# generated using pymatgen data_Al2FeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.35845150 _cell_length_b 19.35845150 _cell_length_c 19.35845197 _cell_angle_alpha 17.30542905 _cell_angle_beta 17.30542905 _cell_angle_gamma 17.30543025 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2FeO4 _chemical_formula_sum 'Al16 Fe8 O32' _cell_volume 560.14935894 _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 0.37739100 0.37739100 0.87169400 1.0 Al Al1 1 0.37739100 0.87169400 0.37739100 1.0 Al Al2 1 0.25002300 0.25002300 0.25002300 1.0 Al Al3 1 0.12469400 0.12469400 0.62548100 1.0 Al Al4 1 0.87169400 0.37739100 0.37739100 1.0 Al Al5 1 0.12469400 0.62548100 0.12469400 1.0 Al Al6 1 0.99995500 0.99995500 0.99995500 1.0 Al Al7 1 0.87501200 0.87501200 0.37479300 1.0 Al Al8 1 0.62548100 0.12469400 0.12469400 1.0 Al Al9 1 0.87501200 0.37479300 0.87501200 1.0 Al Al10 1 0.12033200 0.62671200 0.62671200 1.0 Al Al11 1 0.74947000 0.74947000 0.74947000 1.0 Al Al12 1 0.62671200 0.62671200 0.12033100 1.0 Al Al13 1 0.37479300 0.87501200 0.87501200 1.0 Al Al14 1 0.62671200 0.12033200 0.62671200 1.0 Al Al15 1 0.15543800 0.15543800 0.15543800 1.0 Fe Fe16 1 0.84430900 0.84430900 0.84430900 1.0 Fe Fe17 1 0.50042500 0.50042500 0.50042500 1.0 Fe Fe18 1 0.59423800 0.59423800 0.59423800 1.0 Fe Fe19 1 0.34367800 0.34367800 0.34367800 1.0 Fe Fe20 1 0.09353200 0.09353200 0.09353200 1.0 Fe Fe21 1 0.90551900 0.90551900 0.90551900 1.0 Fe Fe22 1 0.65631200 0.65631200 0.65631200 1.0 Fe Fe23 1 0.40667200 0.40667200 0.40667200 1.0 O O24 1 0.67930800 0.21568600 0.67930800 1.0 O O25 1 0.67930800 0.67930800 0.21568600 1.0 O O26 1 0.55959700 0.55959700 0.55959700 1.0 O O27 1 0.21568600 0.67930800 0.67930800 1.0 O O28 1 0.41812600 0.98032500 0.41812600 1.0 O O29 1 0.51396100 0.08469500 0.08469500 1.0 O O30 1 0.18773700 0.18773700 0.18773700 1.0 O O31 1 0.30859800 0.30859800 0.30859800 1.0 O O32 1 0.41812600 0.41812600 0.98032500 1.0 O O33 1 0.08469500 0.08469500 0.51396100 1.0 O O34 1 0.08469500 0.51396100 0.08469500 1.0 O O35 1 0.98032500 0.41812600 0.41812600 1.0 O O36 1 0.16800200 0.73000900 0.16800200 1.0 O O37 1 0.26972100 0.83183100 0.83183100 1.0 O O38 1 0.94111600 0.94111600 0.94111600 1.0 O O39 1 0.16800200 0.16800200 0.73000900 1.0 O O40 1 0.05843300 0.05843300 0.05843300 1.0 O O41 1 0.83183100 0.83183100 0.26972100 1.0 O O42 1 0.73000900 0.16800200 0.16800200 1.0 O O43 1 0.83183100 0.26972100 0.83183100 1.0 O O44 1 0.91634700 0.48234000 0.91634700 1.0 O O45 1 0.02010700 0.58153900 0.58153900 1.0 O O46 1 0.69134300 0.69134300 0.69134300 1.0 O O47 1 0.91634700 0.91634700 0.48234000 1.0 O O48 1 0.80880100 0.80880100 0.80880100 1.0 O O49 1 0.58153900 0.58153900 0.02010700 1.0 O O50 1 0.48234000 0.91634700 0.91634700 1.0 O O51 1 0.58153900 0.02010700 0.58153900 1.0 O O52 1 0.80884900 0.31065800 0.31065800 1.0 O O53 1 0.44287600 0.44287600 0.44287600 1.0 O O54 1 0.31065800 0.31065800 0.80884900 1.0 O O55 1 0.31065800 0.80884900 0.31065800 1.0