# generated using pymatgen data_Sc8Re3B24Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51799773 _cell_length_b 8.88656562 _cell_length_c 11.19598693 _cell_angle_alpha 90.11837062 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Re3B24Ir _chemical_formula_sum 'Sc8 Re3 B24 Ir1' _cell_volume 350.01847119 _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 0.31327504 0.41602378 1.0 Sc Sc1 1 0.50000000 0.68123078 0.59259131 1.0 Sc Sc2 1 0.50000000 0.17883484 0.91225304 1.0 Sc Sc3 1 0.50000000 0.82645272 0.07933152 1.0 Sc Sc4 1 0.50000000 0.44126349 0.12691703 1.0 Sc Sc5 1 0.50000000 0.55639181 0.87184310 1.0 Sc Sc6 1 0.50000000 0.05569942 0.62819336 1.0 Sc Sc7 1 0.50000000 0.94518463 0.37176360 1.0 Re Re8 1 0.50000000 0.13870324 0.18057926 1.0 Re Re9 1 0.50000000 0.86148364 0.82032395 1.0 Re Re10 1 0.50000000 0.36190327 0.67833457 1.0 B B11 1 0.00000000 0.09850708 0.47245163 1.0 B B12 1 0.00000000 0.89850696 0.52747047 1.0 B B13 1 0.00000000 0.40086011 0.97281140 1.0 B B14 1 0.00000000 0.60052570 0.02812132 1.0 B B15 1 0.00000000 0.12972175 0.31784891 1.0 B B16 1 0.00000000 0.87004676 0.68281929 1.0 B B17 1 0.00000000 0.37085097 0.81693579 1.0 B B18 1 0.00000000 0.63047609 0.18187356 1.0 B B19 1 0.00000000 0.05293518 0.06508591 1.0 B B20 1 0.00000000 0.94757180 0.93442930 1.0 B B21 1 0.00000000 0.44699098 0.56461739 1.0 B B22 1 0.00000000 0.55374799 0.43543664 1.0 B B23 1 0.00000000 0.47990072 0.28759365 1.0 B B24 1 0.00000000 0.52124221 0.71246191 1.0 B B25 1 0.00000000 0.02112174 0.78696381 1.0 B B26 1 0.00000000 0.97892173 0.21248536 1.0 B B27 1 0.00000000 0.25251206 0.07895623 1.0 B B28 1 0.00000000 0.74804784 0.92109635 1.0 B B29 1 0.00000000 0.24700385 0.57901449 1.0 B B30 1 0.00000000 0.75197282 0.42200582 1.0 B B31 1 0.00000000 0.29464159 0.23679922 1.0 B B32 1 0.00000000 0.70561808 0.76452568 1.0 B B33 1 0.00000000 0.20586037 0.73541572 1.0 B B34 1 0.00000000 0.79357953 0.26410171 1.0 Ir Ir35 1 0.50000000 0.63841321 0.32052189 1.0