# generated using pymatgen data_AlCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41447980 _cell_length_b 5.41447980 _cell_length_c 11.55758800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999758 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCoO3 _chemical_formula_sum 'Al6 Co6 O18' _cell_volume 293.43460356 _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 0.66666700 0.33333300 0.24968500 1.0 Al Al1 1 0.33333300 0.66666700 0.74968500 1.0 Al Al2 1 0.66666700 0.33333300 0.74968500 1.0 Al Al3 1 0.33333300 0.66666700 0.24968500 1.0 Al Al4 1 0.00000000 0.00000000 0.76513700 1.0 Al Al5 1 0.00000000 0.00000000 0.26513700 1.0 Co Co6 1 0.67248900 0.00000000 0.50080000 1.0 Co Co7 1 0.67248900 0.67248900 0.00080000 1.0 Co Co8 1 0.00000000 0.32751100 0.00080000 1.0 Co Co9 1 0.00000000 0.67248900 0.50080000 1.0 Co Co10 1 0.32751100 0.32751100 0.50080000 1.0 Co Co11 1 0.32751100 0.00000000 0.00080000 1.0 O O12 1 0.66666700 0.33333300 0.02171100 1.0 O O13 1 0.33333300 0.66666700 0.52171100 1.0 O O14 1 0.66666700 0.33333300 0.52171100 1.0 O O15 1 0.33333300 0.66666700 0.02171100 1.0 O O16 1 0.00000000 0.00000000 0.94515600 1.0 O O17 1 0.00000000 0.00000000 0.44515600 1.0 O O18 1 0.37353500 0.00000000 0.82967800 1.0 O O19 1 0.37353500 0.37353500 0.32967800 1.0 O O20 1 0.00000000 0.62646500 0.32967800 1.0 O O21 1 0.00000000 0.37353500 0.82967800 1.0 O O22 1 0.62646500 0.62646500 0.82967800 1.0 O O23 1 0.62646500 0.00000000 0.32967800 1.0 O O24 1 0.31015500 0.00000000 0.17682700 1.0 O O25 1 0.31015500 0.31015500 0.67682700 1.0 O O26 1 0.00000000 0.68984500 0.67682700 1.0 O O27 1 0.00000000 0.31015500 0.17682700 1.0 O O28 1 0.68984500 0.68984500 0.17682700 1.0 O O29 1 0.68984500 0.00000000 0.67682700 1.0