# generated using pymatgen data_Zr2N2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.85381900 _cell_length_b 8.87996651 _cell_length_c 8.88360714 _cell_angle_alpha 109.53115587 _cell_angle_beta 109.26607430 _cell_angle_gamma 109.51897006 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2N2O _chemical_formula_sum 'Zr16 N16 O8' _cell_volume 538.30507586 _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 0.51017900 0.49741200 0.50073200 1.0 Zr Zr1 1 0.28392500 0.83091100 0.46392800 1.0 Zr Zr2 1 0.97220200 0.22206200 0.24929700 1.0 Zr Zr3 1 0.46529100 0.70894700 0.24964600 1.0 Zr Zr4 1 0.22448500 0.17658000 0.03456500 1.0 Zr Zr5 1 0.68228400 0.45688200 0.28548900 1.0 Zr Zr6 1 0.67255900 0.96237800 0.78493100 1.0 Zr Zr7 1 0.32036600 0.53701900 0.71343400 1.0 Zr Zr8 1 0.00029300 0.51255900 0.99527900 1.0 Zr Zr9 1 0.50015500 0.99905200 0.00031800 1.0 Zr Zr10 1 0.32119400 0.04580400 0.21210700 1.0 Zr Zr11 1 0.01782800 0.01729500 0.49091300 1.0 Zr Zr12 1 0.78075100 0.82081000 0.96869100 1.0 Zr Zr13 1 0.03829000 0.78311300 0.75060500 1.0 Zr Zr14 1 0.52815300 0.28132000 0.75016500 1.0 Zr Zr15 1 0.70150400 0.16357200 0.54230800 1.0 N N16 1 0.30140600 0.25941900 0.73370900 1.0 N N17 1 0.99544500 0.96582100 0.27208500 1.0 N N18 1 0.80264000 0.07880300 0.96833000 1.0 N N19 1 0.42556000 0.68849600 0.03965100 1.0 N N20 1 0.01811600 0.78688000 0.46996900 1.0 N N21 1 0.78053100 0.30792400 0.22985600 1.0 N N22 1 0.98074900 0.20776800 0.53347800 1.0 N N23 1 0.51223500 0.50000500 0.22830400 1.0 N N24 1 0.45945000 0.00198500 0.76842900 1.0 N N25 1 0.19738800 0.92789000 0.03062800 1.0 N N26 1 0.57650800 0.31479900 0.95586700 1.0 N N27 1 0.74526000 0.51847700 0.01453100 1.0 N N28 1 0.21436500 0.68092500 0.77416700 1.0 N N29 1 0.81180100 0.04913600 0.45732100 1.0 N N30 1 0.17776900 0.93652100 0.54840900 1.0 N N31 1 0.56437900 0.29431600 0.48540100 1.0 O O32 1 0.69817000 0.75125700 0.26357400 1.0 O O33 1 0.82581100 0.30799500 0.72642500 1.0 O O34 1 0.42542500 0.70078100 0.51835900 1.0 O O35 1 0.48060600 0.49843100 0.77645900 1.0 O O36 1 0.26043000 0.48324900 0.98055700 1.0 O O37 1 0.18680200 0.69598900 0.27055600 1.0 O O38 1 0.53570200 0.98780800 0.23662100 1.0 O O39 1 0.00399500 0.03961300 0.72490500 1.0