# generated using pymatgen data_Li2Fe3NiO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.34200800 _cell_length_b 8.40373951 _cell_length_c 8.40998635 _cell_angle_alpha 89.81881340 _cell_angle_beta 89.88008735 _cell_angle_gamma 89.87975959 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Fe3NiO8 _chemical_formula_sum 'Li8 Fe12 Ni4 O32' _cell_volume 589.56867701 _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 0.87539900 0.12462200 0.62132300 1.0 Li Li1 1 0.75359900 0.25655700 0.25898800 1.0 Li Li2 1 0.25204400 0.24901700 0.75249800 1.0 Li Li3 1 0.12389100 0.37647200 0.12507000 1.0 Li Li4 1 0.62339300 0.62538200 0.37659500 1.0 Li Li5 1 0.75119500 0.75120000 0.75561100 1.0 Li Li6 1 0.25312200 0.75137300 0.25679500 1.0 Li Li7 1 0.37837900 0.87486400 0.87353400 1.0 Fe Fe8 1 0.62072700 0.12145100 0.87307800 1.0 Fe Fe9 1 0.37999300 0.12618700 0.12176200 1.0 Fe Fe10 1 0.12428800 0.12310900 0.37801300 1.0 Fe Fe11 1 0.87669100 0.37364200 0.87404200 1.0 Fe Fe12 1 0.62312300 0.37749000 0.61714700 1.0 Fe Fe13 1 0.37291300 0.38011900 0.37090000 1.0 Fe Fe14 1 0.87670700 0.61873700 0.12538700 1.0 Fe Fe15 1 0.12538400 0.62335400 0.87996000 1.0 Fe Fe16 1 0.37731600 0.62400800 0.62389900 1.0 Fe Fe17 1 0.62116200 0.87474300 0.12554400 1.0 Fe Fe18 1 0.87372500 0.87483700 0.37758100 1.0 Fe Fe19 1 0.12291700 0.87903000 0.62749600 1.0 Ni Ni20 1 0.49833600 0.00111000 0.50331100 1.0 Ni Ni21 1 0.50202600 0.50092700 0.99954400 1.0 Ni Ni22 1 0.99629000 0.49904800 0.49435300 1.0 Ni Ni23 1 0.99873600 0.00312200 0.99654300 1.0 O O24 1 0.12722100 0.09652900 0.62073500 1.0 O O25 1 0.90332300 0.11049600 0.36752000 1.0 O O26 1 0.60698800 0.12227900 0.11849000 1.0 O O27 1 0.39988200 0.12334400 0.88854900 1.0 O O28 1 0.15680400 0.11248500 0.12790800 1.0 O O29 1 0.35926300 0.13427700 0.36583000 1.0 O O30 1 0.62358900 0.14760700 0.63235200 1.0 O O31 1 0.84991500 0.13818100 0.87711900 1.0 O O32 1 0.13105100 0.34995300 0.37801900 1.0 O O33 1 0.37429600 0.36525200 0.13790900 1.0 O O34 1 0.63261300 0.36142400 0.85719600 1.0 O O35 1 0.84900700 0.37908100 0.63108700 1.0 O O36 1 0.61350900 0.37563900 0.40061400 1.0 O O37 1 0.39292600 0.38426700 0.61701100 1.0 O O38 1 0.10318300 0.38943700 0.86825100 1.0 O O39 1 0.87336800 0.40110500 0.11352300 1.0 O O40 1 0.37252200 0.61061200 0.40235100 1.0 O O41 1 0.61047400 0.60357900 0.62683800 1.0 O O42 1 0.87946100 0.61561300 0.89718900 1.0 O O43 1 0.10145800 0.62963100 0.11309400 1.0 O O44 1 0.36166400 0.62059900 0.85356300 1.0 O O45 1 0.13305500 0.64447000 0.63542500 1.0 O O46 1 0.87523600 0.63386100 0.34748800 1.0 O O47 1 0.64688600 0.63557100 0.12420200 1.0 O O48 1 0.35506800 0.85706500 0.62398600 1.0 O O49 1 0.12311000 0.86377500 0.85468100 1.0 O O50 1 0.85907700 0.85962500 0.12851500 1.0 O O51 1 0.63806100 0.87911500 0.35942000 1.0 O O52 1 0.89875400 0.87108000 0.61172400 1.0 O O53 1 0.11922800 0.89007700 0.39378100 1.0 O O54 1 0.40221500 0.88533400 0.12441900 1.0 O O55 1 0.62551700 0.89823800 0.89216000 1.0