# generated using pymatgen data_Li3Ta3Ir5Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33610031 _cell_length_b 6.08386549 _cell_length_c 13.00393990 _cell_angle_alpha 89.99988778 _cell_angle_beta 89.99933948 _cell_angle_gamma 90.00010685 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ta3Ir5Ru _chemical_formula_sum 'Li6 Ta6 Ir10 Ru2' _cell_volume 343.04719877 _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 Li Li0 1 0.00000788 0.50000076 0.99971683 1.0 Li Li1 1 0.49985760 0.99999915 0.16623514 1.0 Li Li2 1 0.99989054 0.49999966 0.33334500 1.0 Li Li3 1 0.49999187 0.99999971 0.50048829 1.0 Li Li4 1 0.00011718 0.49998988 0.66692139 1.0 Li Li5 1 0.50011838 0.00001592 0.83336132 1.0 Ta Ta6 1 0.00002033 0.99999977 0.99552737 1.0 Ta Ta7 1 0.49984766 0.49999905 0.16613378 1.0 Ta Ta8 1 0.99985143 0.99999979 0.33337653 1.0 Ta Ta9 1 0.49999626 0.49999944 0.50048178 1.0 Ta Ta10 1 0.00015856 0.00000124 0.67113649 1.0 Ta Ta11 1 0.50014568 0.49999388 0.83335375 1.0 Ir Ir12 1 0.50001506 0.25003577 0.00011154 1.0 Ir Ir13 1 0.50001435 0.74996434 0.00011043 1.0 Ir Ir14 1 0.99985470 0.24927358 0.16650734 1.0 Ir Ir15 1 0.99985392 0.75072587 0.16650756 1.0 Ir Ir16 1 0.49985126 0.24963811 0.33332607 1.0 Ir Ir17 1 0.49985306 0.75036191 0.33332587 1.0 Ir Ir18 1 0.99999656 0.24928173 0.50015876 1.0 Ir Ir19 1 0.99999584 0.75071595 0.50015962 1.0 Ir Ir20 1 0.50014238 0.25005468 0.66654156 1.0 Ir Ir21 1 0.50014177 0.74994495 0.66654253 1.0 Ru Ru22 1 0.00013482 0.25145669 0.83331471 1.0 Ru Ru23 1 0.00014694 0.74854616 0.83331433 1.0