# generated using pymatgen data_Li2(NiO2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62118200 _cell_length_b 6.46716029 _cell_length_c 18.85606001 _cell_angle_alpha 85.91584846 _cell_angle_beta 86.03490423 _cell_angle_gamma 64.51873933 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2(NiO2)3 _chemical_formula_sum 'Li12 Ni18 O36' _cell_volume 616.66087586 _cell_formula_units_Z 6 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 0.57892400 0.16348400 0.33334300 1.0 Li Li1 1 0.70625400 0.40001900 0.44735800 1.0 Li Li2 1 0.75318900 0.49965700 0.00114400 1.0 Li Li3 1 0.00240100 0.06922000 0.78159200 1.0 Li Li4 1 0.09191400 0.16779300 0.33343300 1.0 Li Li5 1 0.16398100 0.26905900 0.88604300 1.0 Li Li6 1 0.90717900 0.83381500 0.66514200 1.0 Li Li7 1 0.96534700 0.93213000 0.21840300 1.0 Li Li8 1 0.24876400 0.50224900 0.99930200 1.0 Li Li9 1 0.29112300 0.59830000 0.55113900 1.0 Li Li10 1 0.37079500 0.73009500 0.11425300 1.0 Li Li11 1 0.42765700 0.83374500 0.66932400 1.0 Ni Ni12 1 0.55830000 0.10533900 0.55541100 1.0 Ni Ni13 1 0.61016200 0.21760600 0.11232900 1.0 Ni Ni14 1 0.66644900 0.33410300 0.66638900 1.0 Ni Ni15 1 0.72036000 0.45205500 0.22076400 1.0 Ni Ni16 1 0.05407800 0.11751400 0.55407400 1.0 Ni Ni17 1 0.77415000 0.56286600 0.77806500 1.0 Ni Ni18 1 0.83439800 0.66508700 0.33364500 1.0 Ni Ni19 1 0.10448100 0.22784700 0.11038200 1.0 Ni Ni20 1 0.16767900 0.33075400 0.66778200 1.0 Ni Ni21 1 0.88984000 0.78277200 0.88794900 1.0 Ni Ni22 1 0.94405600 0.88428300 0.44567000 1.0 Ni Ni23 1 0.22637400 0.44018800 0.22186200 1.0 Ni Ni24 1 0.28027100 0.55081400 0.77944100 1.0 Ni Ni25 1 0.33377600 0.66710800 0.33322200 1.0 Ni Ni26 1 0.39299200 0.77408600 0.88948300 1.0 Ni Ni27 1 0.43793900 0.89610500 0.44468700 1.0 Ni Ni28 1 0.49809800 0.99841200 0.00185400 1.0 Ni Ni29 1 0.00006000 0.00081700 0.99939600 1.0 O O30 1 0.96761900 0.00767900 0.11094800 1.0 O O31 1 0.46244300 0.00693400 0.10337100 1.0 O O32 1 0.58621200 0.10818600 0.45223400 1.0 O O33 1 0.52811000 0.99372600 0.89983400 1.0 O O34 1 0.54232100 0.08823000 0.65327900 1.0 O O35 1 0.63045800 0.22431500 0.01243700 1.0 O O36 1 0.58488600 0.22225300 0.21300800 1.0 O O37 1 0.74079300 0.43823300 0.11247600 1.0 O O38 1 0.68708800 0.32787300 0.55885700 1.0 O O39 1 0.69048700 0.44789800 0.33300800 1.0 O O40 1 0.64632700 0.34267000 0.77147700 1.0 O O41 1 0.07773000 0.10565500 0.44501400 1.0 O O42 1 0.03823900 0.99409900 0.88964000 1.0 O O43 1 0.79667300 0.57662600 0.68014300 1.0 O O44 1 0.02385700 0.11728100 0.66773600 1.0 O O45 1 0.75510300 0.56397100 0.88124900 1.0 O O46 1 0.11271700 0.23498200 0.99986000 1.0 O O47 1 0.87719000 0.66039700 0.23148100 1.0 O O48 1 0.07002200 0.23491500 0.22176500 1.0 O O49 1 0.79200700 0.67641900 0.43658700 1.0 O O50 1 0.91539500 0.77970800 0.78610400 1.0 O O51 1 0.25505800 0.43939600 0.11848900 1.0 O O52 1 0.88722900 0.76686900 0.98790400 1.0 O O53 1 0.20624600 0.32348600 0.56153600 1.0 O O54 1 0.97367500 0.88441300 0.33290700 1.0 O O55 1 0.22663600 0.42487500 0.31973600 1.0 O O56 1 0.92016000 0.89693000 0.55479600 1.0 O O57 1 0.12679700 0.34252500 0.77612200 1.0 O O58 1 0.31031800 0.54602600 0.66638000 1.0 O O59 1 0.23902500 0.56269100 0.88734100 1.0 O O60 1 0.36043400 0.66005100 0.22173600 1.0 O O61 1 0.36452700 0.77373800 0.00151000 1.0 O O62 1 0.30959900 0.67355900 0.44379300 1.0 O O63 1 0.41392000 0.76963500 0.77862000 1.0 O O64 1 0.44843600 0.90641300 0.34611900 1.0 O O65 1 0.41278300 0.89421800 0.54673300 1.0