# generated using pymatgen data_Li2NbNi3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87620765 _cell_length_b 5.87620765 _cell_length_c 9.63638900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999604 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2NbNi3O8 _chemical_formula_sum 'Li4 Nb2 Ni6 O16' _cell_volume 288.16367919 _cell_formula_units_Z 2 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 0.33333300 0.66666700 0.89391500 1.0 Li Li1 1 0.00000000 0.00000000 0.99241200 1.0 Li Li2 1 0.00000000 0.00000000 0.49241200 1.0 Li Li3 1 0.66666700 0.33333300 0.39391500 1.0 Nb Nb4 1 0.33333300 0.66666700 0.49612600 1.0 Nb Nb5 1 0.66666700 0.33333300 0.99612600 1.0 Ni Ni6 1 0.16852100 0.83147900 0.21540700 1.0 Ni Ni7 1 0.16852100 0.33704200 0.21540700 1.0 Ni Ni8 1 0.66295800 0.83147900 0.21540700 1.0 Ni Ni9 1 0.33704200 0.16852100 0.71540700 1.0 Ni Ni10 1 0.83147900 0.66295800 0.71540700 1.0 Ni Ni11 1 0.83147900 0.16852100 0.71540700 1.0 O O12 1 0.16389400 0.83610600 0.59262200 1.0 O O13 1 0.03414300 0.51707200 0.34240000 1.0 O O14 1 0.33333300 0.66666700 0.11818300 1.0 O O15 1 0.00000000 0.00000000 0.30254200 1.0 O O16 1 0.00000000 0.00000000 0.80254200 1.0 O O17 1 0.16389400 0.32778800 0.59262200 1.0 O O18 1 0.48292800 0.96585700 0.34240000 1.0 O O19 1 0.48292800 0.51707200 0.34240000 1.0 O O20 1 0.32778800 0.16389400 0.09262200 1.0 O O21 1 0.67221200 0.83610600 0.59262200 1.0 O O22 1 0.51707200 0.48292800 0.84240000 1.0 O O23 1 0.51707200 0.03414300 0.84240000 1.0 O O24 1 0.66666700 0.33333300 0.61818300 1.0 O O25 1 0.83610600 0.67221200 0.09262200 1.0 O O26 1 0.96585700 0.48292800 0.84240000 1.0 O O27 1 0.83610600 0.16389400 0.09262200 1.0