# generated using pymatgen data_Mg6B6Ir11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91803115 _cell_length_b 8.69196868 _cell_length_c 11.52705339 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6B6Ir11 _chemical_formula_sum 'Mg6 B6 Ir11' _cell_volume 292.36567351 _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 Mg Mg0 1 0.50000000 0.00000000 0.50000000 1.0 Mg Mg1 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg2 1 0.50000000 0.65203830 0.50000000 1.0 Mg Mg3 1 0.50000000 0.34796170 0.50000000 1.0 Mg Mg4 1 0.50000000 0.00000000 0.20515946 1.0 Mg Mg5 1 0.50000000 0.00000000 0.79484054 1.0 B B6 1 0.50000000 0.80866261 0.00000000 1.0 B B7 1 0.50000000 0.19133739 0.00000000 1.0 B B8 1 0.50000000 0.68538996 0.26960772 1.0 B B9 1 0.50000000 0.31461004 0.26960772 1.0 B B10 1 0.50000000 0.31461004 0.73039228 1.0 B B11 1 0.50000000 0.68538996 0.73039228 1.0 Ir Ir12 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir13 1 0.00000000 0.50000000 0.30934445 1.0 Ir Ir14 1 0.00000000 0.50000000 0.69065555 1.0 Ir Ir15 1 0.00000000 0.72181901 0.12402215 1.0 Ir Ir16 1 0.00000000 0.27818099 0.12402215 1.0 Ir Ir17 1 0.00000000 0.27818099 0.87597785 1.0 Ir Ir18 1 0.00000000 0.72181901 0.87597785 1.0 Ir Ir19 1 0.00000000 0.82336069 0.35560752 1.0 Ir Ir20 1 0.00000000 0.17663931 0.35560752 1.0 Ir Ir21 1 0.00000000 0.17663931 0.64439248 1.0 Ir Ir22 1 0.00000000 0.82336069 0.64439248 1.0