# generated using pymatgen data_Li2(NiO2)21 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42776300 _cell_length_b 7.57462531 _cell_length_c 13.79598136 _cell_angle_alpha 85.38120560 _cell_angle_beta 101.16922898 _cell_angle_gamma 114.61458431 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2(NiO2)21 _chemical_formula_sum 'Li2 Ni21 O42' _cell_volume 692.29803995 _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 0.59505600 0.52394900 0.73805400 1.0 Li Li1 1 0.40494400 0.47605100 0.26194600 1.0 Ni Ni2 1 0.76237900 0.69155000 0.40643800 1.0 Ni Ni3 1 0.66586700 0.16795600 0.16654800 1.0 Ni Ni4 1 0.42721900 0.35448100 0.06970800 1.0 Ni Ni5 1 0.57278100 0.64551900 0.93029200 1.0 Ni Ni6 1 0.33413300 0.83204400 0.83345200 1.0 Ni Ni7 1 0.09512900 0.02375000 0.73794900 1.0 Ni Ni8 1 0.47610400 0.11760400 0.68892900 1.0 Ni Ni9 1 0.23762100 0.30845000 0.59356200 1.0 Ni Ni10 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni11 1 0.38278900 0.59874400 0.45446300 1.0 Ni Ni12 1 0.14308400 0.78416300 0.35748400 1.0 Ni Ni13 1 0.90487100 0.97625000 0.26205100 1.0 Ni Ni14 1 0.28570000 0.06988600 0.21288500 1.0 Ni Ni15 1 0.04744500 0.26093900 0.11723300 1.0 Ni Ni16 1 0.80863900 0.45120200 0.02335100 1.0 Ni Ni17 1 0.19136100 0.54879800 0.97664900 1.0 Ni Ni18 1 0.95255500 0.73906100 0.88276700 1.0 Ni Ni19 1 0.71430000 0.93011400 0.78711500 1.0 Ni Ni20 1 0.85691600 0.21583700 0.64251600 1.0 Ni Ni21 1 0.61721100 0.40125600 0.54553700 1.0 Ni Ni22 1 0.52389600 0.88239600 0.31107100 1.0 O O23 1 0.00120200 0.09135000 0.60428200 1.0 O O24 1 0.90772800 0.56196100 0.37113800 1.0 O O25 1 0.65482200 0.73888100 0.27933800 1.0 O O26 1 0.51723600 0.29733600 0.19948800 1.0 O O27 1 0.81085900 0.04381000 0.12804100 1.0 O O28 1 0.57530700 0.22789600 0.03626300 1.0 O O29 1 0.33804700 0.42075700 0.94128900 1.0 O O30 1 0.42469300 0.77210400 0.96373700 1.0 O O31 1 0.18914100 0.95619000 0.87195900 1.0 O O32 1 0.71628400 0.51575300 0.89404900 1.0 O O33 1 0.48276400 0.70266400 0.80051200 1.0 O O34 1 0.25014000 0.89191000 0.70359200 1.0 O O35 1 0.34517800 0.26111900 0.72066200 1.0 O O36 1 0.09227200 0.43803900 0.62886200 1.0 O O37 1 0.62510800 0.98833000 0.65678000 1.0 O O38 1 0.85295700 0.62603300 0.53564300 1.0 O O39 1 0.38338200 0.17772800 0.55891700 1.0 O O40 1 0.14704300 0.37396700 0.46435700 1.0 O O41 1 0.23377100 0.72426900 0.48748200 1.0 O O42 1 0.99879800 0.90865000 0.39571800 1.0 O O43 1 0.52535700 0.46816200 0.41697200 1.0 O O44 1 0.74986000 0.10809000 0.29640800 1.0 O O45 1 0.29267800 0.65471100 0.32484800 1.0 O O46 1 0.05971200 0.84457100 0.22728700 1.0 O O47 1 0.15485000 0.21406300 0.24436300 1.0 O O48 1 0.90112700 0.39104300 0.15185600 1.0 O O49 1 0.43474100 0.94087600 0.18067900 1.0 O O50 1 0.66195300 0.57924300 0.05871100 1.0 O O51 1 0.19311500 0.13075900 0.08279000 1.0 O O52 1 0.95537100 0.32484900 0.98789000 1.0 O O53 1 0.04462900 0.67515100 0.01211000 1.0 O O54 1 0.80688500 0.86924100 0.91721000 1.0 O O55 1 0.56525900 0.05912400 0.81932100 1.0 O O56 1 0.09887300 0.60895700 0.84814400 1.0 O O57 1 0.84515000 0.78593700 0.75563700 1.0 O O58 1 0.94028800 0.15542900 0.77271300 1.0 O O59 1 0.70732200 0.34528900 0.67515200 1.0 O O60 1 0.47464300 0.53183800 0.58302800 1.0 O O61 1 0.76622900 0.27573100 0.51251800 1.0 O O62 1 0.61661800 0.82227200 0.44108300 1.0 O O63 1 0.37489200 0.01167000 0.34322000 1.0 O O64 1 0.28371600 0.48424700 0.10595100 1.0