# generated using pymatgen data_Li5(NiO2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.38222800 _cell_length_b 8.38222800 _cell_length_c 8.38222800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5(NiO2)4 _chemical_formula_sum 'Li20 Ni16 O32' _cell_volume 588.94997670 _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 0.05318700 0.05318700 0.05318700 1.0 Li Li1 1 0.13936300 0.37500000 0.38936300 1.0 Li Li2 1 0.12500000 0.61063700 0.63936300 1.0 Li Li3 1 0.11063700 0.86063700 0.87500000 1.0 Li Li4 1 0.19681300 0.19681300 0.19681300 1.0 Li Li5 1 0.30318700 0.80318700 0.69681300 1.0 Li Li6 1 0.38936300 0.13936300 0.37500000 1.0 Li Li7 1 0.37500000 0.38936300 0.13936300 1.0 Li Li8 1 0.36063700 0.62500000 0.88936300 1.0 Li Li9 1 0.44681300 0.94681300 0.55318700 1.0 Li Li10 1 0.55318700 0.44681300 0.94681300 1.0 Li Li11 1 0.63936300 0.12500000 0.61063700 1.0 Li Li12 1 0.62500000 0.88936300 0.36063700 1.0 Li Li13 1 0.61063700 0.63936300 0.12500000 1.0 Li Li14 1 0.69681300 0.30318700 0.80318700 1.0 Li Li15 1 0.80318700 0.69681300 0.30318700 1.0 Li Li16 1 0.88936300 0.36063700 0.62500000 1.0 Li Li17 1 0.87500000 0.11063700 0.86063700 1.0 Li Li18 1 0.86063700 0.87500000 0.11063700 1.0 Li Li19 1 0.94681300 0.55318700 0.44681300 1.0 Ni Ni20 1 0.12500000 0.87500000 0.37500000 1.0 Ni Ni21 1 0.37500000 0.12500000 0.87500000 1.0 Ni Ni22 1 0.62500000 0.62500000 0.62500000 1.0 Ni Ni23 1 0.87500000 0.37500000 0.12500000 1.0 Ni Ni24 1 0.12405800 0.12594200 0.62500000 1.0 Ni Ni25 1 0.12500000 0.37594200 0.87405800 1.0 Ni Ni26 1 0.12594200 0.62500000 0.12405800 1.0 Ni Ni27 1 0.37405800 0.37500000 0.62405800 1.0 Ni Ni28 1 0.37500000 0.62405800 0.37405800 1.0 Ni Ni29 1 0.37594200 0.87405800 0.12500000 1.0 Ni Ni30 1 0.62405800 0.37405800 0.37500000 1.0 Ni Ni31 1 0.62500000 0.12405800 0.12594200 1.0 Ni Ni32 1 0.62594200 0.87500000 0.87594200 1.0 Ni Ni33 1 0.87405800 0.12500000 0.37594200 1.0 Ni Ni34 1 0.87500000 0.87594200 0.62594200 1.0 Ni Ni35 1 0.87594200 0.62594200 0.87500000 1.0 O O36 1 0.11822500 0.11520900 0.38682800 1.0 O O37 1 0.11317200 0.88177500 0.61520900 1.0 O O38 1 0.12202600 0.62202600 0.87797400 1.0 O O39 1 0.13479100 0.13177500 0.86317200 1.0 O O40 1 0.11520900 0.38682800 0.11822500 1.0 O O41 1 0.12797400 0.37202600 0.62797400 1.0 O O42 1 0.13682800 0.63479100 0.36822500 1.0 O O43 1 0.13177500 0.86317200 0.13479100 1.0 O O44 1 0.36822500 0.13682800 0.63479100 1.0 O O45 1 0.36317200 0.36520900 0.86822500 1.0 O O46 1 0.37202600 0.62797400 0.12797400 1.0 O O47 1 0.38479100 0.61317200 0.61822500 1.0 O O48 1 0.36520900 0.86822500 0.36317200 1.0 O O49 1 0.37797400 0.37797400 0.37797400 1.0 O O50 1 0.38682800 0.11822500 0.11520900 1.0 O O51 1 0.38177500 0.88479100 0.88682800 1.0 O O52 1 0.61822500 0.38479100 0.61317200 1.0 O O53 1 0.61317200 0.61822500 0.38479100 1.0 O O54 1 0.62202600 0.87797400 0.12202600 1.0 O O55 1 0.63479100 0.36822500 0.13682800 1.0 O O56 1 0.61520900 0.11317200 0.88177500 1.0 O O57 1 0.62797400 0.12797400 0.37202600 1.0 O O58 1 0.63682800 0.86520900 0.63177500 1.0 O O59 1 0.63177500 0.63682800 0.86520900 1.0 O O60 1 0.86822500 0.36317200 0.36520900 1.0 O O61 1 0.86317200 0.13479100 0.13177500 1.0 O O62 1 0.87202600 0.87202600 0.87202600 1.0 O O63 1 0.88479100 0.88682800 0.38177500 1.0 O O64 1 0.86520900 0.63177500 0.63682800 1.0 O O65 1 0.87797400 0.12202600 0.62202600 1.0 O O66 1 0.88682800 0.38177500 0.88479100 1.0 O O67 1 0.88177500 0.61520900 0.11317200 1.0