# generated using pymatgen data_Sc5Ti(B2Ir5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09092278 _cell_length_b 9.46844440 _cell_length_c 9.46844440 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Ti(B2Ir5)2 _chemical_formula_sum 'Sc5 Ti1 B4 Ir10' _cell_volume 277.10567647 _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 0.00000000 0.17600585 0.67625853 1.0 Sc Sc1 1 0.00000000 0.82399415 0.32374147 1.0 Sc Sc2 1 0.00000000 0.32374147 0.17600585 1.0 Sc Sc3 1 0.00000000 0.67625853 0.82399415 1.0 Sc Sc4 1 0.00000000 0.50000000 0.50000000 1.0 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1.0 B B6 1 0.00000000 0.62272106 0.12215925 1.0 B B7 1 0.00000000 0.37727894 0.87784075 1.0 B B8 1 0.00000000 0.87784075 0.62272106 1.0 B B9 1 0.00000000 0.12215925 0.37727894 1.0 Ir Ir10 1 0.50000000 0.06678190 0.21648078 1.0 Ir Ir11 1 0.50000000 0.93321810 0.78351922 1.0 Ir Ir12 1 0.50000000 0.78351922 0.06678190 1.0 Ir Ir13 1 0.50000000 0.42553832 0.72318603 1.0 Ir Ir14 1 0.50000000 0.21648078 0.93321810 1.0 Ir Ir15 1 0.50000000 0.57446168 0.27681397 1.0 Ir Ir16 1 0.50000000 0.72318603 0.57446168 1.0 Ir Ir17 1 0.50000000 0.27681397 0.42553832 1.0 Ir Ir18 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50000000 0.50000000 0.00000000 1.0