# generated using pymatgen data_CrW47S96 _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 CrW47S96 _chemical_formula_sum 'Cr1 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 Cr Cr1 1 -0.000016 0.754789 0.500000 1 W W2 1 0.083907 0.874863 0.499999 1 W W3 1 0.000000 0.500215 0.500000 1 W W4 1 0.084721 0.624444 0.500000 1 W W5 1 0.168107 0.749169 0.499999 1 W W6 1 0.250281 0.874933 0.500000 1 W W7 1 -0.000000 0.249709 0.500000 1 W W8 1 0.083256 0.374762 0.500000 1 W W9 1 0.165788 0.500143 0.500000 1 W W10 1 0.249840 0.625044 0.499999 1 W W11 1 0.333136 0.750413 0.499999 1 W W12 1 0.416744 0.875098 0.499999 1 W W13 1 -0.000000 -0.000845 0.499999 1 W W14 1 0.083370 0.124558 0.500000 1 W W15 1 0.166606 0.249692 0.500000 1 W W16 1 0.249823 0.374992 0.500000 1 W W17 1 0.333228 0.500040 0.500000 1 W W18 1 0.416739 0.625185 0.500000 1 W W19 1 0.500000 0.750198 0.500000 1 W W20 1 0.583256 0.875098 0.499999 1 W W21 1 0.166963 -0.000473 0.499999 1 W W22 1 0.249938 0.124822 0.500000 1 W W23 1 0.333233 0.250002 0.500000 1 W W24 1 0.416503 0.375066 0.500000 1 W W25 1 0.500000 0.500287 0.500000 1 W W26 1 0.583262 0.625185 0.500000 1 W W27 1 0.666864 0.750413 0.500000 1 W W28 1 0.749717 0.874935 0.500000 1 W W29 1 0.333403 0.000001 0.500000 1 W W30 1 0.416760 0.124992 0.500000 1 W W31 1 0.500000 0.250001 0.500000 1 W W32 1 0.583496 0.375066 0.500000 1 W W33 1 0.666773 0.500041 0.500000 1 W W34 1 0.750164 0.625046 0.500000 1 W W35 1 0.831898 0.749175 0.500000 1 W W36 1 0.916094 0.874864 0.500000 1 W W37 1 0.500000 0.000075 0.500000 1 W W38 1 0.583239 0.124992 0.500000 1 W W39 1 0.666767 0.250002 0.500000 1 W W40 1 0.750177 0.374992 0.500000 1 W W41 1 0.834213 0.500143 0.500000 1 W W42 1 0.915287 0.624443 0.500000 1 W W43 1 0.666597 0.000002 0.499999 1 W W44 1 0.750062 0.124823 0.500000 1 W W45 1 0.833394 0.249692 0.500000 1 W W46 1 0.916743 0.374763 0.500000 1 W W47 1 0.833037 -0.000472 0.499999 1 W W48 1 0.916630 0.124558 0.499999 1 S S49 1 0.082434 0.790831 0.391645 1 S S50 1 0.166948 0.916247 0.389162 1 S S51 1 0.082832 0.541877 0.388668 1 S S52 1 0.166882 0.666532 0.389173 1 S S53 1 0.250006 0.791843 0.388919 1 S S54 1 0.333501 0.916711 0.389421 1 S S55 1 0.083304 0.291403 0.389461 1 S S56 1 0.166413 0.416734 0.389511 1 S S57 1 0.249743 0.541578 0.389590 1 S S58 1 0.333291 0.666766 0.389509 1 S S59 1 0.416616 0.791787 0.389402 1 S S60 1 0.500000 0.916771 0.389398 1 S S61 1 0.083331 0.041055 0.389622 1 S S62 1 0.166593 0.166343 0.389480 1 S S63 1 0.249841 0.291611 0.389531 1 S S64 1 0.333151 0.416726 0.389526 1 S S65 1 0.416557 0.541851 0.389519 1 S S66 1 0.500000 0.666907 0.389469 1 S S67 1 0.583384 0.791788 0.389402 1 S S68 1 0.666498 0.916713 0.389421 1 S S69 1 0.250028 0.041500 0.389407 1 S S70 1 0.333288 0.166594 0.389553 1 S S71 