# generated using pymatgen data_Na2Sc3Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.68292384 _cell_length_b 12.68292355 _cell_length_c 3.91777238 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000075 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Sc3Si12Ir19 _chemical_formula_sum 'Na2 Sc3 Si12 Ir19' _cell_volume 545.76865369 _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 Sc Sc2 1 0.82075541 0.00000000 0.50000000 1.0 Sc Sc3 1 0.00000000 0.82075541 0.50000000 1.0 Sc Sc4 1 0.17924459 0.17924459 0.50000000 1.0 Si Si5 1 0.17951905 0.00000000 0.00000000 1.0 Si Si6 1 0.00000000 0.17951905 0.00000000 1.0 Si Si7 1 0.82048095 0.82048095 0.00000000 1.0 Si Si8 1 0.16776292 0.48179289 0.50000000 1.0 Si Si9 1 0.51820711 0.68596902 0.50000000 1.0 Si Si10 1 0.31403098 0.83223708 0.50000000 1.0 Si Si11 1 0.68596902 0.51820711 0.50000000 1.0 Si Si12 1 0.83223708 0.31403098 0.50000000 1.0 Si Si13 1 0.48179289 0.16776292 0.50000000 1.0 Si Si14 1 0.63078732 0.00000000 0.00000000 1.0 Si Si15 1 1.00000000 0.63078732 0.00000000 1.0 Si Si16 1 0.36921268 0.36921268 0.00000000 1.0 Ir Ir17 1 0.44490846 0.00000000 0.00000000 1.0 Ir Ir18 1 0.00000000 0.44490846 0.00000000 1.0 Ir Ir19 1 0.55509154 0.55509154 0.00000000 1.0 Ir Ir20 1 0.35932142 0.48523759 0.50000000 1.0 Ir Ir21 1 0.51476241 0.87408482 0.50000000 1.0 Ir Ir22 1 0.12591518 0.64067858 0.50000000 1.0 Ir Ir23 1 0.87408482 0.51476241 0.50000000 1.0 Ir Ir24 1 0.64067858 0.12591518 0.50000000 1.0 Ir Ir25 1 0.48523759 0.35932142 0.50000000 1.0 Ir Ir26 1 0.18303327 0.37388506 0.00000000 1.0 Ir Ir27 1 0.62611494 0.80914821 0.00000000 1.0 Ir Ir28 1 0.19085179 0.81696673 0.00000000 1.0 Ir Ir29 1 0.80914821 0.62611494 0.00000000 1.0 Ir Ir30 1 0.81696673 0.19085179 0.00000000 1.0 Ir Ir31 1 0.37388506 0.18303327 0.00000000 1.0 Ir Ir32 1 0.28032471 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.28032471 0.50000000 1.0 Ir Ir34 1 0.71967529 0.71967529 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0