001 0.499345 1 W W33 1 0.583333 0.375175 0.498973 1 W W34 1 0.666705 0.500262 0.498579 1 W W35 1 0.750377 0.625333 0.498774 1 W W36 1 0.834117 0.750190 0.500511 1 W W37 1 0.917646 0.874529 0.503080 1 W W38 1 0.499842 -0.000232 0.499513 1 W W39 1 0.583333 0.124825 0.499517 1 W W40 1 0.666735 0.250001 0.499345 1 W W41 1 0.750129 0.375230 0.499019 1 W W42 1 0.833525 0.500478 0.499053 1 W W43 1 0.917285 0.625706 0.500594 1 W W44 1 0.666825 -0.000232 0.499513 1 W W45 1 0.750165 0.124853 0.499454 1 W W46 1 0.833476 0.249927 0.499184 1 W W47 1 0.916715 0.375210 0.499144 1 W W48 1 0.833765 -0.000274 0.500154 1 W W49 1 0.916961 0.124636 0.499300 1 S S50 1 0.165048 0.913561 0.392026 1 S S51 1 0.083333 0.543057 0.390703 1 S S52 1 0.163992 0.669409 0.392465 1 S S53 1 0.246161 0.792082 0.392471 1 S S54 1 0.331943 0.915975 0.390435 1 S S55 1 0.083333 0.291831 0.388424 1 S S56 1 0.166570 0.417342 0.388854 1 S S57 1 0.249296 0.542710 0.389109 1 S S58 1 0.332228 0.667249 0.388977 1 S S59 1 0.415457 0.791692 0.388739 1 S S60 1 0.499527 0.916447 0.388655 1 S S61 1 0.083333 0.040679 0.389284 1 S S62 1 0.166576 0.166348 0.388447 1 S S63 1 0.249941 0.291756 0.388437 1 S S64 1 0.333138 0.417031 0.388403 1 S S65 1 0.416287 0.542004 0.388040 1 S S66 1 0.499618 0.666836 0.387649 1 S S67 1 0.583333 0.791688 0.387817 1 S S68 1 0.667139 0.916447 0.388655 1 S S69 1 0.249358 0.040687 0.389208 1 S S70 1 0.333127 0.166364 0.388670 1 S S71 1 0.416588 0.291638 0.388624 1 S S72 1 0.499909 0.416754 0.388240 1 S S73 1 0.583333 0.541843 0.387724 1 S S74 1 0.667048 0.666836 0.387649 1 S S75 1 0.751210 0.791692 0.388738 1 S S76 1 0.834724 0.915976 0.390434 1 S S77 1 0.416198 0.041257 0.389031 1 S S78 1 0.499927 0.166481 0.388876 1 S S79 1 0.583333 0.291590 0.388675 1 S S80 1 0.666758 0.416754 0.388240 1 S S81 1 0.750379 0.542004 0.388040 1 S S82 1 0.834438 0.667249 0.388977 1 S S83 1 0.920505 0.792082 0.392472 1 S S84 1 0.001618 0.913561 0.392026 1 S S85 1 0.583333 0.041428 0.388873 1 S S86 1 0.666740 0.166481 0.388876 1 S S87 1 0.750079 0.291638 0.388624 1 S S88 1 0.833529 0.417031 0.388403 1 S S89 1 0.917371 0.542710 0.389109 1 S S90 1 0.002674 0.669409 0.392465 1 S S91 1 0.750469 0.041257 0.389031 1 S S92 1 0.833540 0.166364 0.388670 1 S S93 1 0.916726 0.291756 0.388437 1 S S94 1 0.000098 0.417342 0.388854 1 S S95 1 0.917309 0.040687 0.389208 1 S S96 1 0.000091 0.166348 0.388447 1 S S97 1 0.083333 0.791687 0.619390 1 S S98 1 0.166466 0.916979 0.614523 1 S S99 1 0.083333 0.541121 0.612022 1 S S100 1 0.167324 0.666358 0.614883 1 S S101 1 0.250874 0.791527 0.614713 1 S S102 1 0.333824 0.916785 0.611592 1 S S103 1 0.083334 0.291655 0.609769 1 S S104 1 0.166762 0.416678 0.610212 1 S S105 1 0.250299 0.541989 0.610675 1 S S106 1 0.333473 0.666750 0.610657 1 S S107 1 0.416877 0.791340 0.610331 1 S S108 1 0.500152 0.916342 0.610100 1 S S109 1 0.083333 0.041583 0.610814 1 S S110 1 0.166543 0.166572 0.609842 1 S S111 1 0.249900 0.291739 0.609754 1 S S112 1 0.333317 0.417008 0.609712 1 S S113 1 0.416713 0.542000 0.609460 1 S S114 1 0.500014 0.666735 0.609239 1 S S115 1 0.583333 0.791373 0.609373 1 S S116 1 0.666515 0.916342 0.610099 1 S S117 1 0.249647 0.041594 0.610728 1 S S118 1 0.333048 0.166547 0.609931 1 S S119 1 0.416510 0.291817 0.609766 1 S S120 1 0.499973 0.417005 0.609469 1 S S121 1 0.583333 0.542009 0.609148 1 S S122 1 0.666652 0.666735 0.609239 1 S S123 1 0.749789 0.791340 0.610330 1 S S124 1 0.832843 0.916785 0.611592 1 S S125 1 0.416615 0.041568 0.610345 1 S S126 1 0.499884 0.166621 0.610051 1 S S127 1 0.583333 0.291861 0.609811 1 S S128 1 0.666694 0.417005 0.609469 1 S S129 1 0.749953 0.541999 0.609460 1 S S130 1 0.833194 0.666750 0.610656 1 S S131 1 0.915792 0.791527 0.614713 1 S S132 1 0.000200 0.916979 0.614522 1 S S133 1 0.583333 0.041445 0.610130 1 S S134 1 0.666783 0.166621 0.610051 1 S S135 1 0.750157 0.291817 0.609766 1 S S136 1 0.833350 0.417008 0.609712 1 S S137 1 0.916367 0.541989 0.610676 1 S S138 1 -0.000657 0.666358 0.614883 1 S S139 1 0.750051 0.041568 0.610345 1 S S140 1 0.833619 0.166547 0.609931 1 S S141 1 0.916767 0.291739 0.609754 1 S S142 1 -0.000095 0.416678 0.610212 1 S S143 1 0.917019 0.041594 0.610728 1 S S144 1 0.000124 0.166572 0.609842 1