# generated using pymatgen data_Na3FeN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42403800 _cell_length_b 10.88194156 _cell_length_c 10.88194113 _cell_angle_alpha 90.00000101 _cell_angle_beta 125.26439198 _cell_angle_gamma 54.73560960 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3FeN2 _chemical_formula_sum 'Na24 Fe8 N16' _cell_volume 644.30149372 _cell_formula_units_Z 8 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 0.18823800 0.06451200 0.95441200 1.0 Na Na1 1 0.81176200 0.75274900 0.54558800 1.0 Na Na2 1 0.81176200 0.43548800 0.76617400 1.0 Na Na3 1 0.18823800 0.74725100 0.73382600 1.0 Na Na4 1 0.27941300 0.76617400 0.29833700 1.0 Na Na5 1 0.72058700 0.73382600 0.01892400 1.0 Na Na6 1 0.27941300 0.95441200 0.48107600 1.0 Na Na7 1 0.72058700 0.54558800 0.20166300 1.0 Na Na8 1 0.68273900 0.01892400 0.74725100 1.0 Na Na9 1 0.68273900 0.29833700 0.43548800 1.0 Na Na10 1 0.31726100 0.20166300 0.75274900 1.0 Na Na11 1 0.31726100 0.48107600 0.06451200 1.0 Na Na12 1 0.81176200 0.93548800 0.04558800 1.0 Na Na13 1 0.18823800 0.24725100 0.45441200 1.0 Na Na14 1 0.18823800 0.56451200 0.23382600 1.0 Na Na15 1 0.81176200 0.25274900 0.26617400 1.0 Na Na16 1 0.72058700 0.23382600 0.70166300 1.0 Na Na17 1 0.27941300 0.26617400 0.98107600 1.0 Na Na18 1 0.72058700 0.04558800 0.51892400 1.0 Na Na19 1 0.27941300 0.45441200 0.79833700 1.0 Na Na20 1 0.31726100 0.98107600 0.25274900 1.0 Na Na21 1 0.31726100 0.70166300 0.56451200 1.0 Na Na22 1 0.68273900 0.79833700 0.24725100 1.0 Na Na23 1 0.68273900 0.51892400 0.93548800 1.0 Fe Fe24 1 0.21064400 0.00000000 0.71064400 1.0 Fe Fe25 1 0.78935600 0.71064400 0.78935600 1.0 Fe Fe26 1 0.78935600 0.50000000 0.50000000 1.0 Fe Fe27 1 0.21064400 0.78935600 0.00000000 1.0 Fe Fe28 1 0.78935600 0.00000000 0.28935600 1.0 Fe Fe29 1 0.21064400 0.28935600 0.21064400 1.0 Fe Fe30 1 0.21064400 0.50000000 0.50000000 1.0 Fe Fe31 1 0.78935600 0.21064400 0.00000000 1.0 N N32 1 0.00000000 0.00000000 0.50000000 1.0 N N33 1 0.00000000 0.50000000 0.00000000 1.0 N N34 1 0.00000000 0.50000000 0.50000000 1.0 N N35 1 0.00000000 0.00000000 0.00000000 1.0 N N36 1 0.50000000 0.92951000 0.75000000 1.0 N N37 1 0.50000000 0.57049000 0.25000000 1.0 N N38 1 0.00000000 0.25000000 0.67951000 1.0 N N39 1 0.00000000 0.75000000 0.82049000 1.0 N N40 1 0.64098100 0.67951000 0.57049000 1.0 N N41 1 0.35901900 0.82049000 0.92951000 1.0 N N42 1 0.50000000 0.07049000 0.25000000 1.0 N N43 1 0.50000000 0.42951000 0.75000000 1.0 N N44 1 0.00000000 0.75000000 0.32049000 1.0 N N45 1 0.00000000 0.25000000 0.17951000 1.0 N N46 1 0.35901900 0.32049000 0.42951000 1.0 N N47 1 0.64098100 0.17951000 0.07049000 1.0