1 0.416623 0.291708 0.389549 1 S S72 1 0.499999 0.416833 0.389636 1 S S73 1 0.583444 0.541851 0.389519 1 S S74 1 0.666711 0.666766 0.389510 1 S S75 1 0.749993 0.791844 0.388921 1 S S76 1 0.833052 0.916248 0.389163 1 S S77 1 0.416678 0.041683 0.389436 1 S S78 1 0.500000 0.166712 0.389471 1 S S79 1 0.583376 0.291709 0.389549 1 S S80 1 0.666848 0.416727 0.389526 1 S S81 1 0.750260 0.541579 0.389591 1 S S82 1 0.833124 0.666533 0.389174 1 S S83 1 0.917556 0.790839 0.391633 1 S S84 1 0.000001 0.915774 0.389526 1 S S85 1 0.583321 0.041683 0.389436 1 S S86 1 0.666712 0.166595 0.389554 1 S S87 1 0.750159 0.291611 0.389531 1 S S88 1 0.833587 0.416734 0.389511 1 S S89 1 0.917169 0.541876 0.388668 1 S S90 1 0.000001 0.671395 0.395116 1 S S91 1 0.749973 0.041501 0.389407 1 S S92 1 0.833407 0.166343 0.389480 1 S S93 1 0.916696 0.291403 0.389461 1 S S94 1 0.000000 0.416625 0.389641 1 S S95 1 0.916670 0.041056 0.389622 1 S S96 1 -0.000001 0.166252 0.389566 1 S S97 1 0.082434 0.790831 0.608356 1 S S98 1 0.166948 0.916247 0.610839 1 S S99 1 0.082832 0.541877 0.611332 1 S S100 1 0.166882 0.666532 0.610828 1 S S101 1 0.250006 0.791843 0.611082 1 S S102 1 0.333501 0.916711 0.610579 1 S S103 1 0.083304 0.291403 0.610539 1 S S104 1 0.166414 0.416735 0.610488 1 S S105 1 0.249743 0.541578 0.610410 1 S S106 1 0.333291 0.666766 0.610491 1 S S107 1 0.416616 0.791787 0.610598 1 S S108 1 0.500000 0.916771 0.610603 1 S S109 1 0.083331 0.041055 0.610379 1 S S110 1 0.166593 0.166343 0.610520 1 S S111 1 0.249841 0.291611 0.610469 1 S S112 1 0.333151 0.416726 0.610475 1 S S113 1 0.416557 0.541851 0.610481 1 S S114 1 0.500000 0.666907 0.610531 1 S S115 1 0.583384 0.791788 0.610598 1 S S116 1 0.666498 0.916713 0.610580 1 S S117 1 0.250028 0.041500 0.610594 1 S S118 1 0.333288 0.166595 0.610447 1 S S119 1 0.416623 0.291708 0.610451 1 S S120 1 0.499999 0.416833 0.610364 1 S S121 1 0.583444 0.541851 0.610481 1 S S122 1 0.666711 0.666766 0.610490 1 S S123 1 0.749993 0.791844 0.611080 1 S S124 1 0.833052 0.916248 0.610837 1 S S125 1 0.416678 0.041683 0.610564 1 S S126 1 0.500000 0.166712 0.610529 1 S S127 1 0.583376 0.291709 0.610451 1 S S128 1 0.666848 0.416726 0.610474 1 S S129 1 0.750260 0.541579 0.610409 1 S S130 1 0.833124 0.666533 0.610826 1 S S131 1 0.917556 0.790839 0.608367 1 S S132 1 0.000001 0.915774 0.610474 1 S S133 1 0.583321 0.041683 0.610564 1 S S134 1 0.666712 0.166595 0.610446 1 S S135 1 0.750159 0.291611 0.610469 1 S S136 1 0.833587 0.416734 0.610489 1 S S137 1 0.917169 0.541876 0.611332 1 S S138 1 0.000001 0.671395 0.604884 1 S S139 1 0.749973 0.041501 0.610593 1 S S140 1 0.833407 0.166343 0.610520 1 S S141 1 0.916696 0.291403 0.610539 1 S S142 1 0.000000 0.416625 0.610360 1 S S143 1 0.916670 0.041056 0.610379 1 S S144 1 -0.000001 0.166252 0.610434 1