# generated using pymatgen data_Li5Hf6ScIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44371053 _cell_length_b 6.22664532 _cell_length_c 13.29473600 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99957841 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Hf6ScIr12 _chemical_formula_sum 'Li5 Hf6 Sc1 Ir12' _cell_volume 367.85749299 _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 0.49989972 0.00000000 0.16760041 1.0 Li Li1 1 0.99993544 0.50000100 0.33471721 1.0 Li Li2 1 0.50000000 0.00000000 0.50000000 1.0 Li Li3 1 0.00006456 0.50000100 0.66528279 1.0 Li Li4 1 0.50009928 0.00000000 0.83239959 1.0 Hf Hf5 1 0.00000000 0.00000000 0.00000000 1.0 Hf Hf6 1 0.49992712 0.50000100 0.17447986 1.0 Hf Hf7 1 0.99990695 0.00000000 0.33685132 1.0 Hf Hf8 1 0.50000000 0.50000100 0.50000000 1.0 Hf Hf9 1 0.00009305 0.00000000 0.66314768 1.0 Hf Hf10 1 0.50007188 0.50000100 0.82552014 1.0 Sc Sc11 1 0.00000000 0.50000100 0.00000000 1.0 Ir Ir12 1 0.50000000 0.24866674 0.00000000 1.0 Ir Ir13 1 0.50000000 0.75133326 0.00000000 1.0 Ir Ir14 1 0.99991121 0.24751000 0.16842269 1.0 Ir Ir15 1 0.99991121 0.75249000 0.16842269 1.0 Ir Ir16 1 0.49991073 0.24743801 0.33518407 1.0 Ir Ir17 1 0.49991073 0.75256199 0.33518407 1.0 Ir Ir18 1 0.00000000 0.25161680 0.50000000 1.0 Ir Ir19 1 0.00000000 0.74838320 0.50000000 1.0 Ir Ir20 1 0.50008827 0.24743801 0.66481593 1.0 Ir Ir21 1 0.50008827 0.75256199 0.66481593 1.0 Ir Ir22 1 0.00008879 0.24751000 0.83157731 1.0 Ir Ir23 1 0.00008879 0.75249000 0.83157731 1.0