# generated using pymatgen data_Li4Nb3Fe2Ni3O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01042165 _cell_length_b 6.01042165 _cell_length_c 9.79581164 _cell_angle_alpha 89.16191950 _cell_angle_beta 89.16191950 _cell_angle_gamma 60.52030567 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Nb3Fe2Ni3O16 _chemical_formula_sum 'Li4 Nb3 Fe2 Ni3 O16' _cell_volume 308.01498687 _cell_formula_units_Z 1 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 0.33432700 0.33432700 0.88370200 1.0 Li Li1 1 0.02163400 0.02163400 0.98670500 1.0 Li Li2 1 0.00787800 0.00787800 0.50469600 1.0 Li Li3 1 0.66802300 0.66802300 0.40211400 1.0 Nb Nb4 1 0.66110800 0.16426900 0.21510200 1.0 Nb Nb5 1 0.16426900 0.66110800 0.21510200 1.0 Nb Nb6 1 0.82488800 0.82488800 0.71767700 1.0 Fe Fe7 1 0.32353200 0.32353200 0.51181600 1.0 Fe Fe8 1 0.64819100 0.64819100 0.97798100 1.0 Ni Ni9 1 0.17350700 0.17350700 0.21256900 1.0 Ni Ni10 1 0.83239600 0.34140700 0.71274200 1.0 Ni Ni11 1 0.34140700 0.83239600 0.71274200 1.0 O O12 1 0.66435000 0.14788700 0.59652500 1.0 O O13 1 0.48828600 0.48828600 0.32802900 1.0 O O14 1 0.34311900 0.34311900 0.09661300 1.0 O O15 1 0.99776700 0.99776700 0.31708800 1.0 O O16 1 0.00437900 0.00437900 0.80203800 1.0 O O17 1 0.14788700 0.66435000 0.59652500 1.0 O O18 1 0.48906100 0.03902600 0.34148000 1.0 O O19 1 0.03902600 0.48906100 0.34148000 1.0 O O20 1 0.84103400 0.84103400 0.10286900 1.0 O O21 1 0.16197900 0.16197900 0.60653200 1.0 O O22 1 0.96773500 0.52792600 0.84729200 1.0 O O23 1 0.52792600 0.96773500 0.84729200 1.0 O O24 1 0.66448200 0.66448200 0.60398100 1.0 O O25 1 0.82772000 0.32760100 0.09844800 1.0 O O26 1 0.52071200 0.52071200 0.82986000 1.0 O O27 1 0.32760100 0.82772000 0.09844800 1.0