# generated using pymatgen data_MnW47S96 _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 MnW47S96 _chemical_formula_sum 'Mn1 W47 S96' _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 Mn Mn1 1 -0.000070 0.745474 0.500000 1 W W2 1 0.082395 0.876660 0.500000 1 W W3 1 0.000002 0.499718 0.500002 1 W W4 1 0.083849 0.624522 0.500002 1 W W5 1 0.167679 0.750239 0.500001 1 W W6 1 0.249732 0.874998 0.500000 1 W W7 1 -0.000000 0.249898 0.500000 1 W W8 1 0.083367 0.374833 0.500001 1 W W9 1 0.166429 0.500003 0.500001 1 W W10 1 0.249828 0.625240 0.500001 1 W W11 1 0.333023 0.750551 0.500000 1 W W12 1 0.416732 0.875198 0.500000 1 W W13 1 0.000000 0.000304 0.500000 1 W W14 1 0.083431 0.125042 0.500000 1 W W15 1 0.166717 0.249931 0.500000 1 W W16 1 0.249984 0.375006 0.500000 1 W W17 1 0.333245 0.500117 0.500000 1 W W18 1 0.416628 0.625250 0.500000 1 W W19 1 0.500000 0.750242 0.500001 1 W W20 1 0.583269 0.875198 0.500000 1 W W21 1 0.166784 -0.000414 0.500000 1 W W22 1 0.250030 0.124910 0.499999 1 W W23 1 0.333330 0.250012 0.500000 1 W W24 1 0.416626 0.375095 0.500000 1 W W25 1 0.500001 0.500170 0.499999 1 W W26 1 0.583375 0.625251 0.500001 1 W W27 1 0.666975 0.750547 0.500002 1 W W28 1 0.750264 0.875003 0.500001 1 W W29 1 0.333325 0.000152 0.500000 1 W W30 1 0.416707 0.125079 0.500000 1 W W31 1 0.500000 0.250078 0.500000 1 W W32 1 0.583375 0.375096 0.500000 1 W W33 1 0.666757 0.500118 0.500001 1 W W34 1 0.750181 0.625244 0.500002 1 W W35 1 0.832342 0.750269 0.500002 1 W W36 1 0.917600 0.876672 0.500001 1 W W37 1 0.500000 0.000123 0.500000 1 W W38 1 0.583293 0.125079 0.500000 1 W W39 1 0.666670 0.250013 0.500000 1 W W40 1 0.750016 0.375007 0.500001 1 W W41 1 0.833568 0.500005 0.500002 1 W W42 1 0.916201 0.624529 0.500002 1 W W43 1 0.666676 0.000152 0.500000 1 W W44 1 0.749970 0.124911 0.500000 1 W W45 1 0.833283 0.249932 0.500000 1 W W46 1 0.916634 0.374833 0.500001 1 W W47 1 0.833214 -0.000411 0.500000 1 W W48 1 0.916569 0.125042 0.500000 1 S S49 1 0.078524 0.789165 0.395284 1 S S50 1 0.166375 0.916275 0.388694 1 S S51 1 0.083068 0.541585 0.389079 1 S S52 1 0.166458 0.666928 0.389359 1 S S53 1 0.249766 0.792135 0.388500 1 S S54 1 0.333263 0.916793 0.389433 1 S S55 1 0.083361 0.291541 0.389266 1 S S56 1 0.166626 0.416661 0.389281 1 S S57 1 0.249848 0.541830 0.389354 1 S S58 1 0.333244 0.667017 0.389418 1 S S59 1 0.416593 0.791882 0.389298 1 S S60 1 0.500000 0.916830 0.389207 1 S S61 1 0.083542 0.041771 0.389324 1 S S62 1 0.166750 0.166619 0.389271 1 S S63 1 0.250000 0.291666 0.389286 1 S S64 1 0.333269 0.416777 0.389304 1 S S65 1 0.416598 0.541861 0.389350 1 S S66 1 0.500002 0.666883 0.389323 1 S S67 1 0.583406 0.791882 0.389297 1 S S68 1 0.666736 0.916794 0.389430 1 S S69 1 0.249902 0.041539 0.389241 1 S S70 1 0.333335 0.166657 0.389295 1 