# generated using pymatgen data_Lu2ScB2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11740877 _cell_length_b 9.66906390 _cell_length_c 9.66906390 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2ScB2Ir5 _chemical_formula_sum 'Lu4 Sc2 B4 Ir10' _cell_volume 291.44902986 _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 0.00000000 0.17704914 0.67704914 1.0 Lu Lu1 1 0.00000000 0.82295086 0.32295086 1.0 Lu Lu2 1 0.00000000 0.32295086 0.17704914 1.0 Lu Lu3 1 0.00000000 0.67704914 0.82295086 1.0 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc5 1 0.00000000 0.50000000 0.50000000 1.0 B B6 1 0.00000000 0.62100545 0.12100545 1.0 B B7 1 0.00000000 0.37899455 0.87899455 1.0 B B8 1 0.00000000 0.87899455 0.62100545 1.0 B B9 1 0.00000000 0.12100545 0.37899455 1.0 Ir Ir10 1 0.50000000 0.06938275 0.22444183 1.0 Ir Ir11 1 0.50000000 0.93061725 0.77555817 1.0 Ir Ir12 1 0.50000000 0.77555817 0.06938275 1.0 Ir Ir13 1 0.50000000 0.43061725 0.72444183 1.0 Ir Ir14 1 0.50000000 0.22444183 0.93061725 1.0 Ir Ir15 1 0.50000000 0.56938275 0.27555817 1.0 Ir Ir16 1 0.50000000 0.72444183 0.56938275 1.0 Ir Ir17 1 0.50000000 0.27555817 0.43061725 1.0 Ir Ir18 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50000000 0.50000000 0.00000000 1.0