# generated using pymatgen data_YbSc9(Si5Ir2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.39299150 _cell_length_b 12.39299150 _cell_length_c 4.09541289 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.98412994 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbSc9(Si5Ir2)4 _chemical_formula_sum 'Yb1 Sc9 Si20 Ir8' _cell_volume 628.99903540 _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 0.11510409 0.61510409 0.50000000 1.0 Sc Sc1 1 0.88308905 0.38308905 0.50000000 1.0 Sc Sc2 1 0.61581508 0.88436356 0.50000000 1.0 Sc Sc3 1 0.38436356 0.11581508 0.50000000 1.0 Sc Sc4 1 0.67327574 0.17327574 0.50000000 1.0 Sc Sc5 1 0.32839038 0.82839038 0.50000000 1.0 Sc Sc6 1 0.17430270 0.32629537 0.50000000 1.0 Sc Sc7 1 0.82629537 0.67430270 0.50000000 1.0 Sc Sc8 1 0.00002036 0.00033143 0.00000000 1.0 Sc Sc9 1 0.50033143 0.50002036 0.00000000 1.0 Si Si10 1 0.56608948 0.06608948 0.00000000 1.0 Si Si11 1 0.43430499 0.93430499 0.00000000 1.0 Si Si12 1 0.06584521 0.43260783 0.00000000 1.0 Si Si13 1 0.93260783 0.56584521 0.00000000 1.0 Si Si14 1 0.20038259 0.16524707 0.00000000 1.0 Si Si15 1 0.79715674 0.83447736 0.00000000 1.0 Si Si16 1 0.16616226 0.80019831 0.00000000 1.0 Si Si17 1 0.70051197 0.33393176 0.00000000 1.0 Si Si18 1 0.83393176 0.20051197 0.00000000 1.0 Si Si19 1 0.30019831 0.66616226 0.00000000 1.0 Si Si20 1 0.66524707 0.70038259 0.00000000 1.0 Si Si21 1 0.33447736 0.29715674 0.00000000 1.0 Si Si22 1 0.00599202 0.15132986 0.50000000 1.0 Si Si23 1 0.99362881 0.84964740 0.50000000 1.0 Si Si24 1 0.15206278 0.99283257 0.50000000 1.0 Si Si25 1 0.50814191 0.34840124 0.50000000 1.0 Si Si26 1 0.84840124 0.00814191 0.50000000 1.0 Si Si27 1 0.49283257 0.65206278 0.50000000 1.0 Si Si28 1 0.65132986 0.50599202 0.50000000 1.0 Si Si29 1 0.34964740 0.49362881 0.50000000 1.0 Ir Ir30 1 0.01909529 0.24524439 0.00000000 1.0 Ir Ir31 1 0.97808277 0.75666733 0.00000000 1.0 Ir Ir32 1 0.24646849 0.98103236 0.00000000 1.0 Ir Ir33 1 0.51970316 0.25376729 0.00000000 1.0 Ir Ir34 1 0.75376729 0.01970316 0.00000000 1.0 Ir Ir35 1 0.48103236 0.74646849 0.00000000 1.0 Ir Ir36 1 0.74524439 0.51909529 0.00000000 1.0 Ir Ir37 1 0.25666733 0.47808277 0.00000000 1.0