# generated using pymatgen data_Zn6B6Ir11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88637900 _cell_length_b 8.64754200 _cell_length_c 11.54015000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn6B6Ir11 _chemical_formula_sum 'Zn6 B6 Ir11' _cell_volume 288.04310911 _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 Zn Zn0 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn1 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn2 1 0.50000000 0.64805600 0.50000000 1.0 Zn Zn3 1 0.50000000 0.35194400 0.50000000 1.0 Zn Zn4 1 0.50000000 0.00000000 0.20578200 1.0 Zn Zn5 1 0.50000000 0.00000000 0.79421800 1.0 B B6 1 0.50000000 0.80540000 0.00000000 1.0 B B7 1 0.50000000 0.19460000 0.00000000 1.0 B B8 1 0.50000000 0.68371100 0.26878200 1.0 B B9 1 0.50000000 0.31628900 0.26878200 1.0 B B10 1 0.50000000 0.31628900 0.73121800 1.0 B B11 1 0.50000000 0.68371100 0.73121800 1.0 Ir Ir12 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir13 1 0.00000000 0.50000000 0.31788900 1.0 Ir Ir14 1 0.00000000 0.50000000 0.68211100 1.0 Ir Ir15 1 0.00000000 0.71080800 0.12307800 1.0 Ir Ir16 1 0.00000000 0.28919200 0.12307800 1.0 Ir Ir17 1 0.00000000 0.28919200 0.87692200 1.0 Ir Ir18 1 0.00000000 0.71080800 0.87692200 1.0 Ir Ir19 1 0.00000000 0.82600900 0.35480700 1.0 Ir Ir20 1 0.00000000 0.17399100 0.35480700 1.0 Ir Ir21 1 0.00000000 0.17399100 0.64519300 1.0 Ir Ir22 1 0.00000000 0.82600900 0.64519300 1.0