# generated using pymatgen data_Zr2N2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87927400 _cell_length_b 8.87558432 _cell_length_c 8.88080171 _cell_angle_alpha 109.60125024 _cell_angle_beta 109.44376037 _cell_angle_gamma 109.35556690 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2N2O _chemical_formula_sum 'Zr16 N16 O8' _cell_volume 538.85667484 _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 0.71085000 0.17904500 0.03318000 1.0 Zr Zr1 1 0.99603700 0.99672500 0.99665500 1.0 Zr Zr2 1 0.04696700 0.79716800 0.24434500 1.0 Zr Zr3 1 0.48595900 0.98897000 0.50250000 1.0 Zr Zr4 1 0.51220100 0.50669700 0.98979400 1.0 Zr Zr5 1 0.46106700 0.71071600 0.75045500 1.0 Zr Zr6 1 0.30965100 0.01952900 0.72125600 1.0 Zr Zr7 1 0.33595200 0.55407500 0.21079500 1.0 Zr Zr8 1 0.77697200 0.81482300 0.46843700 1.0 Zr Zr9 1 0.20214100 0.17212700 0.54138200 1.0 Zr Zr10 1 0.68248900 0.96168800 0.29040700 1.0 Zr Zr11 1 0.68875800 0.47498500 0.77899700 1.0 Zr Zr12 1 0.99363500 0.48147700 0.50947200 1.0 Zr Zr13 1 0.97136200 0.22120700 0.74560600 1.0 Zr Zr14 1 0.54108800 0.29111400 0.25001700 1.0 Zr Zr15 1 0.28831700 0.82370900 0.95865700 1.0 N N16 1 0.20951300 0.67646300 0.27604500 1.0 N N17 1 0.99880200 0.03092400 0.22872100 1.0 N N18 1 0.49032900 0.50174500 0.27093000 1.0 N N19 1 0.18589900 0.69639200 0.77127500 1.0 N N20 1 0.51011700 0.49919000 0.72726200 1.0 N N21 1 0.25625800 0.48624800 0.48417600 1.0 N N22 1 0.55489900 0.28306800 0.98905700 1.0 N N23 1 0.81905500 0.30730200 0.22771900 1.0 N N24 1 0.99801700 0.96280700 0.77386700 1.0 N N25 1 0.02868900 0.80119200 0.96442400 1.0 N N26 1 0.42074300 0.68210100 0.54746600 1.0 N N27 1 0.69962900 0.74973300 0.76372000 1.0 N N28 1 0.53903400 0.99260300 0.73625900 1.0 N N29 1 0.81876500 0.05778800 0.95522100 1.0 N N30 1 0.19587600 0.92296800 0.53399700 1.0 N N31 1 0.77652800 0.31030400 0.73123000 1.0 O O32 1 0.81095800 0.07976000 0.46391600 1.0 O O33 1 0.17143600 0.93575500 0.05194000 1.0 O O34 1 0.46813900 0.01830500 0.25794900 1.0 O O35 1 0.58755000 0.32404900 0.45167200 1.0 O O36 1 0.28900700 0.24495100 0.24232000 1.0 O O37 1 0.97654800 0.20641500 0.03449400 1.0 O O38 1 0.75196800 0.52629100 0.50848700 1.0 O O39 1 0.43879500 0.70958900 0.01589700 1.0