# generated using pymatgen data_Li3(FeO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94352800 _cell_length_b 4.96100900 _cell_length_c 8.37632700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3(FeO3)2 _chemical_formula_sum 'Li6 Fe4 O12' _cell_volume 205.42847231 _cell_formula_units_Z 2 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 0.00000000 0.00000000 0.77394200 1.0 Li Li1 1 0.00000000 0.00000000 0.06934800 1.0 Li Li2 1 0.00000000 0.50000000 0.72077200 1.0 Li Li3 1 0.50000000 0.00000000 0.22077200 1.0 Li Li4 1 0.50000000 0.50000000 0.27394200 1.0 Li Li5 1 0.50000000 0.50000000 0.56934800 1.0 Fe Fe6 1 0.00000000 0.50000000 0.10147800 1.0 Fe Fe7 1 0.50000000 0.00000000 0.60147800 1.0 Fe Fe8 1 0.00000000 0.00000000 0.41325200 1.0 Fe Fe9 1 0.50000000 0.50000000 0.91325200 1.0 O O10 1 0.14926800 0.75790000 0.24751400 1.0 O O11 1 0.17105800 0.70515000 0.92721600 1.0 O O12 1 0.18539900 0.79302900 0.58671300 1.0 O O13 1 0.31460100 0.29302900 0.08671300 1.0 O O14 1 0.32894200 0.20515000 0.42721600 1.0 O O15 1 0.35073200 0.25790000 0.74751400 1.0 O O16 1 0.64926800 0.74210000 0.74751400 1.0 O O17 1 0.67105800 0.79485000 0.42721600 1.0 O O18 1 0.68539900 0.70697100 0.08671300 1.0 O O19 1 0.81460100 0.20697100 0.58671300 1.0 O O20 1 0.82894200 0.29485000 0.92721600 1.0 O O21 1 0.85073200 0.24210000 0.24751400 1.0