# generated using pymatgen data_Yb2Sc3Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.68003505 _cell_length_b 12.68003501 _cell_length_c 3.93741748 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000265 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb2Sc3Si12Ir19 _chemical_formula_sum 'Yb2 Sc3 Si12 Ir19' _cell_volume 548.25549328 _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 0.33333300 0.66666700 0.00000000 1.0 Yb Yb1 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc2 1 0.81857886 0.00000000 0.50000000 1.0 Sc Sc3 1 0.00000000 0.81857886 0.50000000 1.0 Sc Sc4 1 0.18142114 0.18142114 0.50000000 1.0 Si Si5 1 0.17905200 0.00000000 0.00000000 1.0 Si Si6 1 0.00000000 0.17905200 0.00000000 1.0 Si Si7 1 0.82094800 0.82094800 0.00000000 1.0 Si Si8 1 0.16673367 0.47981186 0.50000000 1.0 Si Si9 1 0.52018814 0.68691981 0.50000000 1.0 Si Si10 1 0.31308019 0.83326633 0.50000000 1.0 Si Si11 1 0.68691981 0.52018814 0.50000000 1.0 Si Si12 1 0.83326633 0.31308019 0.50000000 1.0 Si Si13 1 0.47981186 0.16673367 0.50000000 1.0 Si Si14 1 0.63236050 1.00000000 0.00000000 1.0 Si Si15 1 1.00000000 0.63236050 0.00000000 1.0 Si Si16 1 0.36763950 0.36763950 0.00000000 1.0 Ir Ir17 1 0.44629882 0.00000000 0.00000000 1.0 Ir Ir18 1 0.00000000 0.44629882 0.00000000 1.0 Ir Ir19 1 0.55370118 0.55370118 0.00000000 1.0 Ir Ir20 1 0.35977316 0.48627935 0.50000000 1.0 Ir Ir21 1 0.51372065 0.87349380 0.50000000 1.0 Ir Ir22 1 0.12650620 0.64022684 0.50000000 1.0 Ir Ir23 1 0.87349380 0.51372065 0.50000000 1.0 Ir Ir24 1 0.64022684 0.12650620 0.50000000 1.0 Ir Ir25 1 0.48627935 0.35977316 0.50000000 1.0 Ir Ir26 1 0.18265133 0.37362503 0.00000000 1.0 Ir Ir27 1 0.62637497 0.80902630 0.00000000 1.0 Ir Ir28 1 0.19097370 0.81734867 0.00000000 1.0 Ir Ir29 1 0.80902630 0.62637497 0.00000000 1.0 Ir Ir30 1 0.81734867 0.19097370 0.00000000 1.0 Ir Ir31 1 0.37362503 0.18265133 0.00000000 1.0 Ir Ir32 1 0.27925208 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.27925208 0.50000000 1.0 Ir Ir34 1 0.72074792 0.72074792 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0