# generated using pymatgen data_Ti20Ga7S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.57586798 _cell_length_b 7.66254251 _cell_length_c 9.80774377 _cell_angle_alpha 89.88943039 _cell_angle_beta 89.90922090 _cell_angle_gamma 90.00513911 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti20Ga7S5 _chemical_formula_sum 'Ti20 Ga7 S5' _cell_volume 494.18975456 _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 0.81826755 0.55372888 0.05789087 1.0 Ti Ti1 1 0.67993778 0.94359043 0.56250121 1.0 Ti Ti2 1 0.18325277 0.05525004 0.93924095 1.0 Ti Ti3 1 0.31902979 0.44582880 0.44079871 1.0 Ti Ti4 1 0.18208966 0.44853019 0.93742386 1.0 Ti Ti5 1 0.31913114 0.05380341 0.43940142 1.0 Ti Ti6 1 0.81710235 0.94695728 0.05978384 1.0 Ti Ti7 1 0.67777102 0.55191054 0.56669705 1.0 Ti Ti8 1 0.16350705 0.75109882 0.21774863 1.0 Ti Ti9 1 0.34368250 0.74022636 0.71708023 1.0 Ti Ti10 1 0.83156360 0.25763582 0.78305915 1.0 Ti Ti11 1 0.66451029 0.24981865 0.28120589 1.0 Ti Ti12 1 0.47667848 0.74177652 0.99902510 1.0 Ti Ti13 1 0.02051890 0.75147238 0.50240176 1.0 Ti Ti14 1 0.52529510 0.25835404 0.99605718 1.0 Ti Ti15 1 0.97650449 0.24807837 0.49913814 1.0 Ti Ti16 1 0.65186719 0.74985633 0.29076323 1.0 Ti Ti17 1 0.84864952 0.74498408 0.79302176 1.0 Ti Ti18 1 0.34881132 0.25528876 0.70809752 1.0 Ti Ti19 1 0.15205359 0.24900327 0.20875746 1.0 Ga Ga20 1 0.93339938 0.50662748 0.32558078 1.0 Ga Ga21 1 0.56556049 0.99322634 0.82612998 1.0 Ga Ga22 1 0.06779963 0.00686875 0.67744146 1.0 Ga Ga23 1 0.43183426 0.49290336 0.17768247 1.0 Ga Ga24 1 0.06721631 0.49314044 0.67251882 1.0 Ga Ga25 1 0.43465183 0.00674795 0.17102573 1.0 Ga Ga26 1 0.93277017 0.99317368 0.32492949 1.0 S S27 1 0.40072750 0.74965776 0.47285360 1.0 S S28 1 0.09622672 0.75198620 0.97627698 1.0 S S29 1 0.59683306 0.24767867 0.52428758 1.0 S S30 1 0.90511440 0.25032526 0.02546089 1.0 S S31 1 0.56764015 0.51047312 0.82572027 1.0