# generated using pymatgen data_LiFeCoO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85516300 _cell_length_b 5.85516300 _cell_length_c 8.12284200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFeCoO4 _chemical_formula_sum 'Li4 Fe4 Co4 O16' _cell_volume 278.47485420 _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 0.00000000 0.23673800 0.00000000 1.0 Li Li1 1 0.00000000 0.76326200 0.50000000 1.0 Li Li2 1 0.23673800 0.00000000 0.25000000 1.0 Li Li3 1 0.76326200 0.00000000 0.75000000 1.0 Fe Fe4 1 0.25389100 0.25389100 0.62500000 1.0 Fe Fe5 1 0.25389100 0.74610900 0.87500000 1.0 Fe Fe6 1 0.74610900 0.25389100 0.37500000 1.0 Fe Fe7 1 0.74610900 0.74610900 0.12500000 1.0 Co Co8 1 0.24062200 0.50000000 0.25000000 1.0 Co Co9 1 0.50000000 0.24062200 0.00000000 1.0 Co Co10 1 0.50000000 0.75937800 0.50000000 1.0 Co Co11 1 0.75937800 0.50000000 0.75000000 1.0 O O12 1 0.02019200 0.27044500 0.25715100 1.0 O O13 1 0.02019200 0.72955500 0.24284900 1.0 O O14 1 0.27044500 0.02019200 0.99284900 1.0 O O15 1 0.27044500 0.97980800 0.50715100 1.0 O O16 1 0.26587700 0.48146300 0.01921200 1.0 O O17 1 0.26587700 0.51853700 0.48078800 1.0 O O18 1 0.48146300 0.26587700 0.23078800 1.0 O O19 1 0.48146300 0.73412300 0.26921200 1.0 O O20 1 0.51853700 0.26587700 0.76921200 1.0 O O21 1 0.51853700 0.73412300 0.73078800 1.0 O O22 1 0.73412300 0.51853700 0.51921200 1.0 O O23 1 0.73412300 0.48146300 0.98078800 1.0 O O24 1 0.72955500 0.02019200 0.00715100 1.0 O O25 1 0.72955500 0.97980800 0.49284900 1.0 O O26 1 0.97980800 0.27044500 0.74284900 1.0 O O27 1 0.97980800 0.72955500 0.75715100 1.0