# generated using pymatgen data_Ti12Ga5Cu3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78466892 _cell_length_b 6.78466883 _cell_length_c 6.78466902 _cell_angle_alpha 90.18337842 _cell_angle_beta 90.18337623 _cell_angle_gamma 90.18337789 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti12Ga5Cu3O4 _chemical_formula_sum 'Ti12 Ga5 Cu3 O4' _cell_volume 312.30525540 _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 0.79137910 0.95957868 0.37352453 1.0 Ti Ti1 1 0.70877099 0.04137046 0.87624701 1.0 Ti Ti2 1 0.21242722 0.45714058 0.12100549 1.0 Ti Ti3 1 0.29127168 0.54245769 0.62475061 1.0 Ti Ti4 1 0.95957868 0.37352453 0.79137910 1.0 Ti Ti5 1 0.04137046 0.87624701 0.70877099 1.0 Ti Ti6 1 0.45714058 0.12100549 0.21242722 1.0 Ti Ti7 1 0.54245769 0.62475061 0.29127168 1.0 Ti Ti8 1 0.37352453 0.79137910 0.95957868 1.0 Ti Ti9 1 0.87624701 0.70877099 0.04137046 1.0 Ti Ti10 1 0.12100549 0.21242722 0.45714058 1.0 Ti Ti11 1 0.62475061 0.29127168 0.54245769 1.0 Ga Ga12 1 0.67835545 0.67835545 0.67835545 1.0 Ga Ga13 1 0.57251672 0.41963418 0.93383680 1.0 Ga Ga14 1 0.41963418 0.93383680 0.57251672 1.0 Ga Ga15 1 0.93383680 0.57251672 0.41963418 1.0 Ga Ga16 1 0.07339299 0.07339299 0.07339299 1.0 Cu Cu17 1 0.17819288 0.82405224 0.32100876 1.0 Cu Cu18 1 0.32100876 0.17819288 0.82405224 1.0 Cu Cu19 1 0.82405224 0.32100876 0.17819288 1.0 O O20 1 0.87537633 0.12483849 0.62432071 1.0 O O21 1 0.62432071 0.87537633 0.12483849 1.0 O O22 1 0.12483849 0.62432071 0.87537633 1.0 O O23 1 0.37454741 0.37454741 0.37454741 1.0