# generated using pymatgen data_Ti19Si16Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66990128 _cell_length_b 6.66990128 _cell_length_c 12.16697025 _cell_angle_alpha 89.99890768 _cell_angle_beta 90.00109232 _cell_angle_gamma 90.03992281 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti19Si16Mo _chemical_formula_sum 'Ti19 Si16 Mo1' _cell_volume 541.27896782 _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 0.99579345 0.14904986 0.62243116 1.0 Ti Ti1 1 0.34990698 0.49553796 0.87169789 1.0 Ti Ti2 1 0.65001736 0.50402063 0.37169593 1.0 Ti Ti3 1 0.49553796 0.34990698 0.12830211 1.0 Ti Ti4 1 0.50402063 0.65001736 0.62830407 1.0 Ti Ti5 1 0.00568287 0.85121621 0.12126522 1.0 Ti Ti6 1 0.14904986 0.99579345 0.37756884 1.0 Ti Ti7 1 0.85121621 0.00568287 0.87873478 1.0 Ti Ti8 1 0.00419686 0.34449234 0.21888333 1.0 Ti Ti9 1 0.15522784 0.50275633 0.46870818 1.0 Ti Ti10 1 0.84314532 0.49666037 0.96904472 1.0 Ti Ti11 1 0.50275633 0.15522784 0.53129182 1.0 Ti Ti12 1 0.49666037 0.84314532 0.03095528 1.0 Ti Ti13 1 0.99706832 0.65693701 0.71907215 1.0 Ti Ti14 1 0.34449234 0.00419686 0.78111667 1.0 Ti Ti15 1 0.65693701 0.99706832 0.28092785 1.0 Ti Ti16 1 0.32887787 0.67041432 0.24927971 1.0 Ti Ti17 1 0.67041432 0.32887787 0.75072029 1.0 Ti Ti18 1 0.82874680 0.82874680 0.50000000 1.0 Si Si19 1 0.04492715 0.30154278 0.81273330 1.0 Si Si20 1 0.19926760 0.54420358 0.06335028 1.0 Si Si21 1 0.80080540 0.45470179 0.56341768 1.0 Si Si22 1 0.54420358 0.19926760 0.93664972 1.0 Si Si23 1 0.45470179 0.80080540 0.43658232 1.0 Si Si24 1 0.95520417 0.69864865 0.31323337 1.0 Si Si25 1 0.30154278 0.04492715 0.18726670 1.0 Si Si26 1 0.69864865 0.95520417 0.68676663 1.0 Si Si27 1 0.29457652 0.35797310 0.67307107 1.0 Si Si28 1 0.14133651 0.79354128 0.92218859 1.0 Si Si29 1 0.85793000 0.20574311 0.42355894 1.0 Si Si30 1 0.79354128 0.14133651 0.07781141 1.0 Si Si31 1 0.20574311 0.85793000 0.57644106 1.0 Si Si32 1 0.70572392 0.64266673 0.17326619 1.0 Si Si33 1 0.35797310 0.29457652 0.32692893 1.0 Si Si34 1 0.64266673 0.70572392 0.82673381 1.0 Mo Mo35 1 0.17145802 0.17145802 0.00000000 1.0