# generated using pymatgen data_Zr6Sc8Be8Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74612543 _cell_length_b 8.74612571 _cell_length_c 8.74612558 _cell_angle_alpha 60.00000049 _cell_angle_beta 59.99999942 _cell_angle_gamma 60.00000285 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Sc8Be8Ir7 _chemical_formula_sum 'Zr6 Sc8 Be8 Ir7' _cell_volume 473.07732998 _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 Zr Zr0 1 0.67801151 0.67801151 0.32198849 1.0 Zr Zr1 1 0.32198849 0.67801151 0.32198849 1.0 Zr Zr2 1 0.67801151 0.32198849 0.32198849 1.0 Zr Zr3 1 0.32198849 0.32198849 0.67801151 1.0 Zr Zr4 1 0.67801151 0.32198849 0.67801151 1.0 Zr Zr5 1 0.32198849 0.67801151 0.67801151 1.0 Sc Sc6 1 0.86941686 0.86941686 0.39174942 1.0 Sc Sc7 1 0.86941686 0.39174942 0.86941686 1.0 Sc Sc8 1 0.39174942 0.86941686 0.86941686 1.0 Sc Sc9 1 0.86941686 0.86941686 0.86941686 1.0 Sc Sc10 1 0.13058314 0.13058314 0.60825058 1.0 Sc Sc11 1 0.13058314 0.60825058 0.13058314 1.0 Sc Sc12 1 0.60825058 0.13058314 0.13058314 1.0 Sc Sc13 1 0.13058314 0.13058314 0.13058314 1.0 Be Be14 1 0.65290891 0.65290891 0.04127328 1.0 Be Be15 1 0.65290891 0.04127328 0.65290891 1.0 Be Be16 1 0.04127328 0.65290891 0.65290891 1.0 Be Be17 1 0.65290891 0.65290891 0.65290891 1.0 Be Be18 1 0.34709109 0.34709109 0.95872672 1.0 Be Be19 1 0.34709109 0.95872672 0.34709109 1.0 Be Be20 1 0.95872672 0.34709109 0.34709109 1.0 Be Be21 1 0.34709109 0.34709109 0.34709109 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir24 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir26 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.00000000 1.0