# generated using pymatgen data_AlNiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56356300 _cell_length_b 4.88114805 _cell_length_c 8.00440309 _cell_angle_alpha 89.98369008 _cell_angle_beta 90.00054052 _cell_angle_gamma 90.00336501 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNiO3 _chemical_formula_sum 'Al4 Ni4 O12' _cell_volume 178.30148622 _cell_formula_units_Z 4 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 0.03195300 0.93292100 0.75011000 1.0 Al Al1 1 0.53195200 0.56710000 0.24995000 1.0 Al Al2 1 0.46801900 0.43289000 0.75005100 1.0 Al Al3 1 0.96802900 0.06708500 0.24988600 1.0 Ni Ni4 1 0.00008400 0.49984000 0.50005000 1.0 Ni Ni5 1 0.50009200 0.00001800 0.49997200 1.0 Ni Ni6 1 0.49999500 0.00007300 0.99999700 1.0 Ni Ni7 1 0.00004800 0.50007100 0.99998300 1.0 O O8 1 0.70341000 0.29166300 0.40320700 1.0 O O9 1 0.20347700 0.20828400 0.59690500 1.0 O O10 1 0.79661200 0.79166700 0.09679200 1.0 O O11 1 0.29653600 0.70830900 0.90308400 1.0 O O12 1 0.29656200 0.70829600 0.59679700 1.0 O O13 1 0.79648400 0.79174400 0.40309200 1.0 O O14 1 0.20335400 0.20835000 0.90321000 1.0 O O15 1 0.70341900 0.29169600 0.09691200 1.0 O O16 1 0.17179700 0.40369900 0.25007200 1.0 O O17 1 0.67177100 0.09629700 0.75026900 1.0 O O18 1 0.32821900 0.90369900 0.24973100 1.0 O O19 1 0.82818800 0.59629900 0.74992800 1.0