# generated using pymatgen data_Sc2BeB2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.32082200 _cell_length_b 9.32082200 _cell_length_c 2.97357700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2BeB2Ir5 _chemical_formula_sum 'Sc4 Be2 B4 Ir10' _cell_volume 258.33759820 _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 0.67645300 0.17645300 0.00000000 1.0 Sc Sc1 1 0.32354700 0.82354700 0.00000000 1.0 Sc Sc2 1 0.17645300 0.32354700 0.00000000 1.0 Sc Sc3 1 0.82354700 0.67645300 0.00000000 1.0 Be Be4 1 0.00000000 0.00000000 0.00000000 1.0 Be Be5 1 0.50000000 0.50000000 0.00000000 1.0 B B6 1 0.12812300 0.62812300 0.00000000 1.0 B B7 1 0.87187700 0.37187700 0.00000000 1.0 B B8 1 0.62812300 0.87187700 0.00000000 1.0 B B9 1 0.37187700 0.12812300 0.00000000 1.0 Ir Ir10 1 0.20846300 0.06818100 0.50000000 1.0 Ir Ir11 1 0.79153700 0.93181900 0.50000000 1.0 Ir Ir12 1 0.06818100 0.79153700 0.50000000 1.0 Ir Ir13 1 0.70846300 0.43181900 0.50000000 1.0 Ir Ir14 1 0.93181900 0.20846300 0.50000000 1.0 Ir Ir15 1 0.29153700 0.56818100 0.50000000 1.0 Ir Ir16 1 0.56818100 0.70846300 0.50000000 1.0 Ir Ir17 1 0.43181900 0.29153700 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