# generated using pymatgen data_Ti3Ga2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83074899 _cell_length_b 6.83074899 _cell_length_c 6.83074899 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Ga2O _chemical_formula_sum 'Ti12 Ga8 O4' _cell_volume 318.71681741 _cell_formula_units_Z 4 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 0.79343430 0.95656570 0.37500000 1.0 Ti Ti1 1 0.70656570 0.04343430 0.87500000 1.0 Ti Ti2 1 0.20656570 0.45656570 0.12500000 1.0 Ti Ti3 1 0.29343430 0.54343430 0.62500000 1.0 Ti Ti4 1 0.95656570 0.37500000 0.79343430 1.0 Ti Ti5 1 0.04343430 0.87500000 0.70656570 1.0 Ti Ti6 1 0.45656570 0.12500000 0.20656570 1.0 Ti Ti7 1 0.54343430 0.62500000 0.29343430 1.0 Ti Ti8 1 0.37500000 0.79343430 0.95656570 1.0 Ti Ti9 1 0.87500000 0.70656570 0.04343430 1.0 Ti Ti10 1 0.12500000 0.20656570 0.45656570 1.0 Ti Ti11 1 0.62500000 0.29343430 0.54343430 1.0 Ga Ga12 1 0.17981700 0.82018300 0.32018300 1.0 Ga Ga13 1 0.32018300 0.17981700 0.82018300 1.0 Ga Ga14 1 0.82018300 0.32018300 0.17981700 1.0 Ga Ga15 1 0.67981700 0.67981700 0.67981700 1.0 Ga Ga16 1 0.57018300 0.42981700 0.92981700 1.0 Ga Ga17 1 0.42981700 0.92981700 0.57018300 1.0 Ga Ga18 1 0.92981700 0.57018300 0.42981700 1.0 Ga Ga19 1 0.07018300 0.07018300 0.07018300 1.0 O O20 1 0.87500000 0.12500000 0.62500000 1.0 O O21 1 0.62500000 0.87500000 0.12500000 1.0 O O22 1 0.12500000 0.62500000 0.87500000 1.0 O O23 1 0.37500000 0.37500000 0.37500000 1.0