# generated using pymatgen data_Na2Lu3Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.67885992 _cell_length_b 12.66816550 _cell_length_c 3.96982759 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.97210156 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Lu3Si12Ir19 _chemical_formula_sum 'Na2 Lu3 Si12 Ir19' _cell_volume 552.35492501 _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 Na Na0 1 0.18459949 0.18480769 0.50000000 1.0 Na Na1 1 0.81540051 0.00020820 0.50000000 1.0 Lu Lu2 1 1.00000000 0.82523913 0.50000000 1.0 Lu Lu3 1 0.33247242 0.66630853 0.00000000 1.0 Lu Lu4 1 0.66752758 0.33383511 0.00000000 1.0 Si Si5 1 1.00000000 0.18270148 0.00000000 1.0 Si Si6 1 0.81765123 0.81978936 0.00000000 1.0 Si Si7 1 0.18234877 0.00213813 0.00000000 1.0 Si Si8 1 0.52097760 0.68862826 0.50000000 1.0 Si Si9 1 0.31155742 0.83176949 0.50000000 1.0 Si Si10 1 0.16869463 0.47855783 0.50000000 1.0 Si Si11 1 0.47902240 0.16764966 0.50000000 1.0 Si Si12 1 0.68844258 0.52021107 0.50000000 1.0 Si Si13 1 0.83130537 0.30986320 0.50000000 1.0 Si Si14 1 0.00000000 0.63371588 0.00000000 1.0 Si Si15 1 0.36789091 0.36674985 0.00000000 1.0 Si Si16 1 0.63210909 0.99885894 0.00000000 1.0 Ir Ir17 1 1.00000000 0.28129154 0.50000000 1.0 Ir Ir18 1 0.71924147 0.71767436 0.50000000 1.0 Ir Ir19 1 0.28075853 0.99843288 0.50000000 1.0 Ir Ir20 1 0.62009275 0.80397893 0.00000000 1.0 Ir Ir21 1 0.19149372 0.81641810 0.00000000 1.0 Ir Ir22 1 0.18544017 0.38068233 0.00000000 1.0 Ir Ir23 1 0.37990725 0.18388618 0.00000000 1.0 Ir Ir24 1 0.80850628 0.62492438 0.00000000 1.0 Ir Ir25 1 0.81455983 0.19524216 0.00000000 1.0 Ir Ir26 1 0.51014938 0.87149952 0.50000000 1.0 Ir Ir27 1 0.12775043 0.63791175 0.50000000 1.0 Ir Ir28 1 0.36363437 0.48895204 0.50000000 1.0 Ir Ir29 1 0.48985062 0.36135114 0.50000000 1.0 Ir Ir30 1 0.87224957 0.51016232 0.50000000 1.0 Ir Ir31 1 0.63636563 0.12531867 0.50000000 1.0 Ir Ir32 1 0.00000000 0.99745937 0.00000000 1.0 Ir Ir33 1 1.00000000 0.44862317 0.00000000 1.0 Ir Ir34 1 0.55497653 0.55006795 0.00000000 1.0 Ir Ir35 1 0.44502347 0.99509042 0.00000000 1.0