# generated using pymatgen data_Li5Zr6TiIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46182494 _cell_length_b 6.25027972 _cell_length_c 13.36645457 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99995084 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Zr6TiIr12 _chemical_formula_sum 'Li5 Zr6 Ti1 Ir12' _cell_volume 372.75905907 _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 Li Li0 1 0.49997515 0.00000000 0.16684342 1.0 Li Li1 1 0.99992138 0.50000000 0.33500363 1.0 Li Li2 1 0.50000100 0.00000000 0.50000000 1.0 Li Li3 1 0.00008062 0.50000000 0.66499637 1.0 Li Li4 1 0.50002385 0.00000000 0.83315658 1.0 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr6 1 0.49996165 0.50000000 0.17550035 1.0 Zr Zr7 1 0.99995465 0.00000000 0.33501583 1.0 Zr Zr8 1 0.50000100 0.50000000 0.50000000 1.0 Zr Zr9 1 0.00004435 0.00000000 0.66498417 1.0 Zr Zr10 1 0.50004035 0.50000000 0.82449965 1.0 Ti Ti11 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir12 1 0.50000100 0.25958062 0.00000000 1.0 Ir Ir13 1 0.50000100 0.74041738 0.00000000 1.0 Ir Ir14 1 0.99996747 0.25194590 0.16385224 1.0 Ir Ir15 1 0.99996747 0.74805410 0.16385224 1.0 Ir Ir16 1 0.49995209 0.24635006 0.33517794 1.0 Ir Ir17 1 0.49995209 0.75364894 0.33517794 1.0 Ir Ir18 1 0.00000000 0.24978102 0.50000000 1.0 Ir Ir19 1 0.00000000 0.75021998 0.50000000 1.0 Ir Ir20 1 0.50004791 0.24635006 0.66482206 1.0 Ir Ir21 1 0.50004791 0.75364894 0.66482206 1.0 Ir Ir22 1 0.00003453 0.25194590 0.83614776 1.0 Ir Ir23 1 0.00003453 0.74805410 0.83614776 1.0