# generated using pymatgen data_Na4CaSi12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.67464835 _cell_length_b 12.67464931 _cell_length_c 3.98065824 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000263 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4CaSi12Ir19 _chemical_formula_sum 'Na4 Ca1 Si12 Ir19' _cell_volume 553.80565259 _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 0.00148923 0.18334732 0.50000000 1.0 Na Na1 1 0.81665268 0.81814191 0.50000000 1.0 Na Na2 1 0.18185809 0.99851077 0.50000000 1.0 Na Na3 1 0.66666700 0.33333300 0.00000000 1.0 Ca Ca4 1 0.33333300 0.66666700 0.00000000 1.0 Si Si5 1 0.48009460 0.31060682 0.50000000 1.0 Si Si6 1 0.81909891 0.00212416 0.00000000 1.0 Si Si7 1 0.18302625 0.18090109 0.00000000 1.0 Si Si8 1 0.99787584 0.81697375 0.00000000 1.0 Si Si9 1 0.37142037 0.00086822 0.00000000 1.0 Si Si10 1 0.68939318 0.16948878 0.50000000 1.0 Si Si11 1 0.83051122 0.51990540 0.50000000 1.0 Si Si12 1 0.52361419 0.83439168 0.50000000 1.0 Si Si13 1 0.16560832 0.68922251 0.50000000 1.0 Si Si14 1 0.31077749 0.47638581 0.50000000 1.0 Si Si15 1 0.99913178 0.37055215 0.00000000 1.0 Si Si16 1 0.62944785 0.62857963 0.00000000 1.0 Ir Ir17 1 0.80624532 0.18549729 0.00000000 1.0 Ir Ir18 1 0.37925097 0.19375468 0.00000000 1.0 Ir Ir19 1 0.63720745 0.51313412 0.50000000 1.0 Ir Ir20 1 0.87592567 0.36279255 0.50000000 1.0 Ir Ir21 1 0.36125740 0.87377874 0.50000000 1.0 Ir Ir22 1 0.51252134 0.63874260 0.50000000 1.0 Ir Ir23 1 0.12622126 0.48747866 0.50000000 1.0 Ir Ir24 1 0.81450271 0.62074903 0.00000000 1.0 Ir Ir25 1 0.62435019 0.81563618 0.00000000 1.0 Ir Ir26 1 0.18436382 0.80871301 0.00000000 1.0 Ir Ir27 1 0.19128699 0.37564981 0.00000000 1.0 Ir Ir28 1 0.99834846 0.71831717 0.50000000 1.0 Ir Ir29 1 0.28168283 0.28003129 0.50000000 1.0 Ir Ir30 1 0.71996871 0.00165154 0.50000000 1.0 Ir Ir31 1 0.00254048 0.55633441 0.00000000 1.0 Ir Ir32 1 0.44366559 0.44620607 0.00000000 1.0 Ir Ir33 1 0.55379393 0.99745952 0.00000000 1.0 Ir Ir34 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir35 1 0.48686588 0.12407433 0.50000000 1.0