S S71 1 0.416641 0.291743 0.389299 1 S S72 1 0.500000 0.416786 0.389329 1 S S73 1 0.583403 0.541861 0.389350 1 S S74 1 0.666762 0.667017 0.389417 1 S S75 1 0.750230 0.792137 0.388507 1 S S76 1 0.833620 0.916281 0.388692 1 S S77 1 0.416673 0.041759 0.389262 1 S S78 1 0.500000 0.166752 0.389258 1 S S79 1 0.583359 0.291743 0.389299 1 S S80 1 0.666731 0.416777 0.389304 1 S S81 1 0.750155 0.541832 0.389353 1 S S82 1 0.833564 0.666940 0.389369 1 S S83 1 0.921435 0.789197 0.395248 1 S S84 1 0.000001 0.917470 0.388640 1 S S85 1 0.583327 0.041759 0.389262 1 S S86 1 0.666664 0.166658 0.389295 1 S S87 1 0.750000 0.291667 0.389286 1 S S88 1 0.833374 0.416661 0.389281 1 S S89 1 0.916936 0.541587 0.389085 1 S S90 1 0.000009 0.667369 0.391187 1 S S91 1 0.750097 0.041540 0.389241 1 S S92 1 0.833250 0.166619 0.389271 1 S S93 1 0.916639 0.291541 0.389266 1 S S94 1 0.000000 0.416400 0.389247 1 S S95 1 0.916458 0.041771 0.389324 1 S S96 1 0.000000 0.166592 0.389289 1 S S97 1 0.078524 0.789164 0.604716 1 S S98 1 0.166375 0.916275 0.611306 1 S S99 1 0.083067 0.541586 0.610919 1 S S100 1 0.166457 0.666928 0.610640 1 S S101 1 0.249766 0.792134 0.611500 1 S S102 1 0.333263 0.916793 0.610568 1 S S103 1 0.083361 0.291541 0.610734 1 S S104 1 0.166626 0.416661 0.610719 1 S S105 1 0.249848 0.541830 0.610645 1 S S106 1 0.333244 0.667017 0.610582 1 S S107 1 0.416593 0.791882 0.610702 1 S S108 1 0.500000 0.916830 0.610793 1 S S109 1 0.083542 0.041771 0.610676 1 S S110 1 0.166750 0.166619 0.610729 1 S S111 1 0.250000 0.291666 0.610714 1 S S112 1 0.333269 0.416777 0.610696 1 S S113 1 0.416598 0.541861 0.610650 1 S S114 1 0.500002 0.666883 0.610676 1 S S115 1 0.583406 0.791882 0.610702 1 S S116 1 0.666735 0.916795 0.610570 1 S S117 1 0.249902 0.041539 0.610759 1 S S118 1 0.333335 0.166657 0.610705 1 S S119 1 0.416641 0.291743 0.610701 1 S S120 1 0.500000 0.416787 0.610671 1 S S121 1 0.583403 0.541861 0.610649 1 S S122 1 0.666762 0.667017 0.610581 1 S S123 1 0.750230 0.792137 0.611492 1 S S124 1 0.833620 0.916281 0.611307 1 S S125 1 0.416673 0.041759 0.610739 1 S S126 1 0.500000 0.166752 0.610742 1 S S127 1 0.583359 0.291743 0.610701 1 S S128 1 0.666731 0.416778 0.610695 1 S S129 1 0.750155 0.541832 0.610645 1 S S130 1 0.833564 0.666940 0.610628 1 S S131 1 0.921435 0.789196 0.604751 1 S S132 1 0.000001 0.917470 0.611360 1 S S133 1 0.583327 0.041759 0.610738 1 S S134 1 0.666664 0.166658 0.610705 1 S S135 1 0.750000 0.291667 0.610714 1 S S136 1 0.833374 0.416661 0.610718 1 S S137 1 0.916936 0.541587 0.610913 1 S S138 1 0.000010 0.667370 0.608811 1 S S139 1 0.750097 0.041540 0.610760 1 S S140 1 0.833250 0.166619 0.610729 1 S S141 1 0.916639 0.291541 0.610734 1 S S142 1 0.000000 0.416400 0.610752 1 S S143 1 0.916458 0.041771 0.610676 1 S S144 1 0.000000 0.166592 0.610711 1