# generated using pymatgen data_Li3Fe(Ni2O5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86157800 _cell_length_b 5.04770100 _cell_length_c 24.26773246 _cell_angle_alpha 86.21119977 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Fe(Ni2O5)2 _chemical_formula_sum 'Li6 Fe2 Ni8 O20' _cell_volume 349.76647262 _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 0.50000000 0.70286900 0.39844900 1.0 Li Li1 1 0.50000000 0.90002000 0.80098600 1.0 Li Li2 1 0.50000000 0.09998000 0.19901400 1.0 Li Li3 1 0.50000000 0.50000000 0.00000000 1.0 Li Li4 1 0.50000000 0.29713100 0.60155100 1.0 Li Li5 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe6 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe7 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni8 1 0.50000000 0.20389300 0.89841900 1.0 Ni Ni9 1 0.50000000 0.40039600 0.29922300 1.0 Ni Ni10 1 0.50000000 0.59960400 0.70077700 1.0 Ni Ni11 1 0.50000000 0.79610700 0.10158100 1.0 Ni Ni12 1 0.00000000 0.90048500 0.29899500 1.0 Ni Ni13 1 0.00000000 0.09951500 0.70100500 1.0 Ni Ni14 1 0.00000000 0.29839100 0.09750800 1.0 Ni Ni15 1 0.00000000 0.70160900 0.90249200 1.0 O O16 1 0.50000000 0.97514800 0.65913600 1.0 O O17 1 0.50000000 0.02485200 0.34086400 1.0 O O18 1 0.50000000 0.16613600 0.05384400 1.0 O O19 1 0.50000000 0.22440500 0.74291400 1.0 O O20 1 0.50000000 0.35618500 0.45564500 1.0 O O21 1 0.50000000 0.41935900 0.13961600 1.0 O O22 1 0.50000000 0.58064100 0.86038400 1.0 O O23 1 0.50000000 0.64381500 0.54435500 1.0 O O24 1 0.50000000 0.77559500 0.25708600 1.0 O O25 1 0.50000000 0.83386400 0.94615600 1.0 O O26 1 0.00000000 0.97903400 0.14103500 1.0 O O27 1 0.00000000 0.02096600 0.85896500 1.0 O O28 1 0.00000000 0.16484700 0.54550400 1.0 O O29 1 0.00000000 0.23193700 0.25915500 1.0 O O30 1 0.00000000 0.36538300 0.94390700 1.0 O O31 1 0.00000000 0.43040500 0.66089700 1.0 O O32 1 0.00000000 0.56959500 0.33910300 1.0 O O33 1 0.00000000 0.63461700 0.05609300 1.0 O O34 1 0.00000000 0.76806300 0.74084500 1.0 O O35 1 0.00000000 0.83515300 0.45449600 1.0