# 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 -0.000000 0.749878 0.499999 1 W W2 1 0.083021 0.875438 0.500000 1 W W3 1 0.000000 0.500065 0.500000 1 W W4 1 0.083832 0.625002 0.500000 1 W W5 1 0.166821 0.749620 0.500000 1 W W6 1 0.249913 0.874987 0.500000 1 W W7 1 0.000000 0.249918 0.500000 1 W W8 1 0.083355 0.374894 0.500000 1 W W9 1 0.166293 0.500053 0.500000 1 W W10 1 0.249766 0.625128 0.500000 1 W W11 1 0.333081 0.750280 0.500000 1 W W12 1 0.416735 0.875088 0.500000 1 W W13 1 0.000000 -0.000226 0.500000 1 W W14 1 0.083372 0.124947 0.500000 1 W W15 1 0.166666 0.249917 0.500000 1 W W16 1 0.249964 0.374988 0.500000 1 W W17 1 0.333298 0.499990 0.500000 1 W W18 1 0.416675 0.625065 0.500000 1 W W19 1 0.500000 0.750079 0.500000 1 W W20 1 0.583265 0.875088 0.500000 1 W W21 1 0.166797 -0.000326 0.500000 1 W W22 1 0.250009 0.124958 0.500000 1 W W23 1 0.333327 0.249981 0.500000 1 W W24 1 0.416642 0.375006 0.500000 1 W W25 1 0.500000 0.500031 0.500000 1 W W26 1 0.583325 0.625065 0.500000 1 W W27 1 0.666918 0.750280 0.500000 1 W W28 1 0.750087 0.874987 0.500000 1 W W29 1 0.333388 0.000075 0.500000 1 W W30 1 0.416712 0.125036 0.500000 1 W W31 1 0.500000 0.249988 0.500000 1 W W32 1 0.583358 0.375006 0.500000 1 W W33 1 0.666702 0.499990 0.500000 1 W W34 1 0.750234 0.625128 0.500000 1 W W35 1 0.833179 0.749620 0.500000 1 W W36 1 0.916979 0.875438 0.500000 1 W W37 1 0.500000 0.000043 0.500000 1 W W38 1 0.583288 0.125036 0.500000 1 W W39 1 0.666673 0.249981 0.500000 1 W W40 1 0.750036 0.374988 0.500000 1 W W41 1 0.833706 0.500053 0.500000 1 W W42 1 0.916168 0.625003 0.500000 1 W W43 1 0.666612 0.000075 0.500000 1 W W44 1 0.749991 0.124958 0.500000 1 W W45 1 0.833334 0.249917 0.500000 1 W W46 1 0.916645 0.374894 0.500000 1 W W47 1 0.833203 -0.000326 0.500000 1 W W48 1 0.916628 0.124947 0.500000 1 S S49 1 0.080215 0.790155 0.392982 1 S S50 1 0.166591 0.916308 0.389104 1 S S51 1 0.083011 0.541887 0.389117 1 S S52 1 0.166584 0.666716 0.389090 1 S S53 1 0.249565 0.791801 0.389145 1 S S54 1 0.333373 0.916719 0.389403 1 S S55 1 0.083344 0.291583 0.389284 1 S S56 1 0.166592 0.416696 0.389301 1 S S57 1 0.249829 0.541669 0.389450 1 S S58 1 0.333253 0.666815 0.389455 1 S S59 1 0.416589 0.791738 0.389322 1 S S60 1 0.500000 0.916728 0.389238 1 S S61 1 0.083422 0.041528 0.389436 1 S S62 1 0.166667 0.166597 0.389303 1 S S63 1 0.249983 0.291636 0.389315 1 S S64 1 0.333297 0.416679 0.389321 1 S S65 1 0.416619 0.541711 0.389332 1 S S66 1 0.500000 0.666725 0.389338 1 S S67 1 0.583411 0.791738 0.389322 1 S S68 1 0.666627 0.916719 0.389403 1 S S69 1 0.249982 0.041585 0.389289 1 S S70 1 0.333341 0.166650 0.389308 1 S S71 1 0.416655 0.291668 0.389306 1 S S72 1 0.500000 0.416672 0.389315 1 