# generated using pymatgen data_Na3Sc2Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.64378785 _cell_length_b 12.67780989 _cell_length_c 3.94099235 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.91126721 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Sc2Si12Ir19 _chemical_formula_sum 'Na3 Sc2 Si12 Ir19' _cell_volume 547.57710351 _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 0.33337815 0.66689228 0.00000000 1.0 Na Na1 1 0.66648687 0.33310772 0.00000000 1.0 Na Na2 1 0.81395398 0.00000000 0.50000000 1.0 Sc Sc3 1 0.99915948 0.82216764 0.50000000 1.0 Sc Sc4 1 0.17699184 0.17783236 0.50000000 1.0 Si Si5 1 0.17840139 0.00000000 0.00000000 1.0 Si Si6 1 0.00023170 0.18195328 0.00000000 1.0 Si Si7 1 0.81827842 0.81804672 0.00000000 1.0 Si Si8 1 0.16978089 0.48270616 0.50000000 1.0 Si Si9 1 0.51966466 0.68765884 0.50000000 1.0 Si Si10 1 0.31366153 0.83282085 0.50000000 1.0 Si Si11 1 0.68707373 0.51729384 0.50000000 1.0 Si Si12 1 0.83200482 0.31234116 0.50000000 1.0 Si Si13 1 0.48083968 0.16717915 0.50000000 1.0 Si Si14 1 0.62994333 0.00000000 0.00000000 1.0 Si Si15 1 0.00113156 0.63121960 0.00000000 1.0 Si Si16 1 0.36991196 0.36878040 0.00000000 1.0 Ir Ir17 1 0.44355798 0.00000000 0.00000000 1.0 Ir Ir18 1 0.00510804 0.44814091 0.00000000 1.0 Ir Ir19 1 0.55696713 0.55185909 0.00000000 1.0 Ir Ir20 1 0.36192180 0.48635982 0.50000000 1.0 Ir Ir21 1 0.51444252 0.87504956 0.50000000 1.0 Ir Ir22 1 0.12725107 0.64159938 0.50000000 1.0 Ir Ir23 1 0.87556198 0.51364018 0.50000000 1.0 Ir Ir24 1 0.63939296 0.12495044 0.50000000 1.0 Ir Ir25 1 0.48565169 0.35840062 0.50000000 1.0 Ir Ir26 1 0.18536809 0.37486914 0.00000000 1.0 Ir Ir27 1 0.62095977 0.80435792 0.00000000 1.0 Ir Ir28 1 0.18973817 0.81762675 0.00000000 1.0 Ir Ir29 1 0.81049894 0.62513086 0.00000000 1.0 Ir Ir30 1 0.81660285 0.19564208 0.00000000 1.0 Ir Ir31 1 0.37211242 0.18237325 0.00000000 1.0 Ir Ir32 1 0.27931163 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00356988 0.28293342 0.50000000 1.0 Ir Ir34 1 0.72063646 0.71706658 0.50000000 1.0 Ir Ir35 1 0.00045264 0.00000000 0.00000000 1.0