# generated using pymatgen data_Zr2N2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.85519100 _cell_length_b 8.87788563 _cell_length_c 8.87822387 _cell_angle_alpha 109.59402381 _cell_angle_beta 109.27203738 _cell_angle_gamma 109.42277575 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2N2O _chemical_formula_sum 'Zr16 N16 O8' _cell_volume 538.11653600 _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 0.97726000 0.72982900 0.24059900 1.0 Zr Zr1 1 0.47832100 0.97146400 0.51011300 1.0 Zr Zr2 1 0.81062800 0.03132200 0.22077900 1.0 Zr Zr3 1 0.28396600 0.82053300 0.95974700 1.0 Zr Zr4 1 0.18197100 0.47341800 0.28375000 1.0 Zr Zr5 1 0.78491000 0.82518900 0.46725400 1.0 Zr Zr6 1 0.52681100 0.52907600 0.98140400 1.0 Zr Zr7 1 0.98498300 0.97735300 0.01280900 1.0 Zr Zr8 1 0.53193800 0.78408300 0.75107400 1.0 Zr Zr9 1 0.46511500 0.20784500 0.25164300 1.0 Zr Zr10 1 0.00251300 0.51669800 0.49390700 1.0 Zr Zr11 1 0.22336000 0.18415600 0.53217700 1.0 Zr Zr12 1 0.70449900 0.17227000 0.03831700 1.0 Zr Zr13 1 0.82384400 0.54575900 0.71267800 1.0 Zr Zr14 1 0.16362900 0.94421300 0.79584500 1.0 Zr Zr15 1 0.03146100 0.27937000 0.75359500 1.0 N N16 1 0.23903200 0.51265800 0.01863800 1.0 N N17 1 0.50507900 0.03708800 0.72494200 1.0 N N18 1 0.68815700 0.94622900 0.54333600 1.0 N N19 1 0.69140700 0.91466300 0.03548000 1.0 N N20 1 0.19884000 0.74336100 0.26467600 1.0 N N21 1 0.93941900 0.71233000 0.51245300 1.0 N N22 1 0.30435100 0.07339300 0.96944200 1.0 N N23 1 0.71538800 0.68541700 0.77169000 1.0 N N24 1 0.68287900 0.69648400 0.27213100 1.0 N N25 1 0.97000500 0.01477900 0.75921800 1.0 N N26 1 0.92537700 0.68895900 0.04195200 1.0 N N27 1 0.32669400 0.06476600 0.45139900 1.0 N N28 1 0.50100200 0.96573900 0.27222200 1.0 N N29 1 0.75063200 0.47943400 0.98795800 1.0 N N30 1 0.98973700 0.50164100 0.77129800 1.0 N N31 1 0.52253000 0.79040500 0.46829000 1.0 O O32 1 0.48323100 0.20913600 0.53102600 1.0 O O33 1 0.01258700 0.50136600 0.22874100 1.0 O O34 1 0.08440200 0.32319600 0.95061900 1.0 O O35 1 0.31998300 0.31093000 0.72656800 1.0 O O36 1 0.03619500 0.98581600 0.24006100 1.0 O O37 1 0.27832200 0.31339700 0.22843800 1.0 O O38 1 0.06079100 0.28579900 0.48649200 1.0 O O39 1 0.79875100 0.25043600 0.73724100 1.0