# generated using pymatgen data_Y3Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.95423560 _cell_length_b 14.95423560 _cell_length_c 14.95423560 _cell_angle_alpha 135.59233721 _cell_angle_beta 135.59233721 _cell_angle_gamma 64.61122187 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Ir2 _chemical_formula_sum 'Y42 Ir28' _cell_volume 1614.64482566 _cell_formula_units_Z 14 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 Y Y0 1 0.63219100 0.50357900 0.27931000 1.0 Y Y1 1 0.22427000 0.35288200 0.72069000 1.0 Y Y2 1 0.13219100 0.85288200 0.12861200 1.0 Y Y3 1 0.72427000 0.00357900 0.87138800 1.0 Y Y4 1 0.35288200 0.63219100 0.12861200 1.0 Y Y5 1 0.50357900 0.22427000 0.87138800 1.0 Y Y6 1 0.00357900 0.13219100 0.27931000 1.0 Y Y7 1 0.85288200 0.72427000 0.72069000 1.0 Y Y8 1 0.36780900 0.49642100 0.72069000 1.0 Y Y9 1 0.77573000 0.64711800 0.27931000 1.0 Y Y10 1 0.86780900 0.14711800 0.87138800 1.0 Y Y11 1 0.27573000 0.99642100 0.12861200 1.0 Y Y12 1 0.64711800 0.36780900 0.87138800 1.0 Y Y13 1 0.49642100 0.77573000 0.12861200 1.0 Y Y14 1 0.99642100 0.86780900 0.72069000 1.0 Y Y15 1 0.14711800 0.27573000 0.27931000 1.0 Y Y16 1 0.38574500 0.51705700 0.29063900 1.0 Y Y17 1 0.22641800 0.09510500 0.70936100 1.0 Y Y18 1 0.88574500 0.59510500 0.86868800 1.0 Y Y19 1 0.72641800 0.01705700 0.13131200 1.0 Y Y20 1 0.09510500 0.38574500 0.86868800 1.0 Y Y21 1 0.51705700 0.22641800 0.13131200 1.0 Y Y22 1 0.01705700 0.88574500 0.29063900 1.0 Y Y23 1 0.59510500 0.72641800 0.70936100 1.0 Y Y24 1 0.61425500 0.48294300 0.70936100 1.0 Y Y25 1 0.77358200 0.90489500 0.29063900 1.0 Y Y26 1 0.11425500 0.40489500 0.13131200 1.0 Y Y27 1 0.27358200 0.98294300 0.86868800 1.0 Y Y28 1 0.90489500 0.61425500 0.13131200 1.0 Y Y29 1 0.48294300 0.77358200 0.86868800 1.0 Y Y30 1 0.98294300 0.11425500 0.70936100 1.0 Y Y31 1 0.40489500 0.27358200 0.29063900 1.0 Y Y32 1 0.85074100 0.35074100 0.20148100 1.0 Y Y33 1 0.14925900 0.64925900 0.79851900 1.0 Y Y34 1 0.35074100 0.14925900 0.50000000 1.0 Y Y35 1 0.64925900 0.85074100 0.50000000 1.0 Y Y36 1 0.38747300 0.88747300 0.50000000 1.0 Y Y37 1 0.88747300 0.38747300 0.50000000 1.0 Y Y38 1 0.61252700 0.11252700 0.50000000 1.0 Y Y39 1 0.11252700 0.61252700 0.50000000 1.0 Y Y40 1 0.25000000 0.75000000 0.50000000 1.0 Y Y41 1 0.75000000 0.25000000 0.50000000 1.0 Ir Ir42 1 0.71434200 0.21434200 0.14117900 1.0 Ir Ir43 1 0.07316200 0.57316200 0.85882100 1.0 Ir Ir44 1 0.21434200 0.07316200 0.50000000 1.0 Ir Ir45 1 0.57316200 0.71434200 0.50000000 1.0 Ir Ir46 1 0.28565800 0.78565800 0.85882100 1.0 Ir Ir47 1 0.92683800 0.42683800 0.14117900 1.0 Ir Ir48 1 0.78565800 0.92683800 0.50000000 1.0 Ir Ir49 1 0.42683800 0.28565800 0.50000000 1.0 Ir Ir50 1 0.46536200 0.96536200 0.80809800 1.0 Ir Ir51 1 0.15726400 0.65726400 0.19190200 1.0 Ir Ir52 1 0.96536200 0.15726400 0.50000000 1.0 Ir Ir53 1 0.65726400 0.46536200 0.50000000 1.0 Ir Ir54 1 0.53463800 0.03463800 0.19190200 1.0 Ir Ir55 1 0.84273600 0.34273600 0.80809800 1.0 Ir Ir56 1 0.03463800 0.84273600 0.50000000 1.0 Ir Ir57 1 0.34273600 0.53463800 0.50000000 1.0 Ir Ir58 1 0.59654100 0.09654100 0.69308300 1.0 Ir Ir59 1 0.40345900 0.90345900 0.30691700 1.0 Ir Ir60 1 0.09654100 0.40345900 0.50000000 1.0 Ir Ir61 1 0.90345900 0.59654100 0.50000000 1.0 Ir Ir62 1 0.36562900 0.36562900 0.00000000 1.0 Ir Ir63 1 0.86562900 0.86562900 0.00000000 1.0 Ir Ir64 1 0.63437100 0.63437100 0.00000000 1.0 Ir Ir65 1 0.13437100 0.13437100 0.00000000 1.0 Ir Ir66 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir67 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir68 1 0.25000000 0.25000000 0.00000000 1.0 Ir Ir69 1 0.75000000 0.75000000 0.00000000 1.0