# generated using pymatgen data_KRuN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84196600 _cell_length_b 11.61190200 _cell_length_c 16.23604500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KRuN2 _chemical_formula_sum 'K16 Ru16 N32' _cell_volume 1101.39381496 _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 0.24808600 0.00387000 0.43676500 1.0 K K1 1 0.74808600 0.49613000 0.56323500 1.0 K K2 1 0.75191400 0.50387000 0.06323500 1.0 K K3 1 0.25191400 0.99613000 0.93676500 1.0 K K4 1 0.75191400 0.99613000 0.56323500 1.0 K K5 1 0.25191400 0.50387000 0.43676500 1.0 K K6 1 0.24808600 0.49613000 0.93676500 1.0 K K7 1 0.74808600 0.00387000 0.06323500 1.0 K K8 1 0.31956200 0.26047300 0.31353300 1.0 K K9 1 0.81956200 0.23952700 0.68646700 1.0 K K10 1 0.68043800 0.76047300 0.18646700 1.0 K K11 1 0.18043800 0.73952700 0.81353300 1.0 K K12 1 0.68043800 0.73952700 0.68646700 1.0 K K13 1 0.18043800 0.76047300 0.31353300 1.0 K K14 1 0.31956200 0.23952700 0.81353300 1.0 K K15 1 0.81956200 0.26047300 0.18646700 1.0 Ru Ru16 1 0.74227700 0.00649300 0.31186000 1.0 Ru Ru17 1 0.24227700 0.49350700 0.68814000 1.0 Ru Ru18 1 0.25772300 0.50649300 0.18814000 1.0 Ru Ru19 1 0.75772300 0.99350700 0.81186000 1.0 Ru Ru20 1 0.25772300 0.99350700 0.68814000 1.0 Ru Ru21 1 0.75772300 0.50649300 0.31186000 1.0 Ru Ru22 1 0.74227700 0.49350700 0.81186000 1.0 Ru Ru23 1 0.24227700 0.00649300 0.18814000 1.0 Ru Ru24 1 0.79035400 0.26277900 0.43738000 1.0 Ru Ru25 1 0.29035400 0.23722100 0.56262000 1.0 Ru Ru26 1 0.20964600 0.76277900 0.06262000 1.0 Ru Ru27 1 0.70964600 0.73722100 0.93738000 1.0 Ru Ru28 1 0.20964600 0.73722100 0.56262000 1.0 Ru Ru29 1 0.70964600 0.76277900 0.43738000 1.0 Ru Ru30 1 0.79035400 0.23722100 0.93738000 1.0 Ru Ru31 1 0.29035400 0.26277900 0.06262000 1.0 N N32 1 0.09449200 0.27642800 0.47577200 1.0 N N33 1 0.59449200 0.22357200 0.52422800 1.0 N N34 1 0.90550800 0.77642800 0.02422800 1.0 N N35 1 0.40550800 0.72357200 0.97577200 1.0 N N36 1 0.90550800 0.72357200 0.52422800 1.0 N N37 1 0.40550800 0.77642800 0.47577200 1.0 N N38 1 0.09449200 0.22357200 0.97577200 1.0 N N39 1 0.59449200 0.27642800 0.02422800 1.0 N N40 1 0.68740700 0.40779400 0.39942300 1.0 N N41 1 0.18740700 0.09220600 0.60057700 1.0 N N42 1 0.31259300 0.90779400 0.10057700 1.0 N N43 1 0.81259300 0.59220600 0.89942300 1.0 N N44 1 0.31259300 0.59220600 0.60057700 1.0 N N45 1 0.81259300 0.90779400 0.39942300 1.0 N N46 1 0.68740700 0.09220600 0.89942300 1.0 N N47 1 0.18740700 0.40779400 0.10057700 1.0 N N48 1 0.77148200 0.15862900 0.34872100 1.0 N N49 1 0.27148200 0.34137100 0.65127900 1.0 N N50 1 0.22851800 0.65862900 0.15127900 1.0 N N51 1 0.72851800 0.84137100 0.84872100 1.0 N N52 1 0.22851800 0.84137100 0.65127900 1.0 N N53 1 0.72851800 0.65862900 0.34872100 1.0 N N54 1 0.77148200 0.34137100 0.84872100 1.0 N N55 1 0.27148200 0.15862900 0.15127900 1.0 N N56 1 0.56054700 0.47814600 0.22267800 1.0 N N57 1 0.06054700 0.02185400 0.77732200 1.0 N N58 1 0.43945300 0.97814600 0.27732200 1.0 N N59 1 0.93945300 0.52185400 0.72267800 1.0 N N60 1 0.43945300 0.52185400 0.77732200 1.0 N N61 1 0.93945300 0.97814600 0.22267800 1.0 N N62 1 0.56054700 0.02185400 0.72267800 1.0 N N63 1 0.06054700 0.47814600 0.27732200 1.0