# generated using pymatgen data_Mg5CuB6Ir11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92051780 _cell_length_b 8.59550597 _cell_length_c 11.45351705 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5CuB6Ir11 _chemical_formula_sum 'Mg5 Cu1 B6 Ir11' _cell_volume 287.52139767 _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 0.50000000 0.00000000 1.0 Mg Mg1 1 0.50000000 0.65646951 0.50000000 1.0 Mg Mg2 1 0.50000000 0.34353049 0.50000000 1.0 Mg Mg3 1 0.50000000 0.00000000 0.20145148 1.0 Mg Mg4 1 0.50000000 0.00000000 0.79854852 1.0 Cu Cu5 1 0.50000000 0.00000000 0.50000000 1.0 B B6 1 0.50000000 0.80731382 0.00000000 1.0 B B7 1 0.50000000 0.19268618 0.00000000 1.0 B B8 1 0.50000000 0.68820644 0.27364384 1.0 B B9 1 0.50000000 0.31179356 0.27364384 1.0 B B10 1 0.50000000 0.31179356 0.72635616 1.0 B B11 1 0.50000000 0.68820644 0.72635616 1.0 Ir Ir12 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir13 1 0.00000000 0.50000000 0.31104081 1.0 Ir Ir14 1 0.00000000 0.50000000 0.68895919 1.0 Ir Ir15 1 0.00000000 0.72270436 0.12545497 1.0 Ir Ir16 1 0.00000000 0.27729564 0.12545497 1.0 Ir Ir17 1 0.00000000 0.27729564 0.87454503 1.0 Ir Ir18 1 0.00000000 0.72270436 0.87454503 1.0 Ir Ir19 1 0.00000000 0.83164729 0.35622933 1.0 Ir Ir20 1 0.00000000 0.16835271 0.35622933 1.0 Ir Ir21 1 0.00000000 0.16835271 0.64377067 1.0 Ir Ir22 1 0.00000000 0.83164729 0.64377067 1.0