# generated using pymatgen data_Li2Sc6IrOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59555134 _cell_length_b 6.43901934 _cell_length_c 13.82214519 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99723228 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Sc6IrOs3 _chemical_formula_sum 'Li4 Sc12 Ir2 Os6' _cell_volume 409.00894050 _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 0.99988341 0.50000000 0.32874987 1.0 Li Li1 1 0.49996814 0.00000000 0.49679842 1.0 Li Li2 1 0.00040876 0.50000000 0.66989364 1.0 Li Li3 1 0.50009392 0.00000000 0.83789954 1.0 Sc Sc4 1 0.49997524 0.25296268 0.00296459 1.0 Sc Sc5 1 0.49997524 0.74703932 0.00296459 1.0 Sc Sc6 1 0.99986496 0.24704746 0.16364791 1.0 Sc Sc7 1 0.99986496 0.75295254 0.16364791 1.0 Sc Sc8 1 0.49985883 0.24560030 0.32963013 1.0 Sc Sc9 1 0.49985883 0.75439970 0.32963013 1.0 Sc Sc10 1 0.99998570 0.24902257 0.49939248 1.0 Sc Sc11 1 0.99998570 0.75097643 0.49939248 1.0 Sc Sc12 1 0.50015969 0.25098686 0.66733983 1.0 Sc Sc13 1 0.50015969 0.74901314 0.66733983 1.0 Sc Sc14 1 0.00009973 0.25439227 0.83702627 1.0 Sc Sc15 1 0.00009973 0.74560773 0.83702627 1.0 Ir Ir16 1 0.99997343 0.50000000 0.00036232 1.0 Ir Ir17 1 0.49986259 0.00000000 0.16625508 1.0 Os Os18 1 0.99997886 0.00000000 0.99744712 1.0 Os Os19 1 0.49986219 0.50000000 0.16916673 1.0 Os Os20 1 0.99985971 0.00000000 0.33593440 1.0 Os Os21 1 0.49999314 0.50000000 0.50152048 1.0 Os Os22 1 0.00013953 0.00000000 0.66523473 1.0 Os Os23 1 0.50009104 0.50000000 0.83074024 1.0