# generated using pymatgen data_Zr2N2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86510800 _cell_length_b 8.87993602 _cell_length_c 8.88031519 _cell_angle_alpha 109.49253680 _cell_angle_beta 109.35391917 _cell_angle_gamma 109.51957377 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2N2O _chemical_formula_sum 'Zr16 N16 O8' _cell_volume 538.46144133 _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 0.50461000 0.50246400 0.49892600 1.0 Zr Zr1 1 0.79663300 0.82736100 0.95582300 1.0 Zr Zr2 1 0.18806000 0.46639100 0.78009300 1.0 Zr Zr3 1 0.82317700 0.03929200 0.70839600 1.0 Zr Zr4 1 0.95529400 0.70312100 0.75685000 1.0 Zr Zr5 1 0.46978400 0.21822900 0.75014100 1.0 Zr Zr6 1 0.28512800 0.82359900 0.46445900 1.0 Zr Zr7 1 0.99063700 0.47944900 0.01042500 1.0 Zr Zr8 1 0.00338400 0.00716400 0.49074900 1.0 Zr Zr9 1 0.49664800 0.01307800 0.99797500 1.0 Zr Zr10 1 0.72574800 0.18132600 0.53221200 1.0 Zr Zr11 1 0.02717000 0.27941100 0.25458900 1.0 Zr Zr12 1 0.53949700 0.79030400 0.24629500 1.0 Zr Zr13 1 0.83255600 0.54351600 0.21339300 1.0 Zr Zr14 1 0.18709200 0.97634900 0.28211200 1.0 Zr Zr15 1 0.19180300 0.16059500 0.04644200 1.0 N N16 1 0.02919500 0.98510500 0.74036000 1.0 N N17 1 0.70604700 0.67237500 0.27828800 1.0 N N18 1 0.49938300 0.96572400 0.77379500 1.0 N N19 1 0.08010700 0.31651100 0.45592900 1.0 N N20 1 0.01500500 0.50029300 0.72630000 1.0 N N21 1 0.32393400 0.31268200 0.22550900 1.0 N N22 1 0.99202900 0.50514000 0.27234200 1.0 N N23 1 0.06473900 0.29249100 0.98322400 1.0 N N24 1 0.31243300 0.04911200 0.95760200 1.0 N N25 1 0.91993400 0.68331300 0.54509000 1.0 N N26 1 0.69307700 0.92241100 0.53438500 1.0 N N27 1 0.50029400 0.02976300 0.22778400 1.0 N N28 1 0.48412600 0.21270800 0.02976700 1.0 N N29 1 0.28101300 0.31209800 0.73012000 1.0 N N30 1 0.79261000 0.25287300 0.23851000 1.0 N N31 1 0.95796100 0.00386000 0.26596400 1.0 O O32 1 0.20438100 0.75417400 0.76043400 1.0 O O33 1 0.52829200 0.80009300 0.96475800 1.0 O O34 1 0.29954800 0.07332700 0.46970500 1.0 O O35 1 0.67733400 0.93701400 0.04754900 1.0 O O36 1 0.74634100 0.47519500 0.48898300 1.0 O O37 1 0.93937100 0.71338600 0.01183200 1.0 O O38 1 0.68759100 0.69789100 0.77021000 1.0 O O39 1 0.24803200 0.52081200 0.51268000 1.0