# generated using pymatgen data_TaTi2(GaRu2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30843041 _cell_length_b 6.11782969 _cell_length_c 12.90944302 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99953840 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi2(GaRu2)3 _chemical_formula_sum 'Ta2 Ti4 Ga6 Ru12' _cell_volume 340.27024249 _cell_formula_units_Z 2 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 Ta Ta0 1 0.00000858 0.50000000 0.99773102 1.0 Ta Ta1 1 0.49992637 0.00000000 0.16889170 1.0 Ti Ti2 1 0.99992581 0.50000000 0.33654029 1.0 Ti Ti3 1 0.49999675 0.00000000 0.50116710 1.0 Ti Ti4 1 0.00008060 0.50000000 0.66550480 1.0 Ti Ti5 1 0.50009775 0.00000000 0.83013473 1.0 Ga Ga6 1 0.99999839 0.00000000 0.99781815 1.0 Ga Ga7 1 0.49990725 0.50000000 0.16885528 1.0 Ga Ga8 1 0.99988430 0.00000000 0.33661563 1.0 Ga Ga9 1 0.49999773 0.50000000 0.50139892 1.0 Ga Ga10 1 0.00008029 0.00000000 0.66530286 1.0 Ga Ga11 1 0.50009320 0.50000000 0.83004359 1.0 Ru Ru12 1 0.50000017 0.24909885 0.99909442 1.0 Ru Ru13 1 0.50000017 0.75090115 0.99909442 1.0 Ru Ru14 1 0.99991084 0.25090244 0.16755830 1.0 Ru Ru15 1 0.99991084 0.74909756 0.16755830 1.0 Ru Ru16 1 0.49992532 0.25125088 0.33509005 1.0 Ru Ru17 1 0.49992532 0.74874912 0.33509005 1.0 Ru Ru18 1 0.00000033 0.25044735 0.50061989 1.0 Ru Ru19 1 0.00000033 0.74955265 0.50061989 1.0 Ru Ru20 1 0.50008354 0.24952700 0.66605235 1.0 Ru Ru21 1 0.50008354 0.75047300 0.66605235 1.0 Ru Ru22 1 0.00008280 0.24875912 0.83158245 1.0 Ru Ru23 1 0.00008280 0.75124088 0.83158245 1.0