# generated using pymatgen data_Ti12Ga5Ir3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82317862 _cell_length_b 6.82317862 _cell_length_c 6.82317862 _cell_angle_alpha 89.94369084 _cell_angle_beta 89.94369084 _cell_angle_gamma 89.94369084 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti12Ga5Ir3O4 _chemical_formula_sum 'Ti12 Ga5 Ir3 O4' _cell_volume 317.65785124 _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 0.79808332 0.96243418 0.36859207 1.0 Ti Ti1 1 0.70365574 0.04838194 0.88256054 1.0 Ti Ti2 1 0.20554496 0.45654388 0.12178994 1.0 Ti Ti3 1 0.29264733 0.54097734 0.62391537 1.0 Ti Ti4 1 0.96243418 0.36859207 0.79808332 1.0 Ti Ti5 1 0.04838194 0.88256054 0.70365574 1.0 Ti Ti6 1 0.45654388 0.12178994 0.20554496 1.0 Ti Ti7 1 0.54097734 0.62391537 0.29264733 1.0 Ti Ti8 1 0.36859207 0.79808332 0.96243418 1.0 Ti Ti9 1 0.88256054 0.70365574 0.04838194 1.0 Ti Ti10 1 0.12178994 0.20554496 0.45654388 1.0 Ti Ti11 1 0.62391537 0.29264733 0.54097734 1.0 Ga Ga12 1 0.68082243 0.68082243 0.68082243 1.0 Ga Ga13 1 0.56672192 0.43122087 0.93165379 1.0 Ga Ga14 1 0.43122087 0.93165379 0.56672192 1.0 Ga Ga15 1 0.93165379 0.56672192 0.43122087 1.0 Ga Ga16 1 0.06984378 0.06984378 0.06984378 1.0 Ir Ir17 1 0.17699725 0.82141613 0.32360745 1.0 Ir Ir18 1 0.32360745 0.17699725 0.82141613 1.0 Ir Ir19 1 0.82141613 0.32360745 0.17699725 1.0 O O20 1 0.87017453 0.12407747 0.62768654 1.0 O O21 1 0.62768654 0.87017453 0.12407747 1.0 O O22 1 0.12407747 0.62768654 0.87017453 1.0 O O23 1 0.37065323 0.37065323 0.37065323 1.0