# generated using pymatgen data_Li2Fe3NiO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.38819589 _cell_length_b 8.34529261 _cell_length_c 8.40217692 _cell_angle_alpha 90.10061293 _cell_angle_beta 90.15363345 _cell_angle_gamma 90.35163064 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Fe3NiO8 _chemical_formula_sum 'Li8 Fe12 Ni4 O32' _cell_volume 588.15464699 _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 0.12200400 0.87773500 0.37670900 1.0 Li Li1 1 0.25210800 0.75072900 0.74693900 1.0 Li Li2 1 0.24979500 0.25080100 0.24831000 1.0 Li Li3 1 0.37518300 0.12382000 0.87883400 1.0 Li Li4 1 0.62369100 0.62184200 0.62287700 1.0 Li Li5 1 0.75075300 0.75086700 0.24731600 1.0 Li Li6 1 0.75239400 0.24941000 0.74734000 1.0 Li Li7 1 0.87644400 0.37596000 0.12379800 1.0 Fe Fe8 1 0.11794400 0.62372700 0.12754400 1.0 Fe Fe9 1 0.12363900 0.37643900 0.87956800 1.0 Fe Fe10 1 0.12604800 0.12013500 0.62204400 1.0 Fe Fe11 1 0.37320600 0.88179400 0.12479800 1.0 Fe Fe12 1 0.37658400 0.62525300 0.38452400 1.0 Fe Fe13 1 0.38424500 0.37574200 0.62597300 1.0 Fe Fe14 1 0.61831500 0.87585900 0.87350000 1.0 Fe Fe15 1 0.62231400 0.12582600 0.11857800 1.0 Fe Fe16 1 0.62582700 0.38185100 0.37721900 1.0 Fe Fe17 1 0.87370200 0.61727800 0.87607700 1.0 Fe Fe18 1 0.87518400 0.87317600 0.61806400 1.0 Fe Fe19 1 0.88068300 0.12310300 0.37415700 1.0 Ni Ni20 1 0.99950600 0.49992000 0.50043600 1.0 Ni Ni21 1 0.49689100 0.50225700 0.00223600 1.0 Ni Ni22 1 0.49988700 0.99985900 0.50151000 1.0 Ni Ni23 1 0.99923700 0.00179400 0.00104500 1.0 O O24 1 0.10539600 0.12760400 0.38768400 1.0 O O25 1 0.10961500 0.89507100 0.62934000 1.0 O O26 1 0.11702500 0.60884500 0.88344300 1.0 O O27 1 0.12628300 0.38955200 0.10377600 1.0 O O28 1 0.12144600 0.14763800 0.86191900 1.0 O O29 1 0.13509500 0.36473100 0.63470800 1.0 O O30 1 0.13350800 0.61496700 0.36703000 1.0 O O31 1 0.13778300 0.85772000 0.12293900 1.0 O O32 1 0.36369600 0.13432400 0.61614900 1.0 O O33 1 0.35640900 0.37512500 0.85942200 1.0 O O34 1 0.35424100 0.63966200 0.14850400 1.0 O O35 1 0.38313900 0.86307600 0.36862000 1.0 O O36 1 0.37615800 0.61171100 0.60551500 1.0 O O37 1 0.38577700 0.38674300 0.38569800 1.0 O O38 1 0.38895400 0.10712100 0.12702000 1.0 O O39 1 0.39624000 0.87241500 0.88777900 1.0 O O40 1 0.60965200 0.37483100 0.60938400 1.0 O O41 1 0.61239400 0.60663500 0.37242300 1.0 O O42 1 0.61347500 0.88782400 0.11371200 1.0 O O43 1 0.62655800 0.10966600 0.89274600 1.0 O O44 1 0.62504000 0.35712900 0.13987900 1.0 O O45 1 0.63410500 0.13565700 0.36756200 1.0 O O46 1 0.63354600 0.88155900 0.63534500 1.0 O O47 1 0.64164400 0.63695500 0.87313100 1.0 O O48 1 0.86364400 0.36473800 0.38246200 1.0 O O49 1 0.85978900 0.12369600 0.14336900 1.0 O O50 1 0.85814300 0.86494100 0.86136200 1.0 O O51 1 0.88268000 0.63528900 0.63325300 1.0 O O52 1 0.87355200 0.89038500 0.39191700 1.0 O O53 1 0.88504200 0.11513100 0.60976000 1.0 O O54 1 0.89726000 0.38819500 0.87389800 1.0 O O55 1 0.89712900 0.62597000 0.11093000 1.0