# generated using pymatgen data_Zr2N2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86681000 _cell_length_b 8.87617378 _cell_length_c 8.87817098 _cell_angle_alpha 109.65738107 _cell_angle_beta 109.36006578 _cell_angle_gamma 109.33705866 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2N2O _chemical_formula_sum 'Zr16 N16 O8' _cell_volume 538.28007234 _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 Zr Zr0 1 0.46453200 0.70864600 0.24945200 1.0 Zr Zr1 1 0.01011700 0.01727400 0.48985100 1.0 Zr Zr2 1 0.78806800 0.82247400 0.96799700 1.0 Zr Zr3 1 0.70551400 0.16756900 0.53620900 1.0 Zr Zr4 1 0.69172500 0.46989400 0.28071900 1.0 Zr Zr5 1 0.68264700 0.96687700 0.78099900 1.0 Zr Zr6 1 0.99863100 0.49755500 0.00203600 1.0 Zr Zr7 1 0.95161500 0.20377000 0.25474300 1.0 Zr Zr8 1 0.03306000 0.77504900 0.75753300 1.0 Zr Zr9 1 0.51356100 0.02031000 0.98826300 1.0 Zr Zr10 1 0.50680600 0.50233300 0.50241800 1.0 Zr Zr11 1 0.32128300 0.04481100 0.21232600 1.0 Zr Zr12 1 0.31595100 0.53328200 0.71292600 1.0 Zr Zr13 1 0.22146100 0.18322400 0.03634700 1.0 Zr Zr14 1 0.27990700 0.81907600 0.46670200 1.0 Zr Zr15 1 0.53882000 0.29040600 0.74899900 1.0 N N16 1 0.97559400 0.20481800 0.53507500 1.0 N N17 1 0.25656400 0.48446900 0.98385700 1.0 N N18 1 0.55800200 0.28671600 0.48633300 1.0 N N19 1 0.79943100 0.07371000 0.96999900 1.0 N N20 1 0.21754400 0.68300100 0.77373000 1.0 N N21 1 0.58492700 0.32189000 0.95054200 1.0 N N22 1 0.82570500 0.06365100 0.45051900 1.0 N N23 1 0.29693200 0.24713700 0.73825800 1.0 N N24 1 0.77570300 0.31146200 0.22998900 1.0 N N25 1 0.19196500 0.92398800 0.03407100 1.0 N N26 1 0.74677600 0.51948900 0.01289600 1.0 N N27 1 0.43934500 0.71117400 0.51285900 1.0 N N28 1 0.81367100 0.29900000 0.72988400 1.0 N N29 1 0.50963700 0.49686600 0.23014600 1.0 N N30 1 0.99665900 0.96090800 0.27289500 1.0 N N31 1 0.02499400 0.79701200 0.46610800 1.0 O O32 1 0.99416800 0.03088400 0.73063000 1.0 O O33 1 0.49149400 0.50177700 0.77084800 1.0 O O34 1 0.18513500 0.69627200 0.27329700 1.0 O O35 1 0.42318500 0.68160800 0.04490500 1.0 O O36 1 0.69897500 0.75274200 0.26238000 1.0 O O37 1 0.17357000 0.93432800 0.55033500 1.0 O O38 1 0.45883800 0.00600700 0.76562700 1.0 O O39 1 0.53748700 0.98854200 0.23729700 1.0