# generated using pymatgen data_Li3HfSc5Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60667022 _cell_length_b 6.53368327 _cell_length_c 13.83676606 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00329645 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3HfSc5Ir3 _chemical_formula_sum 'Li6 Hf2 Sc10 Ir6' _cell_volume 416.46623648 _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 0.00000000 0.00000000 0.00000000 1.0 Li Li1 1 0.49973660 0.50000000 0.16757046 1.0 Li Li2 1 0.99853839 0.00000000 0.33395745 1.0 Li Li3 1 0.50000000 0.50000000 0.50000000 1.0 Li Li4 1 0.00146361 0.00000000 0.66604255 1.0 Li Li5 1 0.50026240 0.50000000 0.83242954 1.0 Hf Hf6 1 0.50000000 0.24979490 0.00000000 1.0 Hf Hf7 1 0.50000000 0.75020610 0.00000000 1.0 Sc Sc8 1 0.99976817 0.24994107 0.16785935 1.0 Sc Sc9 1 0.99976817 0.75005993 0.16785935 1.0 Sc Sc10 1 0.49958766 0.25032465 0.33397221 1.0 Sc Sc11 1 0.49958766 0.74967635 0.33397221 1.0 Sc Sc12 1 0.00000000 0.24992848 0.50000000 1.0 Sc Sc13 1 0.00000000 0.75007252 0.50000000 1.0 Sc Sc14 1 0.50041134 0.25032465 0.66602779 1.0 Sc Sc15 1 0.50041134 0.74967635 0.66602779 1.0 Sc Sc16 1 0.00023083 0.24994107 0.83214065 1.0 Sc Sc17 1 0.00023083 0.75005993 0.83214065 1.0 Ir Ir18 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir19 1 0.49979186 0.00000000 0.15845780 1.0 Ir Ir20 1 0.99961900 0.50000000 0.33324823 1.0 Ir Ir21 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir22 1 0.00038100 0.50000000 0.66675177 1.0 Ir Ir23 1 0.50021014 0.00000000 0.84154220 1.0