# generated using pymatgen data_Lu3B2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.75559504 _cell_length_b 9.75559504 _cell_length_c 3.14799379 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu3B2Ir5 _chemical_formula_sum 'Lu6 B4 Ir10' _cell_volume 299.59971468 _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 0.17704870 0.67704870 0.00000000 1.0 Lu Lu1 1 0.32295130 0.17704870 0.00000000 1.0 Lu Lu2 1 0.82295130 0.32295130 0.00000000 1.0 Lu Lu3 1 0.50000000 0.50000000 0.00000000 1.0 Lu Lu4 1 0.67704870 0.82295130 0.00000000 1.0 Lu Lu5 1 0.00000000 0.00000000 0.00000000 1.0 B B6 1 0.37987222 0.87987222 0.00000000 1.0 B B7 1 0.12012778 0.37987222 0.00000000 1.0 B B8 1 0.87987222 0.62012778 0.00000000 1.0 B B9 1 0.62012778 0.12012778 0.00000000 1.0 Ir Ir10 1 0.22828184 0.93022620 0.50000000 1.0 Ir Ir11 1 0.93022620 0.77171816 0.50000000 1.0 Ir Ir12 1 0.43022620 0.72828184 0.50000000 1.0 Ir Ir13 1 0.56977380 0.27171816 0.50000000 1.0 Ir Ir14 1 0.72828184 0.56977380 0.50000000 1.0 Ir Ir15 1 0.27171816 0.43022620 0.50000000 1.0 Ir Ir16 1 0.06977380 0.22828184 0.50000000 1.0 Ir Ir17 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir18 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir19 1 0.77171816 0.06977380 0.50000000 1.0