# generated using pymatgen data_LiAlFeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90408400 _cell_length_b 9.33088500 _cell_length_c 10.37346400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlFeO4 _chemical_formula_sum 'Li4 Al4 Fe4 O16' _cell_volume 281.09674400 _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 Li Li0 1 0.25000000 0.10124100 0.61317200 1.0 Li Li1 1 0.75000000 0.39875900 0.11317200 1.0 Li Li2 1 0.25000000 0.60124100 0.88682800 1.0 Li Li3 1 0.75000000 0.89875900 0.38682800 1.0 Al Al4 1 0.25000000 0.01092400 0.12499100 1.0 Al Al5 1 0.75000000 0.48907600 0.62499100 1.0 Al Al6 1 0.25000000 0.51092400 0.37500900 1.0 Al Al7 1 0.75000000 0.98907600 0.87500900 1.0 Fe Fe8 1 0.75000000 0.23143500 0.34055300 1.0 Fe Fe9 1 0.25000000 0.26856500 0.84055300 1.0 Fe Fe10 1 0.75000000 0.73143500 0.15944700 1.0 Fe Fe11 1 0.25000000 0.76856500 0.65944700 1.0 O O12 1 0.25000000 0.09856400 0.95755100 1.0 O O13 1 0.25000000 0.13033200 0.42576000 1.0 O O14 1 0.75000000 0.10871600 0.19310100 1.0 O O15 1 0.75000000 0.14342200 0.75373200 1.0 O O16 1 0.25000000 0.35657800 0.25373200 1.0 O O17 1 0.25000000 0.39128400 0.69310100 1.0 O O18 1 0.75000000 0.36966800 0.92576000 1.0 O O19 1 0.75000000 0.40143600 0.45755100 1.0 O O20 1 0.25000000 0.59856400 0.54244900 1.0 O O21 1 0.25000000 0.63033200 0.07424000 1.0 O O22 1 0.75000000 0.60871600 0.30689900 1.0 O O23 1 0.75000000 0.64342200 0.74626800 1.0 O O24 1 0.25000000 0.85657800 0.24626800 1.0 O O25 1 0.25000000 0.89128400 0.80689900 1.0 O O26 1 0.75000000 0.86966800 0.57424000 1.0 O O27 1 0.75000000 0.90143600 0.04244900 1.0