# generated using pymatgen data_Lu2TiB2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.43491660 _cell_length_b 9.43491660 _cell_length_c 3.18627910 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2TiB2Ir5 _chemical_formula_sum 'Lu4 Ti2 B4 Ir10' _cell_volume 283.63508219 _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 0.17594643 0.67594643 0.00000000 1.0 Lu Lu1 1 0.67594643 0.82405357 0.00000000 1.0 Lu Lu2 1 0.32405357 0.17594643 0.00000000 1.0 Lu Lu3 1 0.82405357 0.32405357 0.00000000 1.0 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti5 1 0.50000000 0.50000000 0.00000000 1.0 B B6 1 0.37914588 0.87914588 0.00000000 1.0 B B7 1 0.87914588 0.62085412 0.00000000 1.0 B B8 1 0.12085412 0.37914588 0.00000000 1.0 B B9 1 0.62085412 0.12085412 0.00000000 1.0 Ir Ir10 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir11 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir12 1 0.28186678 0.43033334 0.50000000 1.0 Ir Ir13 1 0.71813422 0.56966666 0.50000000 1.0 Ir Ir14 1 0.56966666 0.28186678 0.50000000 1.0 Ir Ir15 1 0.43033334 0.71813422 0.50000000 1.0 Ir Ir16 1 0.93033334 0.78186578 0.50000000 1.0 Ir Ir17 1 0.78186578 0.06966666 0.50000000 1.0 Ir Ir18 1 0.21813322 0.93033334 0.50000000 1.0 Ir Ir19 1 0.06966666 0.21813322 0.50000000 1.0