# 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 0.083334 0.788548 0.379136 1 W W2 1 0.001788 0.750834 0.508416 1 W W3 1 0.083333 0.873283 0.507297 1 W W4 1 -0.000006 0.500490 0.500433 1 W W5 1 0.083333 0.625831 0.504257 1 W W6 1 0.164878 0.750834 0.508416 1 W W7 1 0.248956 0.874518 0.503668 1 W W8 1 0.000075 0.250014 0.499031 1 W W9 1 0.083334 0.375275 0.499504 1 W W10 1 0.166672 0.500490 0.500433 1 W W11 1 0.249377 0.625700 0.501038 1 W W12 1 0.332518 0.750141 0.501027 1 W W13 1 0.416315 0.874734 0.500155 1 W W14 1 0.000428 -0.000837 0.501085 1 W W15 1 0.083333 0.124693 0.499501 1 W W16 1 0.166591 0.250014 0.499031 1 W W17 1 0.249867 0.375262 0.498895 1 W W18 1 0.333085 0.500454 0.498741 1 W W19 1 0.416357 0.625280 0.498828 1 W W20 1 0.499752 0.750002 0.498779 1 W W21 1 0.583333 0.874826 0.499108 1 W W22 1 0.166238 -0.000837 0.501085 1 W W23 1 0.249706 0.124632 0.499298 1 W W24 1 0.333145 0.249953 0.498649 1 W W25 1 0.416494 0.375255 0.498135 1 W W26 1 0.499903 0.500284 0.497943 1 W W27 1 0.583334 0.625200 0.498085 1 W W28 1 0.666915 0.750002 0.498779 1 W W29 1 0.750352 0.874734 0.500154 1 W W30 1 0.332851 -0.000270 0.500310 1 W W31 1 0.416465 0.124810 0.499039 1 W W32 1 0.499926 0.250008 0.498359 1 W W33 1 0.583333 0.375189 0.497904 1 W W34 1 0.666765 0.500285 0.497943 1 W W35 1 0.750310 0.625281 0.498827 1 W W36 1 0.834149 0.750141 0.501027 1 W W37 1 0.917711 0.874518 0.503668 1 W W38 1 0.499826 -0.000257 0.499447 1 W W39 1 0.583333 0.124829 0.498931 1 W W40 1 0.666740 0.250008 0.498359 1 W W41 1 0.750173 0.375255 0.498135 1 W W42 1 0.833582 0.500454 0.498742 1 W W43 1 0.917290 0.625700 0.501038 1 W W44 1 0.666840 -0.000257 0.499447 1 W W45 1 0.750202 0.124810 0.499040 1 W W46 1 0.833521 0.249953 0.498649 1 W W47 1 0.916800 0.375263 0.498895 1 W W48 1 0.833815 -0.000270 0.500311 1 W W49 1 0.916961 0.124632 0.499299 1 S S50 1 0.164889 0.913446 0.392748 1 S S51 1 0.083333 0.543218 0.391152 1 S S52 1 0.163844 0.669545 0.393300 1 S S53 1 0.245946 0.792008 0.393311 1 S S54 1 0.331776 0.915859 0.390859 1 S S55 1 0.083333 0.291926 0.388558 1 S S56 1 0.166359 0.417461 0.388939 1 S S57 1 0.249108 0.542846 0.389259 1 S S58 1 0.332123 0.667291 0.389433 1 S S59 1 0.415329 0.791686 0.389155 1 S S60 1 0.499450 0.916354 0.388852 1 S S61 1 0.083333 0.040655 0.389757 1 S S62 1 0.166489 0.166322 0.388596 1 S S63 1 0.249730 0.291797 0.388258 1 S S64 1 0.332838 0.417125 0.387919 1 S S65 1 0.416129 0.542168 0.387741 1 S S66 1 0.499555 0.666950 0.387746 1 S S67 1 0.583333 0.791700 0.388111 1 S S68 1 0.667216 0.916354 0.388851 1 S S69 1 0.249201 0.040569 0.389470 1 S S70 1 0.332966 0.166242 0.388421 1 S S71 1 0.416395 0.291636 0.387874 1 S S72 1 0.499805 0.416896 0.387389 1 