# generated using pymatgen data_BiW48S95 _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 BiW48S95 _chemical_formula_sum 'Bi1 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 Bi Bi1 1 0.083333 0.791703 0.334444 1 W W2 1 0.002662 0.751040 0.504736 1 W W3 1 0.083333 0.872912 0.504666 1 W W4 1 -0.000048 0.500440 0.500225 1 W W5 1 0.083333 0.626669 0.502190 1 W W6 1 0.164005 0.751040 0.504736 1 W W7 1 0.248299 0.874200 0.502049 1 W W8 1 0.000094 0.250197 0.499933 1 W W9 1 0.083333 0.375653 0.500100 1 W W10 1 0.166715 0.500440 0.500225 1 W W11 1 0.250026 0.625424 0.499977 1 W W12 1 0.332942 0.749798 0.499923 1 W W13 1 0.416548 0.874605 0.500097 1 W W14 1 0.000397 -0.000151 0.500064 1 W W15 1 0.083333 0.125404 0.499869 1 W W16 1 0.166573 0.250197 0.499933 1 W W17 1 0.249782 0.375384 0.499991 1 W W18 1 0.333219 0.500452 0.499788 1 W W19 1 0.416960 0.624951 0.499840 1 W W20 1 0.499810 0.749805 0.499763 1 W W21 1 0.583333 0.874682 0.499975 1 W W22 1 0.166270 -0.000151 0.500064 1 W W23 1 0.249621 0.124801 0.499784 1 W W24 1 0.333088 0.250089 0.499890 1 W W25 1 0.416586 0.375136 0.499954 1 W W26 1 0.499881 0.500161 0.499955 1 W W27 1 0.583333 0.625113 0.499908 1 W W28 1 0.666857 0.749805 0.499763 1 W W29 1 0.750119 0.874605 0.500097 1 W W30 1 0.332977 -0.000214 0.500181 1 W W31 1 0.416417 0.124636 0.499985 1 W W32 1 0.499784 0.249845 0.499960 1 W W33 1 0.583333 0.375071 0.500023 1 W W34 1 0.666786 0.500161 0.499955 1 W W35 1 0.749707 0.624951 0.499840 1 W W36 1 0.833725 0.749798 0.499923 1 W W37 1 0.918368 0.874201 0.502049 1 W W38 1 0.499651 -0.000553 0.500052 1 W W39 1 0.583333 0.124579 0.499978 1 W W40 1 0.666882 0.249845 0.499959 1 W W41 1 0.750080 0.375136 0.499954 1 W W42 1 0.833448 0.500452 0.499788 1 W W43 1 0.916641 0.625424 0.499977 1 W W44 1 0.667016 -0.000553 0.500052 1 W W45 1 0.750249 0.124636 0.499985 1 W W46 1 0.833578 0.250089 0.499890 1 W W47 1 0.916885 0.375384 0.499991 1 W W48 1 0.833690 -0.000214 0.500181 1 W W49 1 0.917046 0.124801 0.499784 1 S S50 1 0.165929 0.914917 0.391329 1 S S51 1 0.083333 0.543123 0.390488 1 S S52 1 0.165156 0.668051 0.391398 1 S S53 1 0.247594 0.792039 0.391380 1 S S54 1 0.332053 0.915855 0.390464 1 S S55 1 0.083333 0.292210 0.389480 1 S S56 1 0.166500 0.417245 0.389354 1 S S57 1 0.249702 0.542032 0.389211 1 S S58 1 0.333368 0.666691 0.389257 1 S S59 1 0.416409 0.791592 0.389107 1 S S60 1 0.499774 0.916252 0.389228 1 S S61 1 0.083333 0.041776 0.389431 1 S S62 1 0.166585 0.166831 0.389131 1 S S63 1 0.249830 0.291929 0.389355 1 S S64 1 0.333181 0.416963 0.389438 1 S S65 1 0.416653 0.541802 0.389083 1 S S66 1 0.500029 0.666660 0.388952 1 S S67 1 0.583333 0.791453 0.389107 1 S S68 1 0.666893 0.916252 0.389228 1 S S69 1 0.249826 0.041291 0.389282 1 S S70 1 0.333094 0.166506 0.389481 1 S