# generated using pymatgen data_Sc2FeB2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.36535764 _cell_length_b 9.36535764 _cell_length_c 3.04429788 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2FeB2Ir5 _chemical_formula_sum 'Sc4 Fe2 B4 Ir10' _cell_volume 267.01513485 _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 0.17633837 0.67633837 0.00000000 1.0 Sc Sc1 1 0.82366163 0.32366163 -0.00000000 1.0 Sc Sc2 1 0.32366163 0.17633837 -0.00000000 1.0 Sc Sc3 1 0.67633837 0.82366163 0.00000000 1.0 Fe Fe4 1 0.00000000 -0.00000000 0.00000000 1.0 Fe Fe5 1 0.50000000 0.50000000 0.00000000 1.0 B B6 1 0.37534386 0.87534386 -0.00000000 1.0 B B7 1 0.87534386 0.62465614 0.00000000 1.0 B B8 1 0.12465614 0.37534386 -0.00000000 1.0 B B9 1 0.62465614 0.12465614 0.00000000 1.0 Ir Ir10 1 0.50000000 -0.00000000 0.50000000 1.0 Ir Ir11 1 0.71561472 0.56954595 0.50000000 1.0 Ir Ir12 1 0.56954595 0.28438528 0.50000000 1.0 Ir Ir13 1 0.43045405 0.71561472 0.50000000 1.0 Ir Ir14 1 0.28438528 0.43045405 0.50000000 1.0 Ir Ir15 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir16 1 0.93045405 0.78438528 0.50000000 1.0 Ir Ir17 1 0.78438528 0.06954595 0.50000000 1.0 Ir Ir18 1 0.21561472 0.93045405 0.50000000 1.0 Ir Ir19 1 0.06954595 0.21561472 0.50000000 1.0