# generated using pymatgen data_Sc8Ti5Si16W7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56094807 _cell_length_b 6.76093334 _cell_length_c 12.79436639 _cell_angle_alpha 89.96193451 _cell_angle_beta 89.96598198 _cell_angle_gamma 89.98444841 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Ti5Si16W7 _chemical_formula_sum 'Sc8 Ti5 Si16 W7' _cell_volume 567.53395444 _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 0.49875277 0.67103030 0.59481616 1.0 Sc Sc1 1 0.99823962 0.82864240 0.90642006 1.0 Sc Sc2 1 0.50128351 0.32832482 0.09431182 1.0 Sc Sc3 1 0.00033986 0.17307690 0.40558599 1.0 Sc Sc4 1 0.50077050 0.32802110 0.40507341 1.0 Sc Sc5 1 0.00056509 0.17437221 0.09495488 1.0 Sc Sc6 1 0.49935928 0.67399196 0.90545213 1.0 Sc Sc7 1 0.99956851 0.82626754 0.59424745 1.0 Ti Ti8 1 0.66352950 0.17210574 0.62565974 1.0 Ti Ti9 1 0.16272380 0.32800811 0.87485464 1.0 Ti Ti10 1 0.33824671 0.82786329 0.12493067 1.0 Ti Ti11 1 0.83536711 0.67108409 0.37417221 1.0 Ti Ti12 1 0.33386350 0.82716044 0.37348434 1.0 Si Si13 1 0.66730555 0.96460101 0.45886914 1.0 Si Si14 1 0.16591521 0.53573278 0.04115605 1.0 Si Si15 1 0.33423381 0.03627239 0.95902720 1.0 Si Si16 1 0.83415443 0.46351667 0.54102556 1.0 Si Si17 1 0.33174770 0.03612539 0.54044184 1.0 Si Si18 1 0.83130027 0.46220292 0.95984819 1.0 Si Si19 1 0.66879794 0.96379380 0.04063808 1.0 Si Si20 1 0.16822681 0.53729747 0.46049157 1.0 Si Si21 1 0.46378018 0.38458691 0.75111273 1.0 Si Si22 1 0.96362905 0.11530580 0.74931919 1.0 Si Si23 1 0.53723271 0.61559810 0.25036956 1.0 Si Si24 1 0.03609792 0.88315050 0.24904872 1.0 Si Si25 1 0.70198202 0.86234700 0.74837103 1.0 Si Si26 1 0.20164879 0.63815080 0.75145109 1.0 Si Si27 1 0.29686329 0.13718820 0.24972982 1.0 Si Si28 1 0.79776466 0.36217244 0.25056377 1.0 W W29 1 0.83179080 0.67025860 0.12399704 1.0 W W30 1 0.66805471 0.17047832 0.87427619 1.0 W W31 1 0.16751399 0.32863884 0.62704501 1.0 W W32 1 0.83746968 0.49425238 0.75008814 1.0 W W33 1 0.33801733 0.00739237 0.75076184 1.0 W W34 1 0.16233933 0.50716812 0.24919245 1.0 W W35 1 0.66152505 0.99382128 0.24921528 1.0