# generated using pymatgen data_CdB3Ir4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82428079 _cell_length_b 2.85082247 _cell_length_c 24.25954500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdB3Ir4 _chemical_formula_sum 'Cd2 B6 Ir8' _cell_volume 195.32628774 _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 Cd Cd0 1 0.50000000 0.00000000 0.50000000 1.0 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1.0 B B2 1 0.50000000 0.00000000 0.37121753 1.0 B B3 1 0.00000000 0.00000000 0.12575145 1.0 B B4 1 0.00000000 0.00000000 0.87424855 1.0 B B5 1 0.00000000 0.50000000 0.23938962 1.0 B B6 1 0.00000000 0.50000000 0.76061038 1.0 B B7 1 0.50000000 0.00000000 0.62878247 1.0 Ir Ir8 1 0.50000000 0.50000000 0.90874237 1.0 Ir Ir9 1 0.50000000 0.00000000 0.19810326 1.0 Ir Ir10 1 0.00000000 0.00000000 0.69587518 1.0 Ir Ir11 1 0.50000000 0.00000000 0.80189674 1.0 Ir Ir12 1 0.50000000 0.50000000 0.09125763 1.0 Ir Ir13 1 0.00000000 0.00000000 0.30412482 1.0 Ir Ir14 1 0.00000000 0.50000000 0.40871932 1.0 Ir Ir15 1 0.00000000 0.50000000 0.59128068 1.0