# generated using pymatgen data_ZnW48S95 _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 ZnW48S95 _chemical_formula_sum 'Zn1 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 Zn Zn1 1 0.083333 0.791687 0.359685 1 W W2 1 0.000625 0.750370 0.504684 1 W W3 1 0.083333 0.874410 0.504659 1 W W4 1 -0.000105 0.500799 0.500012 1 W W5 1 0.083333 0.627476 0.501602 1 W W6 1 0.166042 0.750370 0.504684 1 W W7 1 0.247696 0.873798 0.501609 1 W W8 1 0.000080 0.250357 0.499840 1 W W9 1 0.083333 0.375723 0.500059 1 W W10 1 0.166772 0.500799 0.500012 1 W W11 1 0.249831 0.625591 0.499641 1 W W12 1 0.332827 0.749862 0.499651 1 W W13 1 0.416314 0.874445 0.499966 1 W W14 1 0.000403 -0.000329 0.499630 1 W W15 1 0.083333 0.125266 0.499572 1 W W16 1 0.166587 0.250357 0.499840 1 W W17 1 0.249849 0.375491 0.499915 1 W W18 1 0.333265 0.500438 0.499691 1 W W19 1 0.416783 0.624962 0.499587 1 W W20 1 0.499799 0.749723 0.499559 1 W W21 1 0.583333 0.874572 0.499834 1 W W22 1 0.166263 -0.000329 0.499630 1 W W23 1 0.249624 0.124882 0.499661 1 W W24 1 0.333090 0.250070 0.499887 1 W W25 1 0.416566 0.375132 0.499953 1 W W26 1 0.499970 0.500058 0.499869 1 W W27 1 0.583333 0.624951 0.499690 1 W W28 1 0.666868 0.749723 0.499559 1 W W29 1 0.750353 0.874445 0.499966 1 W W30 1 0.332713 -0.000329 0.500013 1 W W31 1 0.416367 0.124611 0.499953 1 W W32 1 0.499851 0.249780 0.500032 1 W W33 1 0.583333 0.374969 0.500054 1 W W34 1 0.666696 0.500058 0.499869 1 W W35 1 0.749884 0.624962 0.499587 1 W W36 1 0.833839 0.749862 0.499651 1 W W37 1 0.918971 0.873798 0.501609 1 W W38 1 0.499706 -0.000578 0.500053 1 W W39 1 0.583333 0.124530 0.500027 1 W W40 1 0.666816 0.249780 0.500032 1 W W41 1 0.750101 0.375132 0.499953 1 W W42 1 0.833402 0.500438 0.499691 1 W W43 1 0.916835 0.625591 0.499641 1 W W44 1 0.666960 -0.000578 0.500053 1 W W45 1 0.750299 0.124611 0.499953 1 W W46 1 0.833577 0.250070 0.499887 1 W W47 1 0.916817 0.375491 0.499915 1 W W48 1 0.833953 -0.000329 0.500013 1 W W49 1 0.917043 0.124882 0.499661 1 S S50 1 0.165618 0.914850 0.390360 1 S S51 1 0.083333 0.543512 0.390282 1 S S52 1 0.165372 0.668479 0.390335 1 S S53 1 0.247689 0.791772 0.390357 1 S S54 1 0.331748 0.915709 0.390330 1 S S55 1 0.083333 0.292290 0.389321 1 S S56 1 0.166521 0.417427 0.389320 1 S S57 1 0.249793 0.542154 0.388964 1 S S58 1 0.333453 0.666640 0.388892 1 S S59 1 0.416326 0.791524 0.388917 1 S S60 1 0.499662 0.916208 0.389241 1 S S61 1 0.083333 0.041860 0.388930 1 S S62 1 0.166605 0.166966 0.388961 1 S S63 1 0.249884 0.292039 0.389246 1 S S64 1 0.333256 0.416949 0.389228 1 S S65 1 0.416714 0.541695 0.388897 1 S S66 1 0.500040 0.666539 0.388744 1 S S67 1 0.583333 0.791397 0.388968 1 S S68 1 0.667005 0.916208 0.389241 1 S S69 1 0.249777 0.041341 0.389011 1 S S70 1 0.333145 0.166559 0.389275 1 S