# generated using pymatgen data_Sc8Ti7Si16W5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58848758 _cell_length_b 6.76836017 _cell_length_c 12.85182914 _cell_angle_alpha 89.96390758 _cell_angle_beta 90.09974402 _cell_angle_gamma 89.97091397 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Ti7Si16W5 _chemical_formula_sum 'Sc8 Ti7 Si16 W5' _cell_volume 573.10386252 _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 Sc Sc0 1 0.49847097 0.67171417 0.59487386 1.0 Sc Sc1 1 0.00176681 0.82642750 0.90305457 1.0 Sc Sc2 1 0.49875621 0.32615631 0.09641290 1.0 Sc Sc3 1 0.00040504 0.17397047 0.40663767 1.0 Sc Sc4 1 0.49968230 0.32651989 0.40439747 1.0 Sc Sc5 1 0.99901394 0.17341866 0.09588111 1.0 Sc Sc6 1 0.50083528 0.67251530 0.90432139 1.0 Sc Sc7 1 0.00113967 0.82574614 0.59544975 1.0 Ti Ti8 1 0.66314055 0.17334876 0.62595851 1.0 Ti Ti9 1 0.16722751 0.32836337 0.87299468 1.0 Ti Ti10 1 0.33418272 0.82805892 0.12633649 1.0 Ti Ti11 1 0.83561316 0.67184343 0.37418353 1.0 Ti Ti12 1 0.33480825 0.82711565 0.37445671 1.0 Ti Ti13 1 0.83346712 0.67212093 0.12652784 1.0 Ti Ti14 1 0.66578100 0.17231247 0.87164214 1.0 Si Si15 1 0.66541919 0.96518411 0.45899262 1.0 Si Si16 1 0.16536456 0.53592436 0.04093106 1.0 Si Si17 1 0.33426598 0.03616687 0.95876326 1.0 Si Si18 1 0.83675375 0.46458752 0.54161858 1.0 Si Si19 1 0.33116498 0.03688035 0.54099949 1.0 Si Si20 1 0.83556685 0.46372438 0.95855054 1.0 Si Si21 1 0.66433133 0.96460145 0.04119117 1.0 Si Si22 1 0.16813461 0.53747063 0.46049043 1.0 Si Si23 1 0.46337039 0.38542896 0.75015793 1.0 Si Si24 1 0.96442537 0.11640930 0.74902930 1.0 Si Si25 1 0.53583020 0.61527954 0.25026425 1.0 Si Si26 1 0.03654719 0.88388932 0.25033899 1.0 Si Si27 1 0.70354871 0.86251718 0.74885937 1.0 Si Si28 1 0.20342550 0.63733251 0.75037798 1.0 Si Si29 1 0.29523944 0.13724438 0.25059983 1.0 Si Si30 1 0.79578951 0.36171495 0.25023546 1.0 W W31 1 0.16734418 0.32920044 0.62625317 1.0 W W32 1 0.83830023 0.49202271 0.74923830 1.0 W W33 1 0.33965526 0.00708446 0.74932513 1.0 W W34 1 0.16087690 0.50575035 0.25037022 1.0 W W35 1 0.66035733 0.99195627 0.25028629 1.0