# generated using pymatgen data_ZnCoNi2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.14305200 _cell_length_b 7.01884000 _cell_length_c 10.90062757 _cell_angle_alpha 71.05291492 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCoNi2O7 _chemical_formula_sum 'Zn8 Co8 Ni16 O56' _cell_volume 951.08872725 _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 Zn Zn0 1 0.48526900 0.94773600 0.78716100 1.0 Zn Zn1 1 0.85825100 0.69698400 0.92330700 1.0 Zn Zn2 1 0.35825100 0.30301600 0.57669300 1.0 Zn Zn3 1 0.14174900 0.30301600 0.07669300 1.0 Zn Zn4 1 0.64174900 0.69698400 0.42330700 1.0 Zn Zn5 1 0.01473100 0.94773600 0.28716100 1.0 Zn Zn6 1 0.51473100 0.05226400 0.21283900 1.0 Zn Zn7 1 0.98526900 0.05226400 0.71283900 1.0 Co Co8 1 0.68478400 0.37997700 0.06020700 1.0 Co Co9 1 0.18478400 0.62002300 0.43979300 1.0 Co Co10 1 0.31521600 0.62002300 0.93979300 1.0 Co Co11 1 0.81521600 0.37997700 0.56020700 1.0 Co Co12 1 0.77737500 0.02731500 0.24602100 1.0 Co Co13 1 0.27737500 0.97268500 0.25397900 1.0 Co Co14 1 0.22262500 0.97268500 0.75397900 1.0 Co Co15 1 0.72262500 0.02731500 0.74602100 1.0 Ni Ni16 1 0.87527200 0.16872200 0.96941800 1.0 Ni Ni17 1 0.00423700 0.59089600 0.67912800 1.0 Ni Ni18 1 0.49576300 0.59089600 0.17912800 1.0 Ni Ni19 1 0.99576300 0.40910400 0.32087200 1.0 Ni Ni20 1 0.72279000 0.52543500 0.76210800 1.0 Ni Ni21 1 0.22279000 0.47456500 0.73789200 1.0 Ni Ni22 1 0.27721000 0.47456500 0.23789200 1.0 Ni Ni23 1 0.77721000 0.52543500 0.26210800 1.0 Ni Ni24 1 0.50423700 0.40910400 0.82087200 1.0 Ni Ni25 1 0.15300800 0.12051300 0.45917200 1.0 Ni Ni26 1 0.65300800 0.87948700 0.04082800 1.0 Ni Ni27 1 0.84699200 0.87948700 0.54082800 1.0 Ni Ni28 1 0.37527200 0.83127800 0.53058200 1.0 Ni Ni29 1 0.62472800 0.16872200 0.46941800 1.0 Ni Ni30 1 0.12472800 0.83127800 0.03058200 1.0 Ni Ni31 1 0.34699200 0.12051300 0.95917200 1.0 O O32 1 0.03082800 0.32620400 0.94067300 1.0 O O33 1 0.53082800 0.67379600 0.55932700 1.0 O O34 1 0.96917200 0.67379600 0.05932700 1.0 O O35 1 0.46917200 0.32620400 0.44067300 1.0 O O36 1 0.84261400 0.00853700 0.86740100 1.0 O O37 1 0.34261400 0.99146300 0.63259900 1.0 O O38 1 0.15738600 0.99146300 0.13259900 1.0 O O39 1 0.65738600 0.00853700 0.36740100 1.0 O O40 1 0.88501400 0.00928800 0.14626100 1.0 O O41 1 0.38501400 0.99071200 0.35373900 1.0 O O42 1 0.11498600 0.99071200 0.85373900 1.0 O O43 1 0.61498600 0.00928800 0.64626100 1.0 O O44 1 0.27266400 0.36404300 0.92422500 1.0 O O45 1 0.77266400 0.63595700 0.57577500 1.0 O O46 1 0.72733600 0.63595700 0.07577500 1.0 O O47 1 0.22733600 0.36404300 0.42422500 1.0 O O48 1 0.37026200 0.98886100 0.13626600 1.0 O O49 1 0.87026200 0.01113900 0.36373400 1.0 O O50 1 0.62973800 0.01113900 0.86373400 1.0 O O51 1 0.12973800 0.98886100 0.63626600 1.0 O O52 1 0.32534400 0.90803300 0.89287200 1.0 O O53 1 0.43166400 0.64482100 0.84505700 1.0 O O54 1 0.82534400 0.09196700 0.60712800 1.0 O O55 1 0.17465600 0.90803300 0.39287200 1.0 O O56 1 0.46206200 0.25272700 0.72282600 1.0 O O57 1 0.96206200 0.74727300 0.77717400 1.0 O O58 1 0.53793800 0.74727300 0.27717400 1.0 O O59 1 0.03793800 0.25272700 0.22282600 1.0 O O60 1 0.47345900 0.20884900 0.96593600 1.0 O O61 1 0.97345900 0.79115100 0.53406400 1.0 O O62 1 0.52654100 0.79115100 0.03406400 1.0 O O63 1 0.02654100 0.20884900 0.46593600 1.0 O O64 1 0.92943500 0.59751000 0.17722700 1.0 O O65 1 0.42943500 0.40249000 0.32277300 1.0 O O66 1 0.07056500 0.40249000 0.82277300 1.0 O O67 1 0.57056500 0.59751000 0.67722700 1.0 O O68 1 0.77217900 0.29872300 0.20049200 1.0 O O69 1 0.27217900 0.70127700 0.29950800 1.0 O O70 1 0.22782100 0.70127700 0.79950800 1.0 O O71 1 0.72782100 0.29872300 0.70049200 1.0 O O72 1 0.69535200 0.41231600 0.44436700 1.0 O O73 1 0.19535200 0.58768400 0.05563300 1.0 O O74 1 0.30464800 0.58768400 0.55563300 1.0 O O75 1 0.80464800 0.41231600 0.94436700 1.0 O O76 1 0.74502600 0.77101100 0.28301900 1.0 O O77 1 0.24502600 0.22898900 0.21698100 1.0 O O78 1 0.25497400 0.22898900 0.71698100 1.0 O O79 1 0.75497400 0.77101100 0.78301900 1.0 O O80 1 0.87499000 0.45693900 0.40600800 1.0 O O81 1 0.37499000 0.54306100 0.09399200 1.0 O O82 1 0.12501000 0.54306100 0.59399200 1.0 O O83 1 0.62501000 0.45693900 0.90600800 1.0 O O84 1 0.06833600 0.64482100 0.34505700 1.0 O O85 1 0.56833600 0.35517900 0.15494300 1.0 O O86 1 0.93166400 0.35517900 0.65494300 1.0 O O87 1 0.67465600 0.09196700 0.10712800 1.0