# generated using pymatgen data_MnW48S95 _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 MnW48S95 _chemical_formula_sum 'Mn1 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 Mn Mn1 1 0.083322 0.810161 0.361441 1 W W2 1 0.003418 0.750667 0.507875 1 W W3 1 0.083334 0.874534 0.514495 1 W W4 1 0.000149 0.500598 0.500068 1 W W5 1 0.083334 0.626620 0.503887 1 W W6 1 0.163248 0.750668 0.507875 1 W W7 1 0.248177 0.874021 0.505403 1 W W8 1 0.000117 0.249943 0.498999 1 W W9 1 0.083333 0.375363 0.499096 1 W W10 1 0.166517 0.500598 0.500068 1 W W11 1 0.249382 0.625712 0.500876 1 W W12 1 0.332008 0.749803 0.501040 1 W W13 1 0.416215 0.874438 0.500699 1 W W14 1 0.000459 -0.000783 0.502907 1 W W15 1 0.083334 0.124689 0.500430 1 W W16 1 0.166549 0.249943 0.499000 1 W W17 1 0.249857 0.375173 0.498385 1 W W18 1 0.333033 0.500471 0.498461 1 W W19 1 0.416279 0.625146 0.498891 1 W W20 1 0.499556 0.749799 0.499326 1 W W21 1 0.583333 0.874516 0.499642 1 W W22 1 0.166207 -0.000782 0.502908 1 W W23 1 0.249540 0.124539 0.499665 1 W W24 1 0.333079 0.249832 0.498020 1 W W25 1 0.416421 0.375030 0.497345 1 W W26 1 0.499966 0.500087 0.497520 1 W W27 1 0.583333 0.625061 0.498294 1 W W28 1 0.667111 0.749800 0.499326 1 W W29 1 0.750452 0.874438 0.500699 1 W W30 1 0.332626 -0.000578 0.501005 1 W W31 1 0.416362 0.124451 0.498540 1 W W32 1 0.499892 0.249643 0.497172 1 W W33 1 0.583333 0.374980 0.496900 1 W W34 1 0.666700 0.500087 0.497520 1 W W35 1 0.750388 0.625146 0.498891 1 W W36 1 0.834659 0.749803 0.501040 1 W W37 1 0.918490 0.874022 0.505401 1 W W38 1 0.499664 -0.000648 0.499425 1 W W39 1 0.583333 0.124462 0.497990 1 W W40 1 0.666775 0.249643 0.497172 1 W W41 1 0.750246 0.375030 0.497345 1 W W42 1 0.833634 0.500470 0.498460 1 W W43 1 0.917284 0.625712 0.500876 1 W W44 1 0.667003 -0.000648 0.499425 1 W W45 1 0.750305 0.124451 0.498540 1 W W46 1 0.833588 0.249831 0.498018 1 W W47 1 0.916809 0.375174 0.498384 1 W W48 1 0.834040 -0.000579 0.501002 1 W W49 1 0.917127 0.124539 0.499664 1 S S50 1 0.164105 0.912696 0.395097 1 S S51 1 0.083333 0.543792 0.390860 1 S S52 1 0.164137 0.669712 0.393134 1 S S53 1 0.244702 0.791922 0.393409 1 S S54 1 0.331025 0.915294 0.392017 1 S S55 1 0.083334 0.291780 0.388426 1 S S56 1 0.166325 0.417553 0.388545 1 S S57 1 0.249023 0.542922 0.389047 1 S S58 1 0.332133 0.667209 0.389348 1 S S59 1 0.415064 0.791510 0.389616 1 S S60 1 0.499329 0.915844 0.389196 1 S S61 1 0.083334 0.040477 0.391303 1 S S62 1 0.166292 0.166063 0.388968 1 S S63 1 0.249481 0.291621 0.387832 1 S S64 1 0.332757 0.417158 0.387453 1 S S65 1 0.416092 0.542168 0.387596 1 S S66 1 0.499564 0.666928 0.388106 1 S S67 1 0.583334 0.791413 0.388791 1 S S68 1 0.667338 0.915844 0.389196 1 S S69 1 0.248808 0.040214 0.390407 1 S S70 1 0.332604 0.165857 0.388157 1 S S71 