# generated using pymatgen data_AlCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29084554 _cell_length_b 5.54518829 _cell_length_c 11.85510791 _cell_angle_alpha 89.68621860 _cell_angle_beta 90.13927045 _cell_angle_gamma 120.12354714 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCoO3 _chemical_formula_sum 'Al6 Co6 O18' _cell_volume 300.83541598 _cell_formula_units_Z 6 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 0.66857900 0.33295000 0.25281400 1.0 Al Al1 1 0.33488100 0.69607100 0.75950200 1.0 Al Al2 1 0.66565000 0.33523300 0.75046300 1.0 Al Al3 1 0.33899500 0.66254300 0.25406200 1.0 Al Al4 1 0.99470200 0.99610600 0.75026000 1.0 Al Al5 1 0.99809100 0.99176500 0.25241400 1.0 Co Co6 1 0.66741400 0.00115700 0.49950800 1.0 Co Co7 1 0.63101400 0.64405300 0.00082600 1.0 Co Co8 1 0.02828700 0.33511500 0.00167600 1.0 Co Co9 1 0.01046700 0.66909700 0.50258100 1.0 Co Co10 1 0.33372700 0.32534500 0.50557000 1.0 Co Co11 1 0.33129300 0.03115300 0.00711700 1.0 O O12 1 0.67521800 0.34653200 0.99908500 1.0 O O13 1 0.35491500 0.65763700 0.50663400 1.0 O O14 1 0.68597100 0.32567500 0.49600600 1.0 O O15 1 0.30369200 0.68774400 0.00260600 1.0 O O16 1 0.95966000 0.99652900 0.99809400 1.0 O O17 1 0.00858100 0.98204900 0.49565300 1.0 O O18 1 0.32636200 0.01292900 0.82848000 1.0 O O19 1 0.33442600 0.32982200 0.33627600 1.0 O O20 1 0.00819700 0.65433600 0.32425800 1.0 O O21 1 0.01617500 0.34503300 0.83084400 1.0 O O22 1 0.64647400 0.65947000 0.82329800 1.0 O O23 1 0.67106000 0.99488600 0.32405200 1.0 O O24 1 0.33200500 0.02068200 0.17703200 1.0 O O25 1 0.32788800 0.30072100 0.66434300 1.0 O O26 1 0.00091700 0.66030700 0.67846800 1.0 O O27 1 0.01181800 0.33314600 0.17184700 1.0 O O28 1 0.65874500 0.66079200 0.17669300 1.0 O O29 1 0.67479500 0.01112100 0.67954000 1.0