# generated using pymatgen data_Lu2Sc3Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.67853132 _cell_length_b 12.67853161 _cell_length_c 3.92353366 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000435 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2Sc3Si12Ir19 _chemical_formula_sum 'Lu2 Sc3 Si12 Ir19' _cell_volume 546.19271155 _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 Lu Lu0 1 0.33333300 0.66666700 0.00000000 1.0 Lu Lu1 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc2 1 0.81658070 0.00000000 0.50000000 1.0 Sc Sc3 1 0.00000000 0.81658070 0.50000000 1.0 Sc Sc4 1 0.18341930 0.18341930 0.50000000 1.0 Si Si5 1 0.17869627 0.00000000 0.00000000 1.0 Si Si6 1 0.00000000 0.17869627 0.00000000 1.0 Si Si7 1 0.82130373 0.82130373 0.00000000 1.0 Si Si8 1 0.16821477 0.48027528 0.50000000 1.0 Si Si9 1 0.51972472 0.68793949 0.50000000 1.0 Si Si10 1 0.31206051 0.83178523 0.50000000 1.0 Si Si11 1 0.68793949 0.51972472 0.50000000 1.0 Si Si12 1 0.83178523 0.31206051 0.50000000 1.0 Si Si13 1 0.48027528 0.16821477 0.50000000 1.0 Si Si14 1 0.63384198 1.00000000 0.00000000 1.0 Si Si15 1 1.00000000 0.63384198 0.00000000 1.0 Si Si16 1 0.36615802 0.36615802 0.00000000 1.0 Ir Ir17 1 0.44711809 0.00000000 0.00000000 1.0 Ir Ir18 1 0.00000000 0.44711809 0.00000000 1.0 Ir Ir19 1 0.55288191 0.55288191 0.00000000 1.0 Ir Ir20 1 0.36113967 0.48851874 0.50000000 1.0 Ir Ir21 1 0.51148126 0.87261992 0.50000000 1.0 Ir Ir22 1 0.12738008 0.63886033 0.50000000 1.0 Ir Ir23 1 0.87261992 0.51148126 0.50000000 1.0 Ir Ir24 1 0.63886033 0.12738008 0.50000000 1.0 Ir Ir25 1 0.48851874 0.36113967 0.50000000 1.0 Ir Ir26 1 0.18255232 0.37457169 0.00000000 1.0 Ir Ir27 1 0.62542831 0.80798163 0.00000000 1.0 Ir Ir28 1 0.19201837 0.81744768 0.00000000 1.0 Ir Ir29 1 0.80798163 0.62542831 0.00000000 1.0 Ir Ir30 1 0.81744768 0.19201837 0.00000000 1.0 Ir Ir31 1 0.37457169 0.18255232 0.00000000 1.0 Ir Ir32 1 0.28008504 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.28008504 0.50000000 1.0 Ir Ir34 1 0.71991496 0.71991496 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0