1 0.416195 0.291403 0.386951 1 S S72 1 0.499750 0.416814 0.386672 1 S S73 1 0.583333 0.542047 0.387077 1 S S74 1 0.667103 0.666928 0.388106 1 S S75 1 0.751603 0.791511 0.389616 1 S S76 1 0.835642 0.915295 0.392016 1 S S77 1 0.415659 0.040430 0.388975 1 S S78 1 0.499648 0.165761 0.387311 1 S S79 1 0.583333 0.291299 0.386586 1 S S80 1 0.666916 0.416814 0.386672 1 S S81 1 0.750574 0.542169 0.387596 1 S S82 1 0.834534 0.667208 0.389348 1 S S83 1 0.921965 0.791922 0.393407 1 S S84 1 0.002562 0.912695 0.395096 1 S S85 1 0.583333 0.040513 0.388378 1 S S86 1 0.667019 0.165761 0.387310 1 S S87 1 0.750472 0.291403 0.386950 1 S S88 1 0.833909 0.417158 0.387452 1 S S89 1 0.917644 0.542921 0.389047 1 S S90 1 0.002529 0.669712 0.393134 1 S S91 1 0.751008 0.040430 0.388973 1 S S92 1 0.834063 0.165857 0.388156 1 S S93 1 0.917186 0.291622 0.387831 1 S S94 1 0.000342 0.417553 0.388544 1 S S95 1 0.917860 0.040214 0.390406 1 S S96 1 0.000377 0.166064 0.388967 1 S S97 1 0.083334 0.791240 0.622586 1 S S98 1 0.168150 0.917973 0.619334 1 S S99 1 0.083333 0.541436 0.611893 1 S S100 1 0.167499 0.666680 0.615538 1 S S101 1 0.249848 0.790352 0.615603 1 S S102 1 0.333896 0.916444 0.612657 1 S S103 1 0.083333 0.291822 0.609636 1 S S104 1 0.166847 0.416692 0.609757 1 S S105 1 0.250309 0.541739 0.610503 1 S S106 1 0.333547 0.666405 0.610982 1 S S107 1 0.416370 0.790961 0.611002 1 S S108 1 0.500138 0.916246 0.610605 1 S S109 1 0.083334 0.042122 0.612871 1 S S110 1 0.166753 0.166881 0.610449 1 S S111 1 0.250160 0.291777 0.609008 1 S S112 1 0.333502 0.416732 0.608534 1 S S113 1 0.416821 0.541523 0.608888 1 S S114 1 0.500020 0.666324 0.609505 1 S S115 1 0.583334 0.791120 0.610038 1 S S116 1 0.666529 0.916246 0.610605 1 S S117 1 0.249993 0.041982 0.611937 1 S S118 1 0.333397 0.166675 0.609194 1 S S119 1 0.416782 0.291613 0.607915 1 S S120 1 0.500061 0.416547 0.607691 1 S S121 1 0.583333 0.541467 0.608364 1 S S122 1 0.666647 0.666324 0.609505 1 S S123 1 0.750297 0.790961 0.611002 1 S S124 1 0.832772 0.916444 0.612656 1 S S125 1 0.416719 0.041581 0.610269 1 S S126 1 0.500020 0.166536 0.608317 1 S S127 1 0.583334 0.291518 0.607392 1 S S128 1 0.666606 0.416546 0.607692 1 S S129 1 0.749845 0.541523 0.608888 1 S S130 1 0.833120 0.666405 0.610982 1 S S131 1 0.916819 0.790353 0.615604 1 S S132 1 -0.001483 0.917973 0.619333 1 S S133 1 0.583334 0.041432 0.609362 1 S S134 1 0.666647 0.166536 0.608316 1 S S135 1 0.749885 0.291613 0.607914 1 S S136 1 0.833164 0.416732 0.608533 1 S S137 1 0.916357 0.541738 0.610503 1 S S138 1 -0.000832 0.666679 0.615539 1 S S139 1 0.749948 0.041582 0.610268 1 S S140 1 0.833269 0.166674 0.609192 1 S S141 1 0.916507 0.291778 0.609006 1 S S142 1 -0.000181 0.416692 0.609756 1 S S143 1 0.916674 0.041983 0.611935 1 S S144 1 -0.000087 0.166881 0.610449 1