# generated using pymatgen data_Y5ZrTi16Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.10686813 _cell_length_b 9.11559883 _cell_length_c 9.11559818 _cell_angle_alpha 59.93664601 _cell_angle_beta 60.03167939 _cell_angle_gamma 60.03168093 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y5ZrTi16Ir7 _chemical_formula_sum 'Y5 Zr1 Ti16 Ir7' _cell_volume 535.08607776 _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 Y Y0 1 0.69464004 0.69771946 0.30535996 1.0 Y Y1 1 0.30228054 0.69771946 0.30535996 1.0 Y Y2 1 0.69785906 0.30214094 0.30214094 1.0 Y Y3 1 0.30228054 0.30535996 0.69771946 1.0 Y Y4 1 0.69464004 0.30535996 0.69771946 1.0 Zr Zr5 1 0.29966752 0.70033248 0.70033248 1.0 Ti Ti6 1 0.88125334 0.88097587 0.35651844 1.0 Ti Ti7 1 0.88125334 0.35651844 0.88097587 1.0 Ti Ti8 1 0.35534868 0.87943378 0.87943378 1.0 Ti Ti9 1 0.88578576 0.87943378 0.87943378 1.0 Ti Ti10 1 0.12056622 0.11421424 0.64465132 1.0 Ti Ti11 1 0.12056622 0.64465132 0.11421424 1.0 Ti Ti12 1 0.64348156 0.11874666 0.11874666 1.0 Ti Ti13 1 0.11902413 0.11874666 0.11874666 1.0 Ti Ti14 1 0.67411842 0.67367518 0.97808599 1.0 Ti Ti15 1 0.67411842 0.97808599 0.67367518 1.0 Ti Ti16 1 0.98076792 0.67397997 0.67397997 1.0 Ti Ti17 1 0.67127014 0.67397997 0.67397997 1.0 Ti Ti18 1 0.32602003 0.32872986 0.01923208 1.0 Ti Ti19 1 0.32602003 0.01923208 0.32872986 1.0 Ti Ti20 1 0.02191401 0.32588158 0.32588158 1.0 Ti Ti21 1 0.32632482 0.32588158 0.32588158 1.0 Ir Ir22 1 0.99936153 0.00063847 0.00063847 1.0 Ir Ir23 1 0.00096464 0.99903536 0.50004031 1.0 Ir Ir24 1 0.49995969 0.99903536 0.50004031 1.0 Ir Ir25 1 0.99979450 0.50020550 0.50020550 1.0 Ir Ir26 1 0.49995969 0.50004031 0.99903536 1.0 Ir Ir27 1 0.00096464 0.50004031 0.99903536 1.0 Ir Ir28 1 0.49979450 0.00020550 0.00020550 1.0