# generated using pymatgen data_Al5(NiO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68074400 _cell_length_b 5.69702803 _cell_length_c 14.07997630 _cell_angle_alpha 89.20318576 _cell_angle_beta 91.75302270 _cell_angle_gamma 119.87218828 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al5(NiO4)3 _chemical_formula_sum 'Al10 Ni6 O24' _cell_volume 394.94826224 _cell_formula_units_Z 2 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 Al Al0 1 0.16113900 0.82885900 0.83378300 1.0 Al Al1 1 0.50075000 0.99946900 0.99924500 1.0 Al Al2 1 0.51691400 0.00843900 0.62326500 1.0 Al Al3 1 0.66008900 0.33237100 0.83393200 1.0 Al Al4 1 0.84444400 0.67269400 0.29353700 1.0 Al Al5 1 0.99853400 0.99944200 0.49982000 1.0 Al Al6 1 0.15644200 0.32713200 0.70223100 1.0 Al Al7 1 0.83373600 0.16875000 0.16797300 1.0 Al Al8 1 0.34249100 0.67239700 0.16842100 1.0 Al Al9 1 0.48372500 0.98948300 0.37716800 1.0 Ni Ni10 1 0.17409800 0.32785900 0.96473800 1.0 Ni Ni11 1 0.83152500 0.66455100 0.66320700 1.0 Ni Ni12 1 0.66076800 0.82902200 0.83014500 1.0 Ni Ni13 1 0.16917100 0.33410900 0.33641900 1.0 Ni Ni14 1 0.99901800 0.49964400 0.49889600 1.0 Ni Ni15 1 0.34166600 0.16859900 0.16704200 1.0 O O16 1 0.33528800 0.69897100 0.91462500 1.0 O O17 1 0.49487000 0.99788000 0.75440900 1.0 O O18 1 0.79772600 0.15974800 0.91367500 1.0 O O19 1 0.34783700 0.14608400 0.90551200 1.0 O O20 1 0.99005400 0.50308800 0.75142300 1.0 O O21 1 0.69775700 0.35580100 0.58527300 1.0 O O22 1 0.49863100 0.48638900 0.75057200 1.0 O O23 1 0.83053700 0.66655500 0.89409400 1.0 O O24 1 0.17540700 0.85671700 0.57866900 1.0 O O25 1 0.85914000 0.68172200 0.42017800 1.0 O O26 1 0.99870700 0.98026400 0.74816900 1.0 O O27 1 0.69770700 0.84643700 0.58485600 1.0 O O28 1 0.01095600 0.02086800 0.24830000 1.0 O O29 1 0.30202300 0.15285300 0.41513200 1.0 O O30 1 0.82593000 0.14470000 0.42143200 1.0 O O31 1 0.15039900 0.35274400 0.10165600 1.0 O O32 1 0.14263000 0.32078500 0.57671900 1.0 O O33 1 0.50042900 0.50560900 0.24679200 1.0 O O34 1 0.01210700 0.49443500 0.24958100 1.0 O O35 1 0.30169000 0.64295400 0.41516200 1.0 O O36 1 0.64469200 0.85991000 0.09262900 1.0 O O37 1 0.21247900 0.86014300 0.09055200 1.0 O O38 1 0.51600000 0.99016200 0.25018300 1.0 O O39 1 0.64301500 0.29148000 0.08961700 1.0