# generated using pymatgen data_Yb2Th3Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.84187228 _cell_length_b 12.84187317 _cell_length_c 4.00371169 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.22443656 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb2Th3Si12Ir19 _chemical_formula_sum 'Yb2 Th3 Si12 Ir19' _cell_volume 570.51033130 _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 Yb Yb0 1 0.81162105 0.99876877 0.50000000 1.0 Yb Yb1 1 0.99876877 0.81162105 0.50000000 1.0 Th Th2 1 0.33505555 0.66604755 0.00000000 1.0 Th Th3 1 0.66604755 0.33505555 0.00000000 1.0 Th Th4 1 0.18016546 0.18016546 0.50000000 1.0 Si Si5 1 0.82072987 0.82072987 0.00000000 1.0 Si Si6 1 0.17826140 0.99183395 0.00000000 1.0 Si Si7 1 0.99183395 0.17826140 0.00000000 1.0 Si Si8 1 0.31117886 0.83378034 0.50000000 1.0 Si Si9 1 0.16424479 0.47561033 0.50000000 1.0 Si Si10 1 0.52709033 0.69103880 0.50000000 1.0 Si Si11 1 0.83378034 0.31117886 0.50000000 1.0 Si Si12 1 0.47561033 0.16424479 0.50000000 1.0 Si Si13 1 0.69103880 0.52709033 0.50000000 1.0 Si Si14 1 0.37067981 0.37067981 0.00000000 1.0 Si Si15 1 0.63187044 0.00056466 0.00000000 1.0 Si Si16 1 0.00056466 0.63187044 0.00000000 1.0 Ir Ir17 1 0.19533035 0.81495195 0.00000000 1.0 Ir Ir18 1 0.18118306 0.37458905 0.00000000 1.0 Ir Ir19 1 0.62379747 0.80733316 0.00000000 1.0 Ir Ir20 1 0.81495195 0.19533035 0.00000000 1.0 Ir Ir21 1 0.37458905 0.18118306 0.00000000 1.0 Ir Ir22 1 0.80733316 0.62379747 0.00000000 1.0 Ir Ir23 1 0.72251881 0.72251881 0.50000000 1.0 Ir Ir24 1 0.28069872 0.99861345 0.50000000 1.0 Ir Ir25 1 0.99861345 0.28069872 0.50000000 1.0 Ir Ir26 1 0.12727420 0.63715052 0.50000000 1.0 Ir Ir27 1 0.36288890 0.48972968 0.50000000 1.0 Ir Ir28 1 0.51186031 0.87479061 0.50000000 1.0 Ir Ir29 1 0.63715052 0.12727420 0.50000000 1.0 Ir Ir30 1 0.48972968 0.36288890 0.50000000 1.0 Ir Ir31 1 0.87479061 0.51186031 0.50000000 1.0 Ir Ir32 1 0.55351008 0.55351008 0.00000000 1.0 Ir Ir33 1 0.44929397 0.00291484 0.00000000 1.0 Ir Ir34 1 0.00291484 0.44929397 0.00000000 1.0 Ir Ir35 1 0.00302889 0.00302889 0.00000000 1.0