# generated using pymatgen data_SrW48S95 _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 SrW48S95 _chemical_formula_sum 'Sr1 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 Sr Sr1 1 0.083333 0.792077 0.302529 1 W W2 1 0.003395 0.751697 0.513805 1 W W3 1 0.083333 0.871625 0.513775 1 W W4 1 0.000030 0.500929 0.500804 1 W W5 1 0.083333 0.627067 0.506332 1 W W6 1 0.163272 0.751696 0.513806 1 W W7 1 0.247977 0.873959 0.506202 1 W W8 1 0.000146 0.250246 0.498612 1 W W9 1 0.083333 0.375631 0.499327 1 W W10 1 0.166637 0.500929 0.500804 1 W W11 1 0.249351 0.626176 0.501748 1 W W12 1 0.331960 0.749905 0.501621 1 W W13 1 0.415996 0.874439 0.500720 1 W W14 1 0.000811 -0.000978 0.501905 1 W W15 1 0.083333 0.124947 0.499395 1 W W16 1 0.166520 0.250246 0.498612 1 W W17 1 0.249784 0.375472 0.498691 1 W W18 1 0.333035 0.500583 0.498720 1 W W19 1 0.416466 0.625135 0.498747 1 W W20 1 0.499602 0.749799 0.498737 1 W W21 1 0.583333 0.874564 0.499284 1 W W22 1 0.165855 -0.000978 0.501905 1 W W23 1 0.249508 0.124669 0.499295 1 W W24 1 0.332985 0.250007 0.498361 1 W W25 1 0.416472 0.375203 0.497919 1 W W26 1 0.499897 0.500153 0.497677 1 W W27 1 0.583333 0.625005 0.497803 1 W W28 1 0.667064 0.749799 0.498738 1 W W29 1 0.750671 0.874439 0.500721 1 W W30 1 0.332508 -0.000513 0.500969 1 W W31 1 0.416281 0.124618 0.499095 1 W W32 1 0.499832 0.249838 0.498184 1 W W33 1 0.583333 0.375039 0.497694 1 W W34 1 0.666770 0.500153 0.497677 1 W W35 1 0.750200 0.625135 0.498747 1 W W36 1 0.834707 0.749905 0.501621 1 W W37 1 0.918690 0.873958 0.506202 1 W W38 1 0.499689 -0.000545 0.499656 1 W W39 1 0.583333 0.124572 0.498807 1 W W40 1 0.666834 0.249837 0.498183 1 W W41 1 0.750194 0.375203 0.497919 1 W W42 1 0.833632 0.500582 0.498720 1 W W43 1 0.917316 0.626176 0.501748 1 W W44 1 0.666978 -0.000545 0.499657 1 W W45 1 0.750385 0.124618 0.499095 1 W W46 1 0.833682 0.250007 0.498361 1 W W47 1 0.916883 0.375472 0.498691 1 W W48 1 0.834159 -0.000514 0.500969 1 W W49 1 0.917159 0.124669 0.499296 1 S S50 1 0.163445 0.911607 0.395694 1 S S51 1 0.083333 0.544550 0.392307 1 S S52 1 0.163104 0.671686 0.395743 1 S S53 1 0.243206 0.791805 0.395669 1 S S54 1 0.330632 0.915243 0.392291 1 S S55 1 0.083333 0.292331 0.388130 1 S S56 1 0.166314 0.417984 0.388936 1 S S57 1 0.248908 0.543336 0.389665 1 S S58 1 0.331969 0.667350 0.389898 1 S S59 1 0.414781 0.791556 0.389589 1 S S60 1 0.499163 0.916032 0.389221 1 S S61 1 0.083333 0.040558 0.390287 1 S S62 1 0.166483 0.166436 0.388303 1 S S63 1 0.249655 0.292013 0.387842 1 S S64 1 0.332806 0.417257 0.387774 1 S S65 1 0.416087 0.542082 0.387524 1 S S66 1 0.499548 0.666845 0.387506 1 S S67 1 0.583333 0.791531 0.388188 1 S S68 1 0.667504 0.916032 0.389221 1 S S69 1 0.248926 0.040259 0.390030 1 S S70 1 0.332830 0.166126 0.388339 1 S S71 