S S73 1 0.583381 0.541711 0.389332 1 S S74 1 0.666747 0.666815 0.389455 1 S S75 1 0.750435 0.791801 0.389145 1 S S76 1 0.833409 0.916308 0.389104 1 S S77 1 0.416692 0.041716 0.389275 1 S S78 1 0.500000 0.166682 0.389266 1 S S79 1 0.583345 0.291668 0.389306 1 S S80 1 0.666703 0.416679 0.389321 1 S S81 1 0.750171 0.541669 0.389450 1 S S82 1 0.833416 0.666716 0.389090 1 S S83 1 0.919785 0.790155 0.392982 1 S S84 1 0.000000 0.916625 0.389065 1 S S85 1 0.583308 0.041716 0.389275 1 S S86 1 0.666659 0.166650 0.389308 1 S S87 1 0.750017 0.291636 0.389315 1 S S88 1 0.833408 0.416696 0.389301 1 S S89 1 0.916989 0.541887 0.389117 1 S S90 1 0.000000 0.669703 0.392988 1 S S91 1 0.750018 0.041585 0.389289 1 S S92 1 0.833333 0.166597 0.389303 1 S S93 1 0.916656 0.291583 0.389284 1 S S94 1 0.000000 0.416589 0.389421 1 S S95 1 0.916578 0.041528 0.389436 1 S S96 1 0.000000 0.166566 0.389318 1 S S97 1 0.080215 0.790155 0.607018 1 S S98 1 0.166591 0.916308 0.610896 1 S S99 1 0.083011 0.541887 0.610883 1 S S100 1 0.166584 0.666716 0.610910 1 S S101 1 0.249565 0.791801 0.610856 1 S S102 1 0.333373 0.916719 0.610597 1 S S103 1 0.083344 0.291583 0.610716 1 S S104 1 0.166592 0.416696 0.610699 1 S S105 1 0.249829 0.541669 0.610550 1 S S106 1 0.333253 0.666815 0.610545 1 S S107 1 0.416589 0.791738 0.610678 1 S S108 1 0.500000 0.916728 0.610762 1 S S109 1 0.083422 0.041528 0.610564 1 S S110 1 0.166667 0.166597 0.610697 1 S S111 1 0.249983 0.291636 0.610685 1 S S112 1 0.333297 0.416679 0.610679 1 S S113 1 0.416619 0.541711 0.610668 1 S S114 1 0.500000 0.666725 0.610662 1 S S115 1 0.583411 0.791738 0.610678 1 S S116 1 0.666627 0.916719 0.610597 1 S S117 1 0.249982 0.041585 0.610711 1 S S118 1 0.333341 0.166650 0.610692 1 S S119 1 0.416655 0.291668 0.610695 1 S S120 1 0.500000 0.416672 0.610685 1 S S121 1 0.583381 0.541711 0.610668 1 S S122 1 0.666747 0.666815 0.610545 1 S S123 1 0.750435 0.791801 0.610856 1 S S124 1 0.833409 0.916308 0.610896 1 S S125 1 0.416692 0.041716 0.610725 1 S S126 1 0.500000 0.166682 0.610734 1 S S127 1 0.583345 0.291668 0.610695 1 S S128 1 0.666703 0.416679 0.610679 1 S S129 1 0.750171 0.541669 0.610550 1 S S130 1 0.833416 0.666716 0.610910 1 S S131 1 0.919785 0.790155 0.607018 1 S S132 1 0.000000 0.916625 0.610935 1 S S133 1 0.583308 0.041716 0.610725 1 S S134 1 0.666659 0.166650 0.610692 1 S S135 1 0.750017 0.291636 0.610685 1 S S136 1 0.833408 0.416696 0.610699 1 S S137 1 0.916989 0.541887 0.610883 1 S S138 1 -0.000000 0.669703 0.607012 1 S S139 1 0.750018 0.041585 0.610711 1 S S140 1 0.833333 0.166597 0.610697 1 S S141 1 0.916656 0.291583 0.610716 1 S S142 1 0.000000 0.416589 0.610579 1 S S143 1 0.916578 0.041528 0.610564 1 S S144 1 0.000000 0.166566 0.610682 1