# generated using pymatgen data_LiAlFeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70518800 _cell_length_b 5.70517600 _cell_length_c 8.44437100 _cell_angle_alpha 89.99978775 _cell_angle_beta 89.99984502 _cell_angle_gamma 90.00018077 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlFeO4 _chemical_formula_sum 'Li4 Al4 Fe4 O16' _cell_volume 274.85669007 _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 0.00000400 0.23328300 0.99999700 1.0 Li Li1 1 0.00000100 0.76671300 0.49999900 1.0 Li Li2 1 0.23330000 0.00000000 0.24999900 1.0 Li Li3 1 0.76671100 0.00000100 0.75000000 1.0 Al Al4 1 0.26311800 0.26312700 0.62499800 1.0 Al Al5 1 0.26311700 0.73688000 0.87500100 1.0 Al Al6 1 0.73686400 0.26312800 0.37500000 1.0 Al Al7 1 0.73686700 0.73688000 0.12500100 1.0 Fe Fe8 1 0.23203800 0.50000200 0.25002000 1.0 Fe Fe9 1 0.49999500 0.23199200 0.00002300 1.0 Fe Fe10 1 0.49999600 0.76797300 0.49998800 1.0 Fe Fe11 1 0.76801100 0.50001600 0.74997700 1.0 O O12 1 0.00172800 0.26496600 0.26066500 1.0 O O13 1 0.00172600 0.73503500 0.23933800 1.0 O O14 1 0.26497200 0.00173100 0.98933900 1.0 O O15 1 0.26497100 0.99826700 0.51066000 1.0 O O16 1 0.26432400 0.48601400 0.00649600 1.0 O O17 1 0.26432000 0.51398500 0.49350800 1.0 O O18 1 0.48601200 0.26432200 0.24350700 1.0 O O19 1 0.48601100 0.73567700 0.25649400 1.0 O O20 1 0.51398500 0.26432400 0.75649600 1.0 O O21 1 0.51398300 0.73568000 0.74350400 1.0 O O22 1 0.73567500 0.51398800 0.50649200 1.0 O O23 1 0.73567900 0.48601200 0.99350300 1.0 O O24 1 0.73503000 0.00173400 0.01066200 1.0 O O25 1 0.73503000 0.99826500 0.48933700 1.0 O O26 1 0.99826400 0.26497100 0.73933500 1.0 O O27 1 0.99826800 0.73503200 0.76066300 1.0