# generated using pymatgen data_Na2Hf3Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.67219095 _cell_length_b 12.67219193 _cell_length_c 3.90023101 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000253 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Hf3Si12Ir19 _chemical_formula_sum 'Na2 Hf3 Si12 Ir19' _cell_volume 542.40589604 _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 0.33333300 0.66666700 0.00000000 1.0 Na Na1 1 0.66666700 0.33333300 0.00000000 1.0 Hf Hf2 1 0.00000000 0.82109584 0.50000000 1.0 Hf Hf3 1 0.17890416 0.17890416 0.50000000 1.0 Hf Hf4 1 0.82109584 0.00000000 0.50000000 1.0 Si Si5 1 0.00000000 0.17773139 0.00000000 1.0 Si Si6 1 0.82226861 0.82226861 0.00000000 1.0 Si Si7 1 0.17773139 0.00000000 0.00000000 1.0 Si Si8 1 0.51718279 0.68497417 0.50000000 1.0 Si Si9 1 0.31502583 0.83220862 0.50000000 1.0 Si Si10 1 0.16779138 0.48281721 0.50000000 1.0 Si Si11 1 0.48281721 0.16779138 0.50000000 1.0 Si Si12 1 0.68497417 0.51718279 0.50000000 1.0 Si Si13 1 0.83220862 0.31502583 0.50000000 1.0 Si Si14 1 0.00000000 0.63109238 0.00000000 1.0 Si Si15 1 0.36890762 0.36890762 0.00000000 1.0 Si Si16 1 0.63109238 1.00000000 0.00000000 1.0 Ir Ir17 1 0.00000000 0.27954691 0.50000000 1.0 Ir Ir18 1 0.72045309 0.72045309 0.50000000 1.0 Ir Ir19 1 0.27954691 1.00000000 0.50000000 1.0 Ir Ir20 1 0.63059259 0.81262419 0.00000000 1.0 Ir Ir21 1 0.18737581 0.81796839 0.00000000 1.0 Ir Ir22 1 0.18203161 0.36940741 0.00000000 1.0 Ir Ir23 1 0.36940741 0.18203161 0.00000000 1.0 Ir Ir24 1 0.81262419 0.63059259 0.00000000 1.0 Ir Ir25 1 0.81796839 0.18737581 0.00000000 1.0 Ir Ir26 1 0.51556315 0.87352047 0.50000000 1.0 Ir Ir27 1 0.12647953 0.64204068 0.50000000 1.0 Ir Ir28 1 0.35795932 0.48443685 0.50000000 1.0 Ir Ir29 1 0.48443685 0.35795932 0.50000000 1.0 Ir Ir30 1 0.87352047 0.51556315 0.50000000 1.0 Ir Ir31 1 0.64204068 0.12647953 0.50000000 1.0 Ir Ir32 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir33 1 0.00000000 0.44448680 0.00000000 1.0 Ir Ir34 1 0.55551320 0.55551320 0.00000000 1.0 Ir Ir35 1 0.44448680 0.00000000 0.00000000 1.0