S71 1 0.416485 0.291698 0.389476 1 S S72 1 0.499953 0.416773 0.389486 1 S S73 1 0.583333 0.541770 0.389385 1 S S74 1 0.666638 0.666660 0.388952 1 S S75 1 0.750258 0.791592 0.389107 1 S S76 1 0.834614 0.915855 0.390464 1 S S77 1 0.416373 0.041144 0.389430 1 S S78 1 0.499877 0.166325 0.389591 1 S S79 1 0.583333 0.291562 0.389708 1 S S80 1 0.666714 0.416773 0.389486 1 S S81 1 0.750014 0.541801 0.389083 1 S S82 1 0.833298 0.666691 0.389257 1 S S83 1 0.919073 0.792039 0.391379 1 S S84 1 0.000737 0.914917 0.391329 1 S S85 1 0.583333 0.040992 0.389632 1 S S86 1 0.666790 0.166325 0.389591 1 S S87 1 0.750182 0.291698 0.389475 1 S S88 1 0.833486 0.416963 0.389438 1 S S89 1 0.916965 0.542032 0.389211 1 S S90 1 0.001510 0.668052 0.391398 1 S S91 1 0.750294 0.041144 0.389430 1 S S92 1 0.833572 0.166506 0.389481 1 S S93 1 0.916837 0.291929 0.389355 1 S S94 1 0.000166 0.417245 0.389354 1 S S95 1 0.916841 0.041291 0.389282 1 S S96 1 0.000082 0.166831 0.389131 1 S S97 1 0.083333 0.791805 0.617254 1 S S98 1 0.165828 0.917227 0.613273 1 S S99 1 0.083333 0.542061 0.611041 1 S S100 1 0.167702 0.667107 0.613237 1 S S101 1 0.249979 0.790680 0.613047 1 S S102 1 0.333070 0.916341 0.610849 1 S S103 1 0.083333 0.292048 0.610494 1 S S104 1 0.166701 0.417130 0.610881 1 S S105 1 0.250095 0.542054 0.610880 1 S S106 1 0.333555 0.666656 0.610644 1 S S107 1 0.416497 0.791323 0.610788 1 S S108 1 0.499913 0.916166 0.610848 1 S S109 1 0.083333 0.041965 0.610685 1 S S110 1 0.166559 0.166783 0.610660 1 S S111 1 0.249827 0.291899 0.610492 1 S S112 1 0.333198 0.417057 0.610385 1 S S113 1 0.416618 0.541883 0.610732 1 S S114 1 0.499946 0.666674 0.610765 1 S S115 1 0.583333 0.791338 0.610530 1 S S116 1 0.666753 0.916166 0.610848 1 S S117 1 0.249655 0.041573 0.610839 1 S S118 1 0.332982 0.166514 0.610296 1 S S119 1 0.416447 0.291692 0.610407 1 S S120 1 0.499923 0.416794 0.610498 1 S S121 1 0.583333 0.541807 0.610550 1 S S122 1 0.666721 0.666674 0.610765 1 S S123 1 0.750170 0.791323 0.610788 1 S S124 1 0.833596 0.916341 0.610849 1 S S125 1 0.416364 0.041312 0.610745 1 S S126 1 0.499886 0.166346 0.610358 1 S S127 1 0.583333 0.291533 0.610271 1 S S128 1 0.666744 0.416794 0.610498 1 S S129 1 0.750049 0.541883 0.610732 1 S S130 1 0.833111 0.666657 0.610644 1 S S131 1 0.916688 0.790679 0.613046 1 S S132 1 0.000839 0.917227 0.613273 1 S S133 1 0.583333 0.041095 0.610380 1 S S134 1 0.666781 0.166346 0.610358 1 S S135 1 0.750219 0.291692 0.610407 1 S S136 1 0.833469 0.417057 0.610386 1 S S137 1 0.916572 0.542054 0.610881 1 S S138 1 -0.001035 0.667107 0.613237 1 S S139 1 0.750303 0.041312 0.610745 1 S S140 1 0.833685 0.166514 0.610296 1 S S141 1 0.916839 0.291899 0.610492 1 S S142 1 -0.000034 0.417131 0.610882 1 S S143 1 0.917012 0.041573 0.610839 1 S S144 1 0.000108 0.166783 0.610660 1