# generated using pymatgen data_Li3Ni5O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84478820 _cell_length_b 5.84478820 _cell_length_c 15.17843336 _cell_angle_alpha 73.45851420 _cell_angle_beta 73.45851420 _cell_angle_gamma 59.74613006 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ni5O8 _chemical_formula_sum 'Li9 Ni15 O24' _cell_volume 423.06646501 _cell_formula_units_Z 3 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 0.16522300 0.16522300 0.83360400 1.0 Li Li1 1 0.50000000 0.00000000 0.50000000 1.0 Li Li2 1 0.16364500 0.66951400 0.83318500 1.0 Li Li3 1 0.00000000 0.50000000 0.50000000 1.0 Li Li4 1 0.83477700 0.83477700 0.16639600 1.0 Li Li5 1 0.66951400 0.16364500 0.83318500 1.0 Li Li6 1 0.00000000 0.00000000 0.50000000 1.0 Li Li7 1 0.83635500 0.33048600 0.16681500 1.0 Li Li8 1 0.33048600 0.83635500 0.16681500 1.0 Ni Ni9 1 0.66756700 0.66756700 0.83334800 1.0 Ni Ni10 1 0.91588000 0.91588000 0.33371100 1.0 Ni Ni11 1 0.75171700 0.24828300 0.00000000 1.0 Ni Ni12 1 0.33243300 0.33243300 0.16665200 1.0 Ni Ni13 1 0.41598600 0.41598600 0.33373500 1.0 Ni Ni14 1 0.24828300 0.75171700 0.00000000 1.0 Ni Ni15 1 0.58401400 0.58401400 0.66626500 1.0 Ni Ni16 1 0.41575200 0.91615600 0.33374900 1.0 Ni Ni17 1 0.24978600 0.24978600 0.99816700 1.0 Ni Ni18 1 0.08412000 0.08412000 0.66628900 1.0 Ni Ni19 1 0.91615600 0.41575200 0.33374900 1.0 Ni Ni20 1 0.75021400 0.75021400 0.00183300 1.0 Ni Ni21 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni22 1 0.08384400 0.58424800 0.66625100 1.0 Ni Ni23 1 0.58424800 0.08384400 0.66625100 1.0 O O24 1 0.53757700 0.53757700 0.08001900 1.0 O O25 1 0.38046700 0.87187700 0.74867700 1.0 O O26 1 0.78554900 0.78554900 0.59412200 1.0 O O27 1 0.04375600 0.04375600 0.07437100 1.0 O O28 1 0.87187700 0.38046700 0.74867700 1.0 O O29 1 0.61953300 0.12812300 0.25132300 1.0 O O30 1 0.46242300 0.46242300 0.91998100 1.0 O O31 1 0.21445100 0.21445100 0.40587800 1.0 O O32 1 0.04918200 0.53530500 0.08156100 1.0 O O33 1 0.87281000 0.87281000 0.74785200 1.0 O O34 1 0.29233200 0.29233200 0.58599600 1.0 O O35 1 0.12812300 0.61953300 0.25132300 1.0 O O36 1 0.95624400 0.95624400 0.92562900 1.0 O O37 1 0.70766800 0.70766800 0.41400400 1.0 O O38 1 0.29271100 0.78576300 0.58613100 1.0 O O39 1 0.53530500 0.04918200 0.08156100 1.0 O O40 1 0.38014700 0.38014700 0.73988700 1.0 O O41 1 0.12719000 0.12719000 0.25214800 1.0 O O42 1 0.95081800 0.46469500 0.91843900 1.0 O O43 1 0.70728900 0.21423700 0.41386900 1.0 O O44 1 0.78576300 0.29271100 0.58613100 1.0 O O45 1 0.61985300 0.61985300 0.26011300 1.0 O O46 1 0.46469500 0.95081800 0.91843900 1.0 O O47 1 0.21423700 0.70728900 0.41386900 1.0