# generated using pymatgen data_AgW48S95 _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 AgW48S95 _chemical_formula_sum 'Ag1 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 Ag Ag1 1 0.083333 0.791669 0.349347 1 W W2 1 0.001006 0.750524 0.503787 1 W W3 1 0.083333 0.874003 0.503769 1 W W4 1 0.000006 0.500632 0.500236 1 W W5 1 0.083333 0.626646 0.501745 1 W W6 1 0.165661 0.750524 0.503787 1 W W7 1 0.248424 0.874187 0.501729 1 W W8 1 0.000060 0.250097 0.499865 1 W W9 1 0.083333 0.375402 0.500038 1 W W10 1 0.166660 0.500632 0.500236 1 W W11 1 0.249703 0.625577 0.500113 1 W W12 1 0.332708 0.749969 0.500091 1 W W13 1 0.416227 0.874644 0.500189 1 W W14 1 0.000384 -0.000485 0.500106 1 W W15 1 0.083333 0.124880 0.499769 1 W W16 1 0.166607 0.250097 0.499865 1 W W17 1 0.249885 0.375294 0.499910 1 W W18 1 0.333156 0.500394 0.499815 1 W W19 1 0.416526 0.625129 0.499761 1 W W20 1 0.499768 0.749926 0.499743 1 W W21 1 0.583333 0.874768 0.499862 1 W W22 1 0.166282 -0.000485 0.500106 1 W W23 1 0.249711 0.124731 0.499809 1 W W24 1 0.333157 0.249965 0.499876 1 W W25 1 0.416540 0.375132 0.499907 1 W W26 1 0.499946 0.500127 0.499872 1 W W27 1 0.583333 0.625085 0.499783 1 W W28 1 0.666898 0.749926 0.499743 1 W W29 1 0.750440 0.874644 0.500189 1 W W30 1 0.332779 -0.000347 0.500228 1 W W31 1 0.416433 0.124740 0.499922 1 W W32 1 0.499916 0.249893 0.499943 1 W W33 1 0.583333 0.375033 0.499962 1 W W34 1 0.666720 0.500127 0.499872 1 W W35 1 0.750141 0.625129 0.499761 1 W W36 1 0.833959 0.749969 0.500091 1 W W37 1 0.918243 0.874187 0.501729 1 W W38 1 0.499785 -0.000339 0.500024 1 W W39 1 0.583333 0.124735 0.499941 1 W W40 1 0.666751 0.249893 0.499943 1 W W41 1 0.750127 0.375132 0.499907 1 W W42 1 0.833511 0.500394 0.499815 1 W W43 1 0.916964 0.625577 0.500113 1 W W44 1 0.666882 -0.000339 0.500024 1 W W45 1 0.750234 0.124740 0.499922 1 W W46 1 0.833510 0.249965 0.499876 1 W W47 1 0.916781 0.375294 0.499910 1 W W48 1 0.833888 -0.000347 0.500228 1 W W49 1 0.916956 0.124731 0.499809 1 S S50 1 0.165531 0.914620 0.390757 1 S S51 1 0.083333 0.543025 0.390294 1 S S52 1 0.165201 0.668580 0.390763 1 S S53 1 0.247407 0.791821 0.390766 1 S S54 1 0.332090 0.915956 0.390296 1 S S55 1 0.083333 0.291960 0.389279 1 S S56 1 0.166547 0.417267 0.389405 1 S S57 1 0.249641 0.542286 0.389256 1 S S58 1 0.333069 0.666835 0.389117 1 S S59 1 0.416044 0.791595 0.389216 1 S S60 1 0.499625 0.916331 0.389344 1 S S61 1 0.083333 0.041413 0.389130 1 S S62 1 0.166601 0.166631 0.389107 1 S S63 1 0.249898 0.291845 0.389231 1 S S64 1 0.333204 0.416946 0.389233 1 S S65 1 0.416557 0.541814 0.389077 1 S S66 1 0.499909 0.666704 0.388987 1 S S67 1 0.583333 0.791542 0.389076 1 S S68 1 0.667041 0.916331 0.389344 1 S S69 1 0.249609 0.041114 0.389273 1 S S70 1 0.333117 0.166473 0.389253 1 S S71 