# generated using pymatgen data_Sc2MnB2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42529400 _cell_length_b 9.42529400 _cell_length_c 3.06262400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2MnB2Ir5 _chemical_formula_sum 'Sc4 Mn2 B4 Ir10' _cell_volume 272.07177708 _cell_formula_units_Z 2 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 0.67561900 0.17561900 0.00000000 1.0 Sc Sc1 1 0.32438100 0.82438100 0.00000000 1.0 Sc Sc2 1 0.17561900 0.32438100 0.00000000 1.0 Sc Sc3 1 0.82438100 0.67561900 0.00000000 1.0 Mn Mn4 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn5 1 0.50000000 0.50000000 0.00000000 1.0 B B6 1 0.12528300 0.62528300 0.00000000 1.0 B B7 1 0.87471700 0.37471700 0.00000000 1.0 B B8 1 0.62528300 0.87471700 0.00000000 1.0 B B9 1 0.37471700 0.12528300 0.00000000 1.0 Ir Ir10 1 0.21637000 0.07076300 0.50000000 1.0 Ir Ir11 1 0.78363000 0.92923700 0.50000000 1.0 Ir Ir12 1 0.07076300 0.78363000 0.50000000 1.0 Ir Ir13 1 0.71637000 0.42923700 0.50000000 1.0 Ir Ir14 1 0.92923700 0.21637000 0.50000000 1.0 Ir Ir15 1 0.28363000 0.57076300 0.50000000 1.0 Ir Ir16 1 0.57076300 0.71637000 0.50000000 1.0 Ir Ir17 1 0.42923700 0.28363000 0.50000000 1.0 Ir Ir18 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir19 1 0.00000000 0.50000000 0.50000000 1.0