# generated using pymatgen data_Pr2Lu(InIr6)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88583530 _cell_length_b 8.88583530 _cell_length_c 5.19327499 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.74329430 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2Lu(InIr6)3 _chemical_formula_sum 'Pr2 Lu1 In3 Ir18' _cell_volume 410.04684901 _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 Pr Pr0 1 0.50473472 0.49960761 0.00000000 1.0 Pr Pr1 1 0.99960761 0.00473472 0.00000000 1.0 Lu Lu2 1 0.11752937 0.61752937 0.00000000 1.0 In In3 1 0.87860963 0.37860963 0.00000000 1.0 In In4 1 0.37991090 0.12018468 0.00000000 1.0 In In5 1 0.62018468 0.87991090 0.00000000 1.0 Ir Ir6 1 0.99839485 0.49839485 0.50000000 1.0 Ir Ir7 1 0.50174259 0.00174259 0.50000000 1.0 Ir Ir8 1 0.55468648 0.70310572 0.50000000 1.0 Ir Ir9 1 0.44285452 0.29774925 0.50000000 1.0 Ir Ir10 1 0.94379033 0.20323640 0.50000000 1.0 Ir Ir11 1 0.05865903 0.79324791 0.50000000 1.0 Ir Ir12 1 0.70323640 0.44379033 0.50000000 1.0 Ir Ir13 1 0.29324791 0.55865903 0.50000000 1.0 Ir Ir14 1 0.20310572 0.05468648 0.50000000 1.0 Ir Ir15 1 0.79774925 0.94285452 0.50000000 1.0 Ir Ir16 1 0.32075266 0.82075266 0.75623727 1.0 Ir Ir17 1 0.68105653 0.18105653 0.75685287 1.0 Ir Ir18 1 0.18090355 0.31826425 0.75643464 1.0 Ir Ir19 1 0.81826425 0.68090355 0.75643464 1.0 Ir Ir20 1 0.68105653 0.18105653 0.24314713 1.0 Ir Ir21 1 0.32075266 0.82075266 0.24376273 1.0 Ir Ir22 1 0.81826425 0.68090355 0.24356536 1.0 Ir Ir23 1 0.18090355 0.31826425 0.24356536 1.0