# generated using pymatgen data_Ti3GaAuO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90124142 _cell_length_b 6.90124142 _cell_length_c 6.90124142 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3GaAuO _chemical_formula_sum 'Ti12 Ga4 Au4 O4' _cell_volume 328.68634398 _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 0.78706320 0.95501527 0.37865578 1.0 Ti Ti1 1 0.71293680 0.04498473 0.87865578 1.0 Ti Ti2 1 0.21293680 0.45501527 0.12134422 1.0 Ti Ti3 1 0.28706320 0.54498473 0.62134422 1.0 Ti Ti4 1 0.95501527 0.37865578 0.78706320 1.0 Ti Ti5 1 0.04498473 0.87865578 0.71293680 1.0 Ti Ti6 1 0.45501527 0.12134422 0.21293680 1.0 Ti Ti7 1 0.54498473 0.62134422 0.28706320 1.0 Ti Ti8 1 0.37865578 0.78706320 0.95501527 1.0 Ti Ti9 1 0.87865578 0.71293680 0.04498473 1.0 Ti Ti10 1 0.12134422 0.21293680 0.45501527 1.0 Ti Ti11 1 0.62134422 0.28706320 0.54498473 1.0 Ga Ga12 1 0.56970177 0.43029823 0.93029823 1.0 Ga Ga13 1 0.43029823 0.93029823 0.56970177 1.0 Ga Ga14 1 0.93029823 0.56970177 0.43029823 1.0 Ga Ga15 1 0.06970177 0.06970177 0.06970177 1.0 Au Au16 1 0.18153575 0.81846425 0.31846425 1.0 Au Au17 1 0.31846425 0.18153575 0.81846425 1.0 Au Au18 1 0.81846425 0.31846425 0.18153575 1.0 Au Au19 1 0.68153575 0.68153575 0.68153575 1.0 O O20 1 0.87462627 0.12537373 0.62537373 1.0 O O21 1 0.62537373 0.87462627 0.12537373 1.0 O O22 1 0.12537373 0.62537373 0.87462627 1.0 O O23 1 0.37462627 0.37462627 0.37462627 1.0