# generated using pymatgen data_Nd3Lu2Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.78116361 _cell_length_b 12.80220514 _cell_length_c 3.98157702 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.94565307 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Lu2Si12Ir19 _chemical_formula_sum 'Nd3 Lu2 Si12 Ir19' _cell_volume 564.51892208 _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 Nd Nd0 1 0.81543137 0.00000000 0.50000000 1.0 Nd Nd1 1 0.33324903 0.66760872 0.00000000 1.0 Nd Nd2 1 0.66564131 0.33239128 0.00000000 1.0 Lu Lu3 1 0.00021740 0.81435725 0.50000000 1.0 Lu Lu4 1 0.18585915 0.18564275 0.50000000 1.0 Si Si5 1 0.00415813 0.18334537 0.00000000 1.0 Si Si6 1 0.82081276 0.81665463 0.00000000 1.0 Si Si7 1 0.17962137 0.00000000 0.00000000 1.0 Si Si8 1 0.52233557 0.68813161 0.50000000 1.0 Si Si9 1 0.31097772 0.83447594 0.50000000 1.0 Si Si10 1 0.16727476 0.47960985 0.50000000 1.0 Si Si11 1 0.47650179 0.16552406 0.50000000 1.0 Si Si12 1 0.68766491 0.52039015 0.50000000 1.0 Si Si13 1 0.83420496 0.31186839 0.50000000 1.0 Si Si14 1 0.00004155 0.63173662 0.00000000 1.0 Si Si15 1 0.36830493 0.36826338 0.00000000 1.0 Si Si16 1 0.62931564 1.00000000 0.00000000 1.0 Ir Ir17 1 0.00243990 0.28295624 0.50000000 1.0 Ir Ir18 1 0.71948365 0.71704376 0.50000000 1.0 Ir Ir19 1 0.27865826 0.00000000 0.50000000 1.0 Ir Ir20 1 0.62364344 0.80462475 0.00000000 1.0 Ir Ir21 1 0.19089133 0.81806882 0.00000000 1.0 Ir Ir22 1 0.18398649 0.37569934 0.00000000 1.0 Ir Ir23 1 0.37282251 0.18193118 0.00000000 1.0 Ir Ir24 1 0.80828716 0.62430066 0.00000000 1.0 Ir Ir25 1 0.81901869 0.19537525 0.00000000 1.0 Ir Ir26 1 0.51252192 0.87455825 0.50000000 1.0 Ir Ir27 1 0.12507575 0.63962729 0.50000000 1.0 Ir Ir28 1 0.36192296 0.48731015 0.50000000 1.0 Ir Ir29 1 0.48544946 0.36037271 0.50000000 1.0 Ir Ir30 1 0.87461481 0.51268985 0.50000000 1.0 Ir Ir31 1 0.63796467 0.12544175 0.50000000 1.0 Ir Ir32 1 0.00122303 0.00000000 0.00000000 1.0 Ir Ir33 1 0.00155466 0.44803539 0.00000000 1.0 Ir Ir34 1 0.55351827 0.55196461 0.00000000 1.0 Ir Ir35 1 0.44530970 0.00000000 0.00000000 1.0