# generated using pymatgen data_Al2CoO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.21729334 _cell_length_b 19.21729334 _cell_length_c 19.21729366 _cell_angle_alpha 17.29442570 _cell_angle_beta 17.29442570 _cell_angle_gamma 17.29442593 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CoO4 _chemical_formula_sum 'Al16 Co8 O32' _cell_volume 547.30436697 _cell_formula_units_Z 8 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 0.31127700 0.31127700 0.31127700 1.0 Al Al1 1 0.27439600 0.78473000 0.78473000 1.0 Al Al2 1 0.78473000 0.78473000 0.27439600 1.0 Al Al3 1 0.56209900 0.56209900 0.56209900 1.0 Al Al4 1 0.78473000 0.27439600 0.78473000 1.0 Al Al5 1 0.52760700 0.03292500 0.03292500 1.0 Al Al6 1 0.03292500 0.03292500 0.52760700 1.0 Al Al7 1 0.03292500 0.52760700 0.03292500 1.0 Al Al8 1 0.78071600 0.28117000 0.28117000 1.0 Al Al9 1 0.28117000 0.28117000 0.78071600 1.0 Al Al10 1 0.15589900 0.15589900 0.15589900 1.0 Al Al11 1 0.28117000 0.78071600 0.28117000 1.0 Al Al12 1 0.02736800 0.53342500 0.53342500 1.0 Al Al13 1 0.53342500 0.53342500 0.02736800 1.0 Al Al14 1 0.40611800 0.40611800 0.40611800 1.0 Al Al15 1 0.53342500 0.02736800 0.53342500 1.0 Co Co16 1 0.00084900 0.00084900 0.00084900 1.0 Co Co17 1 0.65702000 0.65702000 0.65702000 1.0 Co Co18 1 0.25052700 0.25052700 0.25052700 1.0 Co Co19 1 0.90649400 0.90649400 0.90649400 1.0 Co Co20 1 0.81284600 0.81284600 0.81284600 1.0 Co Co21 1 0.49984300 0.49984300 0.49984300 1.0 Co Co22 1 0.06162400 0.06162400 0.06162400 1.0 Co Co23 1 0.75021800 0.75021800 0.75021800 1.0 O O24 1 0.47205800 0.95533900 0.47205800 1.0 O O25 1 0.47205800 0.47205800 0.95533900 1.0 O O26 1 0.59513400 0.59513400 0.59513400 1.0 O O27 1 0.95533900 0.47205800 0.47205800 1.0 O O28 1 0.62366700 0.08320600 0.08320600 1.0 O O29 1 0.71757000 0.21425000 0.71757000 1.0 O O30 1 0.71757000 0.71757000 0.21425000 1.0 O O31 1 0.96593500 0.96593500 0.96593500 1.0 O O32 1 0.84859800 0.84859800 0.84859800 1.0 O O33 1 0.08320600 0.08320600 0.62366700 1.0 O O34 1 0.21425000 0.71757000 0.71757000 1.0 O O35 1 0.08320600 0.62366700 0.08320600 1.0 O O36 1 0.88503500 0.32437200 0.32437200 1.0 O O37 1 0.98627500 0.42989400 0.98627500 1.0 O O38 1 0.98627500 0.98627500 0.42989400 1.0 O O39 1 0.32437200 0.32437200 0.88503500 1.0 O O40 1 0.21524600 0.21524600 0.21524600 1.0 O O41 1 0.09709000 0.09709000 0.09709000 1.0 O O42 1 0.42989400 0.98627500 0.98627500 1.0 O O43 1 0.32437200 0.88503500 0.32437200 1.0 O O44 1 0.13405100 0.57545000 0.57545000 1.0 O O45 1 0.23911700 0.67376300 0.23911700 1.0 O O46 1 0.23911700 0.23911700 0.67376300 1.0 O O47 1 0.34384300 0.34384300 0.34384300 1.0 O O48 1 0.46512800 0.46512800 0.46512800 1.0 O O49 1 0.57545000 0.57545000 0.13405100 1.0 O O50 1 0.67376300 0.23911700 0.23911700 1.0 O O51 1 0.57545000 0.13405100 0.57545000 1.0 O O52 1 0.37273300 0.83445000 0.83445000 1.0 O O53 1 0.83445000 0.83445000 0.37273300 1.0 O O54 1 0.71589600 0.71589600 0.71589600 1.0 O O55 1 0.83445000 0.37273300 0.83445000 1.0