# generated using pymatgen data_Lu5Sc5(Si5Ir2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.48801631 _cell_length_b 12.48801631 _cell_length_c 4.16621900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00661827 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5Sc5(Si5Ir2)4 _chemical_formula_sum 'Lu5 Sc5 Si20 Ir8' _cell_volume 649.72414556 _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 0.17399200 0.82600800 0.50000000 1.0 Lu Lu1 1 0.82544400 0.17455600 0.50000000 1.0 Lu Lu2 1 0.32524800 0.32473200 0.50000000 1.0 Lu Lu3 1 0.67526800 0.67475200 0.50000000 1.0 Lu Lu4 1 0.38433000 0.61567000 0.50000000 1.0 Sc Sc5 1 0.61618000 0.38382000 0.50000000 1.0 Sc Sc6 1 0.11634400 0.11640400 0.50000000 1.0 Sc Sc7 1 0.88359600 0.88365600 0.50000000 1.0 Sc Sc8 1 0.50000200 0.00007600 0.00000000 1.0 Sc Sc9 1 0.99992400 0.49999800 0.00000000 1.0 Si Si10 1 0.06515400 0.93484600 0.00000000 1.0 Si Si11 1 0.93468100 0.06531900 0.00000000 1.0 Si Si12 1 0.43501600 0.43368800 0.00000000 1.0 Si Si13 1 0.56631200 0.56498400 0.00000000 1.0 Si Si14 1 0.70195500 0.83596400 0.00000000 1.0 Si Si15 1 0.29835600 0.16407300 0.00000000 1.0 Si Si16 1 0.79847000 0.33570600 0.00000000 1.0 Si Si17 1 0.20060600 0.66477300 0.00000000 1.0 Si Si18 1 0.66429400 0.20153000 0.00000000 1.0 Si Si19 1 0.33522700 0.79939400 0.00000000 1.0 Si Si20 1 0.16403600 0.29804500 0.00000000 1.0 Si Si21 1 0.83592700 0.70164400 0.00000000 1.0 Si Si22 1 0.50347900 0.84889500 0.50000000 1.0 Si Si23 1 0.49716300 0.15175300 0.50000000 1.0 Si Si24 1 0.99720000 0.34794000 0.50000000 1.0 Si Si25 1 0.00277800 0.65204100 0.50000000 1.0 Si Si26 1 0.65206000 0.00280000 0.50000000 1.0 Si Si27 1 0.34795900 0.99722200 0.50000000 1.0 Si Si28 1 0.15110500 0.49652100 0.50000000 1.0 Si Si29 1 0.84824700 0.50283700 0.50000000 1.0 Ir Ir30 1 0.52007800 0.75513400 0.00000000 1.0 Ir Ir31 1 0.48015500 0.24489300 0.00000000 1.0 Ir Ir32 1 0.97991900 0.25445600 0.00000000 1.0 Ir Ir33 1 0.01971600 0.74565200 0.00000000 1.0 Ir Ir34 1 0.74554400 0.02008100 0.00000000 1.0 Ir Ir35 1 0.25434800 0.98028400 0.00000000 1.0 Ir Ir36 1 0.24486600 0.47992200 0.00000000 1.0 Ir Ir37 1 0.75510700 0.51984500 0.00000000 1.0