# generated using pymatgen data_TaTi(GaRu2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32289643 _cell_length_b 6.12230658 _cell_length_c 12.95422806 _cell_angle_alpha 90.00009442 _cell_angle_beta 89.99858351 _cell_angle_gamma 90.00028132 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi(GaRu2)2 _chemical_formula_sum 'Ta3 Ti3 Ga6 Ru12' _cell_volume 342.84785963 _cell_formula_units_Z 3 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 0.00009212 0.49999115 0.99650151 1.0 Ta Ta1 1 0.49991729 0.99999969 0.16663921 1.0 Ta Ta2 1 0.99987590 0.50000957 0.33680053 1.0 Ti Ti3 1 0.49990165 0.00000281 0.50340902 1.0 Ti Ti4 1 0.00012403 0.50000638 0.66665735 1.0 Ti Ti5 1 0.50009692 0.99998558 0.82995766 1.0 Ga Ga6 1 0.00010117 0.99999591 0.99669339 1.0 Ga Ga7 1 0.49992149 0.49999811 0.16667976 1.0 Ga Ga8 1 0.99988235 0.00000944 0.33667111 1.0 Ga Ga9 1 0.49989038 0.50000141 0.50319428 1.0 Ga Ga10 1 0.00012957 0.00000697 0.66666893 1.0 Ga Ga11 1 0.50008327 0.49999148 0.83014182 1.0 Ru Ru12 1 0.50007465 0.24929579 0.99897856 1.0 Ru Ru13 1 0.50007728 0.75068960 0.99897774 1.0 Ru Ru14 1 0.99991585 0.24995303 0.16665279 1.0 Ru Ru15 1 0.99991784 0.75004759 0.16665215 1.0 Ru Ru16 1 0.49987598 0.24926713 0.33436502 1.0 Ru Ru17 1 0.49988166 0.75074703 0.33436662 1.0 Ru Ru18 1 0.99990646 0.24889116 0.50142319 1.0 Ru Ru19 1 0.99991881 0.75112223 0.50142481 1.0 Ru Ru20 1 0.50014517 0.24965277 0.66667867 1.0 Ru Ru21 1 0.50009872 0.75035096 0.66667814 1.0 Ru Ru22 1 0.00008157 0.24886974 0.83189631 1.0 Ru Ru23 1 0.00009187 0.75111347 0.83189543 1.0