# generated using pymatgen data_Ti15Nb(Si4W)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63933925 _cell_length_b 6.64280949 _cell_length_c 12.15513272 _cell_angle_alpha 89.95809480 _cell_angle_beta 89.98618623 _cell_angle_gamma 89.99553320 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti15Nb(Si4W)4 _chemical_formula_sum 'Ti15 Nb1 Si16 W4' _cell_volume 536.08818130 _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 Ti Ti0 1 0.35150959 0.49585641 0.87340437 1.0 Ti Ti1 1 0.64883231 0.50489081 0.37158096 1.0 Ti Ti2 1 0.49509402 0.35028708 0.12765385 1.0 Ti Ti3 1 0.50580838 0.65010404 0.62764057 1.0 Ti Ti4 1 0.00475748 0.85035579 0.12221841 1.0 Ti Ti5 1 0.14923842 0.99496894 0.37721551 1.0 Ti Ti6 1 0.85127105 0.00540656 0.87763691 1.0 Ti Ti7 1 0.00265276 0.33959984 0.22144311 1.0 Ti Ti8 1 0.16088364 0.50092046 0.47121057 1.0 Ti Ti9 1 0.83867428 0.49812799 0.97261994 1.0 Ti Ti10 1 0.50228353 0.16108138 0.52834161 1.0 Ti Ti11 1 0.49721516 0.83950222 0.02826735 1.0 Ti Ti12 1 0.99765222 0.65897718 0.72142550 1.0 Ti Ti13 1 0.33862733 0.00208718 0.77863592 1.0 Ti Ti14 1 0.66068146 0.99650578 0.27785531 1.0 Nb Nb15 1 0.99735013 0.15015357 0.62243565 1.0 Si Si16 1 0.04379759 0.30603825 0.81684226 1.0 Si Si17 1 0.19690577 0.54319661 0.06439340 1.0 Si Si18 1 0.80059501 0.45853557 0.56261027 1.0 Si Si19 1 0.54385778 0.19690084 0.93619205 1.0 Si Si20 1 0.45672406 0.80317288 0.43511502 1.0 Si Si21 1 0.95668408 0.69687544 0.31376189 1.0 Si Si22 1 0.30315619 0.04277581 0.18585523 1.0 Si Si23 1 0.69324257 0.95620755 0.68685281 1.0 Si Si24 1 0.29694349 0.36252646 0.67527500 1.0 Si Si25 1 0.13988843 0.79295493 0.92352916 1.0 Si Si26 1 0.85877571 0.20761987 0.42082820 1.0 Si Si27 1 0.79303672 0.13997165 0.07705482 1.0 Si Si28 1 0.20823288 0.85433943 0.57516268 1.0 Si Si29 1 0.70686964 0.63995269 0.17283059 1.0 Si Si30 1 0.35972686 0.29245356 0.32629521 1.0 Si Si31 1 0.64070251 0.70742087 0.82744885 1.0 W W32 1 0.17094733 0.17034420 0.00048266 1.0 W W33 1 0.32930938 0.67021856 0.24982138 1.0 W W34 1 0.67052250 0.33158777 0.75081099 1.0 W W35 1 0.82755073 0.82807782 0.49925001 1.0