# generated using pymatgen data_Al5(NiO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67111780 _cell_length_b 5.67111780 _cell_length_c 13.86572625 _cell_angle_alpha 88.73475388 _cell_angle_beta 88.73475388 _cell_angle_gamma 61.32763411 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al5(NiO4)3 _chemical_formula_sum 'Al10 Ni6 O24' _cell_volume 391.13204669 _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 0.32520200 0.32520200 0.70889000 1.0 Al Al1 1 0.66626600 0.66626600 0.04723300 1.0 Al Al2 1 0.99388900 0.99388900 0.37534600 1.0 Al Al3 1 0.66071400 0.66071400 0.66106800 1.0 Al Al4 1 0.33928600 0.33928600 0.33893200 1.0 Al Al5 1 0.83822200 0.83822200 0.84116900 1.0 Al Al6 1 0.16177800 0.16177800 0.15883100 1.0 Al Al7 1 0.33373400 0.33373400 0.95276700 1.0 Al Al8 1 0.67479800 0.67479800 0.29111000 1.0 Al Al9 1 0.00611100 0.00611100 0.62465400 1.0 Ni Ni10 1 0.33129900 0.83296000 0.83619900 1.0 Ni Ni11 1 0.66870100 0.16704000 0.16380100 1.0 Ni Ni12 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni13 1 0.83296000 0.33129900 0.83619900 1.0 Ni Ni14 1 0.16704000 0.66870100 0.16380100 1.0 Ni Ni15 1 0.50000000 0.00000000 0.50000000 1.0 O O16 1 0.50499600 0.50499600 0.74827600 1.0 O O17 1 0.83633900 0.83633900 0.09261100 1.0 O O18 1 0.17046500 0.17046500 0.41106800 1.0 O O19 1 0.97299300 0.51693500 0.75352500 1.0 O O20 1 0.33181700 0.83987300 0.09307100 1.0 O O21 1 0.64930400 0.15715300 0.41029900 1.0 O O22 1 0.67466400 0.67466400 0.91694800 1.0 O O23 1 0.00872100 0.00872100 0.24515500 1.0 O O24 1 0.32193500 0.32193500 0.57953300 1.0 O O25 1 0.51693500 0.97299300 0.75352500 1.0 O O26 1 0.83987300 0.33181700 0.09307100 1.0 O O27 1 0.15715300 0.64930400 0.41029900 1.0 O O28 1 0.16012700 0.66818300 0.90692900 1.0 O O29 1 0.48306500 0.02700700 0.24647500 1.0 O O30 1 0.84284700 0.35069600 0.58970100 1.0 O O31 1 0.66818300 0.16012700 0.90692900 1.0 O O32 1 0.02700700 0.48306500 0.24647500 1.0 O O33 1 0.35069600 0.84284700 0.58970100 1.0 O O34 1 0.99127900 0.99127900 0.75484500 1.0 O O35 1 0.32533600 0.32533600 0.08305200 1.0 O O36 1 0.67806500 0.67806500 0.42046700 1.0 O O37 1 0.16366100 0.16366100 0.90738900 1.0 O O38 1 0.49500400 0.49500400 0.25172400 1.0 O O39 1 0.82953500 0.82953500 0.58893200 1.0