# generated using pymatgen data_Li2Fe3NiO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84498391 _cell_length_b 5.95353003 _cell_length_c 9.60125564 _cell_angle_alpha 89.87741165 _cell_angle_beta 90.06243139 _cell_angle_gamma 120.61626098 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Fe3NiO8 _chemical_formula_sum 'Li4 Fe6 Ni2 O16' _cell_volume 287.53121476 _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 0.34125400 0.67077000 0.88868400 1.0 Li Li1 1 0.00873900 0.00351100 0.99924700 1.0 Li Li2 1 0.99126100 0.99477200 0.49924700 1.0 Li Li3 1 0.65874600 0.32951600 0.38868400 1.0 Fe Fe4 1 0.17013500 0.83115300 0.21585100 1.0 Fe Fe5 1 0.17092900 0.33935700 0.21533800 1.0 Fe Fe6 1 0.66190300 0.83149200 0.21234200 1.0 Fe Fe7 1 0.33809700 0.16958900 0.71234200 1.0 Fe Fe8 1 0.82986500 0.66101800 0.71585100 1.0 Fe Fe9 1 0.82907100 0.16842900 0.71533800 1.0 Ni Ni10 1 0.32668600 0.66365900 0.48925100 1.0 Ni Ni11 1 0.67331400 0.33697400 0.98925100 1.0 O O12 1 0.14103400 0.82451200 0.60268300 1.0 O O13 1 0.03345400 0.51492100 0.33040100 1.0 O O14 1 0.36307000 0.68233200 0.10179000 1.0 O O15 1 0.97316500 0.98641000 0.31421400 1.0 O O16 1 0.02683500 0.01324500 0.81421400 1.0 O O17 1 0.14488700 0.31511700 0.60278100 1.0 O O18 1 0.46744100 0.96100000 0.33610200 1.0 O O19 1 0.47220900 0.51200300 0.33468700 1.0 O O20 1 0.32748100 0.16510700 0.11054900 1.0 O O21 1 0.67251900 0.83762600 0.61054900 1.0 O O22 1 0.53255900 0.49355800 0.83610200 1.0 O O23 1 0.52779100 0.03979300 0.83468700 1.0 O O24 1 0.63693000 0.31926200 0.60179000 1.0 O O25 1 0.85896600 0.68347800 0.10268300 1.0 O O26 1 0.96654600 0.48146600 0.83040100 1.0 O O27 1 0.85511300 0.17022900 0.10278100 1.0