# generated using pymatgen data_Sc8Tc3B24Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50533659 _cell_length_b 8.88127017 _cell_length_c 11.19220383 _cell_angle_alpha 90.10536626 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Tc3B24Ir _chemical_formula_sum 'Sc8 Tc3 B24 Ir1' _cell_volume 348.43332462 _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 Sc Sc0 1 0.50000000 0.31372028 0.41640265 1.0 Sc Sc1 1 0.50000000 0.68090950 0.59246220 1.0 Sc Sc2 1 0.50000000 0.17860937 0.91252935 1.0 Sc Sc3 1 0.50000000 0.82643501 0.07929306 1.0 Sc Sc4 1 0.50000000 0.44042612 0.12708226 1.0 Sc Sc5 1 0.50000000 0.55669524 0.87133742 1.0 Sc Sc6 1 0.50000000 0.05609077 0.62888015 1.0 Sc Sc7 1 0.50000000 0.94555667 0.37128730 1.0 Tc Tc8 1 0.50000000 0.13854050 0.18079050 1.0 Tc Tc9 1 0.50000000 0.86137703 0.82024486 1.0 Tc Tc10 1 0.50000000 0.36207342 0.67828774 1.0 B B11 1 0.00000000 0.09897930 0.47258302 1.0 B B12 1 0.00000000 0.89869263 0.52754182 1.0 B B13 1 0.00000000 0.40032431 0.97253772 1.0 B B14 1 0.00000000 0.60046172 0.02794272 1.0 B B15 1 0.00000000 0.12987827 0.31775134 1.0 B B16 1 0.00000000 0.87015134 0.68295352 1.0 B B17 1 0.00000000 0.37082359 0.81686485 1.0 B B18 1 0.00000000 0.63018535 0.18178930 1.0 B B19 1 0.00000000 0.05306149 0.06510049 1.0 B B20 1 0.00000000 0.94752155 0.93430763 1.0 B B21 1 0.00000000 0.44691781 0.56485684 1.0 B B22 1 0.00000000 0.55344519 0.43554960 1.0 B B23 1 0.00000000 0.47957089 0.28766316 1.0 B B24 1 0.00000000 0.52114990 0.71230575 1.0 B B25 1 0.00000000 0.02103800 0.78724586 1.0 B B26 1 0.00000000 0.97913495 0.21226110 1.0 B B27 1 0.00000000 0.25198557 0.07905037 1.0 B B28 1 0.00000000 0.74830156 0.92086461 1.0 B B29 1 0.00000000 0.24729193 0.57935129 1.0 B B30 1 0.00000000 0.75199338 0.42191141 1.0 B B31 1 0.00000000 0.29427150 0.23670486 1.0 B B32 1 0.00000000 0.70592505 0.76432885 1.0 B B33 1 0.00000000 0.20612893 0.73580902 1.0 B B34 1 0.00000000 0.79377048 0.26369713 1.0 Ir Ir35 1 0.50000000 0.63856242 0.32043226 1.0