# generated using pymatgen data_Lu2MgB2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.60630755 _cell_length_b 9.60630755 _cell_length_c 3.06755503 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2MgB2Ir5 _chemical_formula_sum 'Lu4 Mg2 B4 Ir10' _cell_volume 283.07749033 _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 Lu Lu0 1 0.67807198 0.17807198 0.00000000 1.0 Lu Lu1 1 0.32192802 0.82192802 0.00000000 1.0 Lu Lu2 1 0.17807198 0.32192802 0.00000000 1.0 Lu Lu3 1 0.82192802 0.67807198 0.00000000 1.0 Mg Mg4 1 0.00000000 0.00000000 0.00000000 1.0 Mg Mg5 1 0.50000000 0.50000000 0.00000000 1.0 B B6 1 0.12348016 0.62348016 0.00000000 1.0 B B7 1 0.87651984 0.37651984 0.00000000 1.0 B B8 1 0.62348016 0.87651984 0.00000000 1.0 B B9 1 0.37651984 0.12348016 0.00000000 1.0 Ir Ir10 1 0.22170388 0.06829133 0.50000000 1.0 Ir Ir11 1 0.77829612 0.93170867 0.50000000 1.0 Ir Ir12 1 0.06829133 0.77829612 0.50000000 1.0 Ir Ir13 1 0.72170388 0.43170867 0.50000000 1.0 Ir Ir14 1 0.93170867 0.22170388 0.50000000 1.0 Ir Ir15 1 0.27829612 0.56829133 0.50000000 1.0 Ir Ir16 1 0.56829133 0.72170388 0.50000000 1.0 Ir Ir17 1 0.43170867 0.27829612 0.50000000 1.0 Ir Ir18 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir19 1 0.00000000 0.50000000 0.50000000 1.0