# generated using pymatgen data_KCrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72464600 _cell_length_b 11.48491500 _cell_length_c 15.68776200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCrN2 _chemical_formula_sum 'K16 Cr16 N32' _cell_volume 1031.42442895 _cell_formula_units_Z 16 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 K K0 1 0.24833900 0.00004800 0.43289500 1.0 K K1 1 0.74833900 0.49995200 0.56710500 1.0 K K2 1 0.75166100 0.50004800 0.06710500 1.0 K K3 1 0.25166100 0.99995200 0.93289500 1.0 K K4 1 0.75166100 0.99995200 0.56710500 1.0 K K5 1 0.25166100 0.50004800 0.43289500 1.0 K K6 1 0.24833900 0.49995200 0.93289500 1.0 K K7 1 0.74833900 0.00004800 0.06710500 1.0 K K8 1 0.35374800 0.25092200 0.30755100 1.0 K K9 1 0.85374800 0.24907800 0.69244900 1.0 K K10 1 0.64625200 0.75092200 0.19244900 1.0 K K11 1 0.14625200 0.74907800 0.80755100 1.0 K K12 1 0.64625200 0.74907800 0.69244900 1.0 K K13 1 0.14625200 0.75092200 0.30755100 1.0 K K14 1 0.35374800 0.24907800 0.80755100 1.0 K K15 1 0.85374800 0.25092200 0.19244900 1.0 Cr Cr16 1 0.74720000 0.00077200 0.31521200 1.0 Cr Cr17 1 0.24720000 0.49922800 0.68478800 1.0 Cr Cr18 1 0.25280000 0.50077200 0.18478800 1.0 Cr Cr19 1 0.75280000 0.99922800 0.81521200 1.0 Cr Cr20 1 0.25280000 0.99922800 0.68478800 1.0 Cr Cr21 1 0.75280000 0.50077200 0.31521200 1.0 Cr Cr22 1 0.74720000 0.49922800 0.81521200 1.0 Cr Cr23 1 0.24720000 0.00077200 0.18478800 1.0 Cr Cr24 1 0.81572500 0.25078300 0.44185500 1.0 Cr Cr25 1 0.31572600 0.24921700 0.55814500 1.0 Cr Cr26 1 0.18427500 0.75078300 0.05814500 1.0 Cr Cr27 1 0.68427500 0.74921700 0.94185500 1.0 Cr Cr28 1 0.18427500 0.74921700 0.55814500 1.0 Cr Cr29 1 0.68427500 0.75078300 0.44185500 1.0 Cr Cr30 1 0.81572500 0.24921700 0.94185500 1.0 Cr Cr31 1 0.31572600 0.25078300 0.05814500 1.0 N N32 1 0.11717300 0.25065600 0.47147300 1.0 N N33 1 0.61717300 0.24934400 0.52852700 1.0 N N34 1 0.88282700 0.75065600 0.02852700 1.0 N N35 1 0.38282700 0.74934400 0.97147300 1.0 N N36 1 0.88282700 0.74934400 0.52852700 1.0 N N37 1 0.38282700 0.75065600 0.47147300 1.0 N N38 1 0.11717300 0.24934400 0.97147300 1.0 N N39 1 0.61717300 0.25065600 0.02852700 1.0 N N40 1 0.75866500 0.37669200 0.38117000 1.0 N N41 1 0.25866500 0.12330800 0.61883000 1.0 N N42 1 0.24133500 0.87669200 0.11883000 1.0 N N43 1 0.74133500 0.62330800 0.88117000 1.0 N N44 1 0.24133500 0.62330800 0.61883000 1.0 N N45 1 0.74133500 0.87669200 0.38117000 1.0 N N46 1 0.75866500 0.12330800 0.88117000 1.0 N N47 1 0.25866500 0.37669200 0.11883000 1.0 N N48 1 0.76025400 0.12646100 0.37937100 1.0 N N49 1 0.26025400 0.37354000 0.62062900 1.0 N N50 1 0.23974600 0.62646000 0.12062900 1.0 N N51 1 0.73974600 0.87354000 0.87937100 1.0 N N52 1 0.23974600 0.87354000 0.62062900 1.0 N N53 1 0.73974600 0.62646000 0.37937100 1.0 N N54 1 0.76025400 0.37354000 0.87937100 1.0 N N55 1 0.26025400 0.12646100 0.12062900 1.0 N N56 1 0.50676800 0.50005100 0.24807700 1.0 N N57 1 0.00676800 0.99994900 0.75192300 1.0 N N58 1 0.49323200 0.00005100 0.25192300 1.0 N N59 1 0.99323200 0.49994900 0.74807700 1.0 N N60 1 0.49323200 0.49994900 0.75192300 1.0 N N61 1 0.99323200 0.00005100 0.24807700 1.0 N N62 1 0.50676800 0.99994900 0.74807700 1.0 N N63 1 0.00676800 0.50005100 0.25192300 1.0