# generated using pymatgen data_Li(ThIr3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34048238 _cell_length_b 5.34048297 _cell_length_c 13.32865634 _cell_angle_alpha 78.44324676 _cell_angle_beta 78.44325521 _cell_angle_gamma 59.99999548 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li(ThIr3)2 _chemical_formula_sum 'Li2 Th4 Ir12' _cell_volume 320.28390000 _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 0.72035020 0.72035020 0.83894839 1.0 Li Li1 1 0.27964980 0.27964980 0.16105161 1.0 Th Th2 1 0.95136371 0.95136371 0.14590988 1.0 Th Th3 1 0.04863629 0.04863629 0.85409012 1.0 Th Th4 1 0.85413814 0.85413814 0.43758357 1.0 Th Th5 1 0.14586186 0.14586186 0.56241643 1.0 Ir Ir6 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir7 1 0.61127071 0.61127071 0.16618887 1.0 Ir Ir8 1 0.38872929 0.38872929 0.83381113 1.0 Ir Ir9 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir10 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir11 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir12 1 0.38639863 0.38639863 0.33044983 1.0 Ir Ir13 1 0.89675192 0.38639863 0.33044983 1.0 Ir Ir14 1 0.38639863 0.89675192 0.33044983 1.0 Ir Ir15 1 0.61360137 0.61360137 0.66955017 1.0 Ir Ir16 1 0.10324808 0.61360137 0.66955017 1.0 Ir Ir17 1 0.61360137 0.10324808 0.66955017 1.0