1 0.416567 0.291665 0.389340 1 S S72 1 0.499961 0.416728 0.389303 1 S S73 1 0.583333 0.541741 0.389156 1 S S74 1 0.666758 0.666704 0.388987 1 S S75 1 0.750623 0.791595 0.389216 1 S S76 1 0.834577 0.915956 0.390296 1 S S77 1 0.416249 0.041213 0.389443 1 S S78 1 0.499886 0.166432 0.389364 1 S S79 1 0.583333 0.291591 0.389401 1 S S80 1 0.666706 0.416728 0.389303 1 S S81 1 0.750110 0.541814 0.389077 1 S S82 1 0.833598 0.666835 0.389117 1 S S83 1 0.919260 0.791821 0.390766 1 S S84 1 0.001136 0.914620 0.390757 1 S S85 1 0.583333 0.041292 0.389391 1 S S86 1 0.666780 0.166432 0.389364 1 S S87 1 0.750100 0.291665 0.389340 1 S S88 1 0.833463 0.416946 0.389233 1 S S89 1 0.917025 0.542286 0.389256 1 S S90 1 0.001466 0.668580 0.390763 1 S S91 1 0.750418 0.041213 0.389443 1 S S92 1 0.833550 0.166473 0.389253 1 S S93 1 0.916768 0.291845 0.389231 1 S S94 1 0.000119 0.417267 0.389405 1 S S95 1 0.917058 0.041114 0.389273 1 S S96 1 0.000066 0.166631 0.389107 1 S S97 1 0.083333 0.791686 0.614099 1 S S98 1 0.165684 0.916781 0.613100 1 S S99 1 0.083333 0.542203 0.611139 1 S S100 1 0.167277 0.667390 0.613113 1 S S101 1 0.249650 0.790852 0.613095 1 S S102 1 0.332921 0.916354 0.611108 1 S S103 1 0.083333 0.291859 0.610550 1 S S104 1 0.166667 0.417065 0.610731 1 S S105 1 0.250064 0.542183 0.610828 1 S S106 1 0.333267 0.666751 0.610724 1 S S107 1 0.416384 0.791335 0.610764 1 S S108 1 0.499875 0.916317 0.610674 1 S S109 1 0.083333 0.041588 0.610707 1 S S110 1 0.166556 0.166629 0.610504 1 S S111 1 0.249895 0.291816 0.610511 1 S S112 1 0.333220 0.416975 0.610510 1 S S113 1 0.416577 0.541865 0.610557 1 S S114 1 0.499926 0.666685 0.610515 1 S S115 1 0.583333 0.791454 0.610432 1 S S116 1 0.666792 0.916317 0.610674 1 S S117 1 0.249507 0.041471 0.610796 1 S S118 1 0.333056 0.166496 0.610472 1 S S119 1 0.416516 0.291669 0.610505 1 S S120 1 0.499927 0.416772 0.610572 1 S S121 1 0.583333 0.541794 0.610548 1 S S122 1 0.666740 0.666685 0.610515 1 S S123 1 0.750282 0.791335 0.610764 1 S S124 1 0.833746 0.916354 0.611108 1 S S125 1 0.416384 0.041377 0.610682 1 S S126 1 0.499875 0.166434 0.610512 1 S S127 1 0.583333 0.291588 0.610565 1 S S128 1 0.666739 0.416772 0.610572 1 S S129 1 0.750090 0.541865 0.610557 1 S S130 1 0.833400 0.666751 0.610724 1 S S131 1 0.917017 0.790852 0.613095 1 S S132 1 0.000983 0.916781 0.613100 1 S S133 1 0.583333 0.041343 0.610556 1 S S134 1 0.666792 0.166434 0.610512 1 S S135 1 0.750151 0.291669 0.610505 1 S S136 1 0.833447 0.416975 0.610510 1 S S137 1 0.916603 0.542183 0.610828 1 S S138 1 -0.000610 0.667390 0.613113 1 S S139 1 0.750283 0.041377 0.610682 1 S S140 1 0.833610 0.166496 0.610472 1 S S141 1 0.916772 0.291816 0.610511 1 S S142 1 -0.000000 0.417065 0.610731 1 S S143 1 0.917160 0.041471 0.610796 1 S S144 1 0.000111 0.166629 0.610504 1