# generated using pymatgen data_Lu3Si13Ir4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70431900 _cell_length_b 8.70431900 _cell_length_c 8.70431900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu3Si13Ir4 _chemical_formula_sum 'Lu6 Si26 Ir8' _cell_volume 659.48420227 _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 0.50000000 0.75000000 1.0 Lu Lu1 1 0.50000000 0.25000000 0.00000000 1.0 Lu Lu2 1 0.75000000 0.00000000 0.50000000 1.0 Lu Lu3 1 0.00000000 0.50000000 0.25000000 1.0 Lu Lu4 1 0.50000000 0.75000000 0.00000000 1.0 Lu Lu5 1 0.25000000 0.00000000 0.50000000 1.0 Si Si6 1 0.50000000 0.50000000 0.50000000 1.0 Si Si7 1 0.00000000 0.00000000 0.00000000 1.0 Si Si8 1 0.79756400 0.36177200 0.50000000 1.0 Si Si9 1 0.63822800 0.50000000 0.79756400 1.0 Si Si10 1 0.50000000 0.20243600 0.63822800 1.0 Si Si11 1 0.20243600 0.63822800 0.50000000 1.0 Si Si12 1 0.36177200 0.50000000 0.20243600 1.0 Si Si13 1 0.50000000 0.79756400 0.36177200 1.0 Si Si14 1 0.79756400 0.63822800 0.50000000 1.0 Si Si15 1 0.63822800 0.50000000 0.20243600 1.0 Si Si16 1 0.20243600 0.36177200 0.50000000 1.0 Si Si17 1 0.36177200 0.50000000 0.79756400 1.0 Si Si18 1 0.50000000 0.79756400 0.63822800 1.0 Si Si19 1 0.50000000 0.20243600 0.36177200 1.0 Si Si20 1 0.29756400 0.00000000 0.86177200 1.0 Si Si21 1 0.13822800 0.29756400 0.00000000 1.0 Si Si22 1 0.00000000 0.13822800 0.70243600 1.0 Si Si23 1 0.70243600 0.00000000 0.13822800 1.0 Si Si24 1 0.86177200 0.70243600 0.00000000 1.0 Si Si25 1 0.00000000 0.86177200 0.29756400 1.0 Si Si26 1 0.29756400 0.00000000 0.13822800 1.0 Si Si27 1 0.13822800 0.70243600 0.00000000 1.0 Si Si28 1 0.70243600 0.00000000 0.86177200 1.0 Si Si29 1 0.86177200 0.29756400 0.00000000 1.0 Si Si30 1 0.00000000 0.13822800 0.29756400 1.0 Si Si31 1 0.00000000 0.86177200 0.70243600 1.0 Ir Ir32 1 0.75000000 0.25000000 0.75000000 1.0 Ir Ir33 1 0.25000000 0.75000000 0.25000000 1.0 Ir Ir34 1 0.75000000 0.75000000 0.25000000 1.0 Ir Ir35 1 0.25000000 0.25000000 0.75000000 1.0 Ir Ir36 1 0.25000000 0.75000000 0.75000000 1.0 Ir Ir37 1 0.75000000 0.25000000 0.25000000 1.0 Ir Ir38 1 0.25000000 0.25000000 0.25000000 1.0 Ir Ir39 1 0.75000000 0.75000000 0.75000000 1.0