# generated using pymatgen data_CuB3Ir4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79704149 _cell_length_b 2.83016061 _cell_length_c 22.92604117 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuB3Ir4 _chemical_formula_sum 'Cu2 B6 Ir8' _cell_volume 181.48429912 _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 Cu Cu0 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1.0 B B2 1 0.50000000 0.00000000 0.37943577 1.0 B B3 1 0.00000000 0.00000000 0.11884548 1.0 B B4 1 0.00000000 0.00000000 0.88115452 1.0 B B5 1 0.00000000 0.50000000 0.23956599 1.0 B B6 1 0.00000000 0.50000000 0.76043401 1.0 B B7 1 0.50000000 0.00000000 0.62056423 1.0 Ir Ir8 1 0.50000000 0.50000000 0.91888055 1.0 Ir Ir9 1 0.50000000 0.00000000 0.19520548 1.0 Ir Ir10 1 0.00000000 0.00000000 0.69196479 1.0 Ir Ir11 1 0.50000000 0.00000000 0.80479452 1.0 Ir Ir12 1 0.50000000 0.50000000 0.08111945 1.0 Ir Ir13 1 0.00000000 0.00000000 0.30803521 1.0 Ir Ir14 1 0.00000000 0.50000000 0.41955124 1.0 Ir Ir15 1 0.00000000 0.50000000 0.58044876 1.0