1 0.416340 0.291544 0.387606 1 S S72 1 0.499811 0.416730 0.387103 1 S S73 1 0.583333 0.541794 0.386884 1 S S74 1 0.667119 0.666845 0.387506 1 S S75 1 0.751885 0.791556 0.389589 1 S S76 1 0.836035 0.915243 0.392292 1 S S77 1 0.415745 0.040684 0.389346 1 S S78 1 0.499705 0.166024 0.388196 1 S S79 1 0.583333 0.291366 0.387517 1 S S80 1 0.666855 0.416730 0.387103 1 S S81 1 0.750580 0.542082 0.387525 1 S S82 1 0.834698 0.667350 0.389899 1 S S83 1 0.923460 0.791805 0.395669 1 S S84 1 0.003222 0.911607 0.395695 1 S S85 1 0.583333 0.040823 0.388808 1 S S86 1 0.666962 0.166024 0.388196 1 S S87 1 0.750326 0.291544 0.387606 1 S S88 1 0.833861 0.417256 0.387773 1 S S89 1 0.917759 0.543336 0.389666 1 S S90 1 0.003563 0.671686 0.395744 1 S S91 1 0.750922 0.040684 0.389346 1 S S92 1 0.833836 0.166126 0.388339 1 S S93 1 0.917012 0.292013 0.387842 1 S S94 1 0.000353 0.417984 0.388936 1 S S95 1 0.917740 0.040258 0.390030 1 S S96 1 0.000184 0.166435 0.388303 1 S S97 1 0.083334 0.791693 0.628066 1 S S98 1 0.166329 0.917844 0.618191 1 S S99 1 0.083333 0.541235 0.613028 1 S S100 1 0.168056 0.666353 0.618252 1 S S101 1 0.251106 0.790766 0.618124 1 S S102 1 0.333868 0.916710 0.612914 1 S S103 1 0.083333 0.291915 0.609465 1 S S104 1 0.166849 0.416795 0.610274 1 S S105 1 0.250599 0.541948 0.611035 1 S S106 1 0.334057 0.666367 0.611240 1 S S107 1 0.416872 0.790974 0.610887 1 S S108 1 0.500170 0.916179 0.610462 1 S S109 1 0.083333 0.042320 0.611570 1 S S110 1 0.166553 0.167050 0.609735 1 S S111 1 0.249895 0.291925 0.609105 1 S S112 1 0.333429 0.416926 0.608980 1 S S113 1 0.416911 0.541655 0.609057 1 S S114 1 0.500229 0.666405 0.609092 1 S S115 1 0.583333 0.791103 0.609433 1 S S116 1 0.666496 0.916179 0.610462 1 S S117 1 0.249476 0.041937 0.611293 1 S S118 1 0.333031 0.166787 0.609422 1 S S119 1 0.416510 0.291810 0.608596 1 S S120 1 0.500001 0.416780 0.608318 1 S S121 1 0.583333 0.541638 0.608351 1 S S122 1 0.666437 0.666405 0.609092 1 S S123 1 0.749795 0.790973 0.610887 1 S S124 1 0.832799 0.916710 0.612914 1 S S125 1 0.416585 0.041582 0.610477 1 S S126 1 0.499916 0.166586 0.609147 1 S S127 1 0.583333 0.291721 0.608469 1 S S128 1 0.666665 0.416780 0.608318 1 S S129 1 0.749755 0.541654 0.609057 1 S S130 1 0.832610 0.666368 0.611240 1 S S131 1 0.915561 0.790766 0.618124 1 S S132 1 0.000338 0.917844 0.618191 1 S S133 1 0.583333 0.041393 0.609846 1 S S134 1 0.666750 0.166586 0.609147 1 S S135 1 0.750157 0.291810 0.608596 1 S S136 1 0.833238 0.416926 0.608980 1 S S137 1 0.916068 0.541948 0.611035 1 S S138 1 -0.001389 0.666352 0.618253 1 S S139 1 0.750082 0.041582 0.610478 1 S S140 1 0.833636 0.166787 0.609422 1 S S141 1 0.916772 0.291925 0.609105 1 S S142 1 -0.000182 0.416795 0.610274 1 S S143 1 0.917191 0.041937 0.611294 1 S S144 1 0.000114 0.167050 0.609735 1