S71 1 0.416555 0.291653 0.389416 1 S S72 1 0.499991 0.416650 0.389341 1 S S73 1 0.583333 0.541611 0.389092 1 S S74 1 0.666627 0.666539 0.388744 1 S S75 1 0.750340 0.791524 0.388917 1 S S76 1 0.834919 0.915709 0.390330 1 S S77 1 0.416307 0.041087 0.389375 1 S S78 1 0.499876 0.166271 0.389498 1 S S79 1 0.583333 0.291478 0.389585 1 S S80 1 0.666676 0.416650 0.389341 1 S S81 1 0.749953 0.541695 0.388897 1 S S82 1 0.833214 0.666640 0.388892 1 S S83 1 0.918978 0.791772 0.390357 1 S S84 1 0.001049 0.914850 0.390360 1 S S85 1 0.583333 0.041038 0.389543 1 S S86 1 0.666791 0.166271 0.389498 1 S S87 1 0.750111 0.291653 0.389416 1 S S88 1 0.833411 0.416949 0.389228 1 S S89 1 0.916874 0.542154 0.388964 1 S S90 1 0.001294 0.668479 0.390335 1 S S91 1 0.750360 0.041087 0.389375 1 S S92 1 0.833522 0.166559 0.389275 1 S S93 1 0.916782 0.292039 0.389246 1 S S94 1 0.000146 0.417427 0.389320 1 S S95 1 0.916890 0.041341 0.389011 1 S S96 1 0.000062 0.166966 0.388961 1 S S97 1 0.083333 0.791720 0.614831 1 S S98 1 0.165673 0.917283 0.613446 1 S S99 1 0.083333 0.542588 0.610566 1 S S100 1 0.167759 0.667222 0.613480 1 S S101 1 0.250124 0.790605 0.613472 1 S S102 1 0.332698 0.916162 0.610528 1 S S103 1 0.083333 0.292151 0.610562 1 S S104 1 0.166684 0.417376 0.610727 1 S S105 1 0.250156 0.542268 0.610599 1 S S106 1 0.333446 0.666655 0.610352 1 S S107 1 0.416456 0.791196 0.610546 1 S S108 1 0.499828 0.916070 0.610700 1 S S109 1 0.083333 0.041838 0.610271 1 S S110 1 0.166525 0.166846 0.610433 1 S S111 1 0.249852 0.292007 0.610527 1 S S112 1 0.333237 0.417080 0.610476 1 S S113 1 0.416659 0.541831 0.610558 1 S S114 1 0.499986 0.666556 0.610501 1 S S115 1 0.583333 0.791231 0.610345 1 S S116 1 0.666839 0.916070 0.610700 1 S S117 1 0.249480 0.041563 0.610520 1 S S118 1 0.332973 0.166524 0.610379 1 S S119 1 0.416476 0.291660 0.610502 1 S S120 1 0.499934 0.416732 0.610601 1 S S121 1 0.583333 0.541718 0.610577 1 S S122 1 0.666681 0.666556 0.610501 1 S S123 1 0.750211 0.791196 0.610546 1 S S124 1 0.833969 0.916162 0.610528 1 S S125 1 0.416267 0.041199 0.610660 1 S S126 1 0.499828 0.166258 0.610510 1 S S127 1 0.583333 0.291473 0.610508 1 S S128 1 0.666733 0.416732 0.610601 1 S S129 1 0.750008 0.541831 0.610558 1 S S130 1 0.833220 0.666655 0.610352 1 S S131 1 0.916543 0.790605 0.613472 1 S S132 1 0.000994 0.917283 0.613446 1 S S133 1 0.583333 0.041065 0.610565 1 S S134 1 0.666839 0.166258 0.610510 1 S S135 1 0.750191 0.291660 0.610502 1 S S136 1 0.833430 0.417080 0.610476 1 S S137 1 0.916511 0.542268 0.610599 1 S S138 1 -0.001093 0.667222 0.613480 1 S S139 1 0.750400 0.041199 0.610660 1 S S140 1 0.833694 0.166523 0.610378 1 S S141 1 0.916815 0.292007 0.610527 1 S S142 1 -0.000018 0.417376 0.610727 1 S S143 1 0.917187 0.041563 0.610520 1 S S144 1 0.000142 0.166846 0.610433 1