# generated using pymatgen data_Ta2Ti17Si16W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67345414 _cell_length_b 6.67345322 _cell_length_c 12.20051855 _cell_angle_alpha 89.98956991 _cell_angle_beta 90.01043034 _cell_angle_gamma 90.02617608 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Ti17Si16W _chemical_formula_sum 'Ta2 Ti17 Si16 W1' _cell_volume 543.34982398 _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 Ta Ta0 1 0.32851770 0.67082589 0.24945937 1.0 Ta Ta1 1 0.67082589 0.32851770 0.75054063 1.0 Ti Ti2 1 0.99569537 0.14997056 0.62190692 1.0 Ti Ti3 1 0.35055149 0.49460275 0.87193896 1.0 Ti Ti4 1 0.64930123 0.50514885 0.37171620 1.0 Ti Ti5 1 0.49460275 0.35055149 0.12806104 1.0 Ti Ti6 1 0.50514885 0.64930123 0.62828380 1.0 Ti Ti7 1 0.00563482 0.84989203 0.12049430 1.0 Ti Ti8 1 0.14997056 0.99569537 0.37809308 1.0 Ti Ti9 1 0.84989203 0.00563482 0.87950570 1.0 Ti Ti10 1 0.00412675 0.34439285 0.21972494 1.0 Ti Ti11 1 0.15767225 0.50431670 0.46915584 1.0 Ti Ti12 1 0.84052559 0.49525548 0.97009387 1.0 Ti Ti13 1 0.50431670 0.15767225 0.53084416 1.0 Ti Ti14 1 0.49525548 0.84052559 0.02990613 1.0 Ti Ti15 1 0.99669675 0.65713059 0.72029439 1.0 Ti Ti16 1 0.34439285 0.00412675 0.78027506 1.0 Ti Ti17 1 0.65713059 0.99669675 0.27970561 1.0 Ti Ti18 1 0.83015770 0.83015770 0.50000000 1.0 Si Si19 1 0.04719007 0.30027778 0.81340076 1.0 Si Si20 1 0.19681079 0.54265212 0.06169471 1.0 Si Si21 1 0.80352004 0.45668335 0.56167141 1.0 Si Si22 1 0.54265212 0.19681079 0.93830529 1.0 Si Si23 1 0.45668335 0.80352004 0.43832859 1.0 Si Si24 1 0.95270191 0.69995080 0.31392053 1.0 Si Si25 1 0.30027778 0.04719007 0.18659924 1.0 Si Si26 1 0.69995080 0.95270191 0.68607947 1.0 Si Si27 1 0.29206178 0.35989973 0.67221919 1.0 Si Si28 1 0.14035224 0.79325812 0.92183887 1.0 Si Si29 1 0.85851554 0.20621235 0.42309937 1.0 Si Si30 1 0.79325812 0.14035224 0.07816113 1.0 Si Si31 1 0.20621235 0.85851554 0.57690063 1.0 Si Si32 1 0.70781907 0.64098267 0.17279907 1.0 Si Si33 1 0.35989973 0.29206178 0.32778081 1.0 Si Si34 1 0.64098267 0.70781907 0.82720093 1.0 W W35 1 0.17068926 0.17068926 0.00000000 1.0