# generated using pymatgen data_Na3NiN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.31783000 _cell_length_b 10.75930263 _cell_length_c 10.75930262 _cell_angle_alpha 89.99999752 _cell_angle_beta 125.26438797 _cell_angle_gamma 54.73561207 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3NiN2 _chemical_formula_sum 'Na24 Ni8 N16' _cell_volume 622.76245157 _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 0.19099500 0.06249800 0.95348100 1.0 Na Na1 1 0.80900500 0.75349300 0.54651900 1.0 Na Na2 1 0.80900500 0.43750200 0.76248600 1.0 Na Na3 1 0.19099500 0.74650700 0.73751400 1.0 Na Na4 1 0.28403300 0.76248600 0.30001200 1.0 Na Na5 1 0.71596700 0.73751400 0.01597900 1.0 Na Na6 1 0.28403300 0.95348100 0.48402100 1.0 Na Na7 1 0.71596700 0.54651900 0.19998800 1.0 Na Na8 1 0.68400900 0.01597900 0.74650700 1.0 Na Na9 1 0.68400900 0.30001200 0.43750200 1.0 Na Na10 1 0.31599100 0.19998800 0.75349300 1.0 Na Na11 1 0.31599100 0.48402100 0.06249800 1.0 Na Na12 1 0.80900500 0.93750200 0.04651900 1.0 Na Na13 1 0.19099500 0.24650700 0.45348100 1.0 Na Na14 1 0.19099500 0.56249800 0.23751400 1.0 Na Na15 1 0.80900500 0.25349300 0.26248600 1.0 Na Na16 1 0.71596700 0.23751400 0.69998800 1.0 Na Na17 1 0.28403300 0.26248600 0.98402100 1.0 Na Na18 1 0.71596700 0.04651900 0.51597900 1.0 Na Na19 1 0.28403300 0.45348100 0.80001200 1.0 Na Na20 1 0.31599100 0.98402100 0.25349300 1.0 Na Na21 1 0.31599100 0.69998800 0.56249800 1.0 Na Na22 1 0.68400900 0.80001200 0.24650700 1.0 Na Na23 1 0.68400900 0.51597900 0.93750200 1.0 Ni Ni24 1 0.20313200 0.00000000 0.70313200 1.0 Ni Ni25 1 0.79686800 0.70313200 0.79686800 1.0 Ni Ni26 1 0.79686800 0.50000000 0.50000000 1.0 Ni Ni27 1 0.20313200 0.79686800 0.00000000 1.0 Ni Ni28 1 0.79686800 0.00000000 0.29686800 1.0 Ni Ni29 1 0.20313200 0.29686800 0.20313200 1.0 Ni Ni30 1 0.20313200 0.50000000 0.50000000 1.0 Ni Ni31 1 0.79686800 0.20313200 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 0.93305400 0.75000000 1.0 N N37 1 0.50000000 0.56694600 0.25000000 1.0 N N38 1 0.00000000 0.25000000 0.68305400 1.0 N N39 1 0.00000000 0.75000000 0.81694600 1.0 N N40 1 0.63389200 0.68305400 0.56694600 1.0 N N41 1 0.36610800 0.81694600 0.93305400 1.0 N N42 1 0.50000000 0.06694600 0.25000000 1.0 N N43 1 0.50000000 0.43305400 0.75000000 1.0 N N44 1 0.00000000 0.75000000 0.31694600 1.0 N N45 1 0.00000000 0.25000000 0.18305400 1.0 N N46 1 0.36610800 0.31694600 0.43305400 1.0 N N47 1 0.63389200 0.18305400 0.06694600 1.0