S S73 1 0.583334 0.541980 0.387267 1 S S74 1 0.667112 0.666950 0.387745 1 S S75 1 0.751338 0.791686 0.389155 1 S S76 1 0.834890 0.915859 0.390859 1 S S77 1 0.416067 0.041071 0.388977 1 S S78 1 0.499848 0.166314 0.388258 1 S S79 1 0.583333 0.291590 0.387688 1 S S80 1 0.666861 0.416896 0.387389 1 S S81 1 0.750538 0.542168 0.387741 1 S S82 1 0.834545 0.667290 0.389433 1 S S83 1 0.920721 0.792009 0.393310 1 S S84 1 0.001778 0.913446 0.392748 1 S S85 1 0.583333 0.041237 0.388707 1 S S86 1 0.666818 0.166314 0.388258 1 S S87 1 0.750271 0.291636 0.387873 1 S S88 1 0.833829 0.417125 0.387919 1 S S89 1 0.917559 0.542846 0.389259 1 S S90 1 0.002823 0.669546 0.393299 1 S S91 1 0.750600 0.041072 0.388976 1 S S92 1 0.833700 0.166242 0.388421 1 S S93 1 0.916936 0.291797 0.388258 1 S S94 1 0.000308 0.417460 0.388939 1 S S95 1 0.917466 0.040570 0.389470 1 S S96 1 0.000178 0.166322 0.388596 1 S S97 1 0.083333 0.791767 0.620369 1 S S98 1 0.166545 0.917131 0.615186 1 S S99 1 0.083333 0.540929 0.612419 1 S S100 1 0.167431 0.666206 0.615578 1 S S101 1 0.250993 0.791523 0.615318 1 S S102 1 0.333889 0.916860 0.611848 1 S S103 1 0.083333 0.291687 0.609802 1 S S104 1 0.166841 0.416636 0.610284 1 S S105 1 0.250473 0.541791 0.610728 1 S S106 1 0.333640 0.666584 0.610897 1 S S107 1 0.416979 0.791349 0.610614 1 S S108 1 0.500195 0.916446 0.610193 1 S S109 1 0.083334 0.041756 0.611156 1 S S110 1 0.166633 0.166683 0.609872 1 S S111 1 0.250031 0.291787 0.609421 1 S S112 1 0.333434 0.416926 0.609137 1 S S113 1 0.416778 0.541799 0.609116 1 S S114 1 0.500115 0.666628 0.609197 1 S S115 1 0.583333 0.791399 0.609488 1 S S116 1 0.666472 0.916446 0.610192 1 S S117 1 0.249711 0.041727 0.610885 1 S S118 1 0.333189 0.166676 0.609519 1 S S119 1 0.416635 0.291884 0.608831 1 S S120 1 0.499997 0.416911 0.608511 1 S S121 1 0.583333 0.541820 0.608580 1 S S122 1 0.666552 0.666629 0.609197 1 S S123 1 0.749688 0.791349 0.610614 1 S S124 1 0.832777 0.916860 0.611847 1 S S125 1 0.416649 0.041700 0.610184 1 S S126 1 0.499943 0.166769 0.609276 1 S S127 1 0.583333 0.291887 0.608660 1 S S128 1 0.666670 0.416911 0.608511 1 S S129 1 0.749890 0.541800 0.609115 1 S S130 1 0.833026 0.666584 0.610896 1 S S131 1 0.915673 0.791522 0.615318 1 S S132 1 0.000121 0.917131 0.615186 1 S S133 1 0.583333 0.041584 0.609818 1 S S134 1 0.666723 0.166769 0.609276 1 S S135 1 0.750032 0.291884 0.608831 1 S S136 1 0.833232 0.416926 0.609138 1 S S137 1 0.916194 0.541791 0.610727 1 S S138 1 -0.000764 0.666207 0.615579 1 S S139 1 0.750017 0.041700 0.610185 1 S S140 1 0.833477 0.166677 0.609519 1 S S141 1 0.916636 0.291787 0.609421 1 S S142 1 -0.000173 0.416636 0.610283 1 S S143 1 0.916955 0.041727 0.610886 1 S S144 1 0.000033 0.166683 0.609872 1