# generated using pymatgen data_Na3IrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03127800 _cell_length_b 7.73134600 _cell_length_c 11.05423098 _cell_angle_alpha 48.72186614 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3IrN2 _chemical_formula_sum 'Na12 Ir4 N8' _cell_volume 451.60227563 _cell_formula_units_Z 4 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 0.01023600 0.85761100 0.94530000 1.0 Na Na1 1 0.51023600 0.14238900 0.55470000 1.0 Na Na2 1 0.98976400 0.14238900 0.05470000 1.0 Na Na3 1 0.48976400 0.85761100 0.44530000 1.0 Na Na4 1 0.48174900 0.80545800 0.95839300 1.0 Na Na5 1 0.98174900 0.19454200 0.54160700 1.0 Na Na6 1 0.51825100 0.19454200 0.04160700 1.0 Na Na7 1 0.01825100 0.80545800 0.45839300 1.0 Na Na8 1 0.27006400 0.33536900 0.75854000 1.0 Na Na9 1 0.77006400 0.66463100 0.74146000 1.0 Na Na10 1 0.72993600 0.66463100 0.24146000 1.0 Na Na11 1 0.22993600 0.33536900 0.25854000 1.0 Ir Ir12 1 0.20203800 0.73807300 0.75181800 1.0 Ir Ir13 1 0.70203800 0.26192700 0.74818200 1.0 Ir Ir14 1 0.79796200 0.26192700 0.24818200 1.0 Ir Ir15 1 0.29796200 0.73807300 0.25181800 1.0 N N16 1 0.75159300 0.03915400 0.95897900 1.0 N N17 1 0.25159300 0.96084600 0.54102100 1.0 N N18 1 0.24840700 0.96084600 0.04102100 1.0 N N19 1 0.74840700 0.03915400 0.45897900 1.0 N N20 1 0.56577500 0.45956900 0.54863400 1.0 N N21 1 0.06577500 0.54043100 0.95136600 1.0 N N22 1 0.43422500 0.54043100 0.45136600 1.0 N N23 1 0.93422500 0.45956900 0.04863400 1.0