# generated using pymatgen data_Sc2SiB2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.24687700 _cell_length_b 9.24687700 _cell_length_c 3.13392900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2SiB2Ir5 _chemical_formula_sum 'Sc4 Si2 B4 Ir10' _cell_volume 267.96576631 _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 0.17536000 0.67536000 0.00000000 1.0 Sc Sc1 1 0.67536000 0.82464000 0.00000000 1.0 Sc Sc2 1 0.32464000 0.17536000 0.00000000 1.0 Sc Sc3 1 0.82464000 0.32464000 0.00000000 1.0 Si Si4 1 0.00000000 0.00000000 0.00000000 1.0 Si Si5 1 0.50000000 0.50000000 0.00000000 1.0 B B6 1 0.37648700 0.87648700 0.00000000 1.0 B B7 1 0.87648700 0.62351300 0.00000000 1.0 B B8 1 0.12351300 0.37648700 0.00000000 1.0 B B9 1 0.62351300 0.12351300 0.00000000 1.0 Ir Ir10 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir11 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir12 1 0.28772200 0.42984600 0.50000000 1.0 Ir Ir13 1 0.71227900 0.57015400 0.50000000 1.0 Ir Ir14 1 0.57015400 0.28772200 0.50000000 1.0 Ir Ir15 1 0.42984600 0.71227900 0.50000000 1.0 Ir Ir16 1 0.92984600 0.78772100 0.50000000 1.0 Ir Ir17 1 0.78772100 0.07015400 0.50000000 1.0 Ir Ir18 1 0.21227800 0.92984600 0.50000000 1.0 Ir Ir19 1 0.07015400 0.21227800 0.50000000 1.0