# generated using pymatgen data_Li2Fe2NiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04917329 _cell_length_b 5.04917329 _cell_length_c 10.15864300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.01673570 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Fe2NiO6 _chemical_formula_sum 'Li4 Fe4 Ni2 O12' _cell_volume 224.25060259 _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 0.15880400 0.65880400 0.25000000 1.0 Li Li1 1 0.34119600 0.84119600 0.75000000 1.0 Li Li2 1 0.65880400 0.15880400 0.25000000 1.0 Li Li3 1 0.84119600 0.34119600 0.75000000 1.0 Fe Fe4 1 0.33577000 0.66423000 0.00000000 1.0 Fe Fe5 1 0.16423000 0.83577000 0.50000000 1.0 Fe Fe6 1 0.83577000 0.16423000 0.50000000 1.0 Fe Fe7 1 0.66423000 0.33577000 0.00000000 1.0 Ni Ni8 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni9 1 0.00000000 0.00000000 0.00000000 1.0 O O10 1 0.14433100 0.50739200 0.60456200 1.0 O O11 1 0.85566900 0.49260800 0.39543800 1.0 O O12 1 0.00739200 0.64433100 0.89543800 1.0 O O13 1 0.35566900 0.99260800 0.10456200 1.0 O O14 1 0.64864300 0.64864300 0.09809900 1.0 O O15 1 0.85135700 0.85135700 0.59809900 1.0 O O16 1 0.14864300 0.14864300 0.40190100 1.0 O O17 1 0.49260800 0.85566900 0.39543800 1.0 O O18 1 0.35135700 0.35135700 0.90190100 1.0 O O19 1 0.64433100 0.00739200 0.89543800 1.0 O O20 1 0.99260800 0.35566900 0.10456200 1.0 O O21 1 0.50739200 0.14433100 0.60456200 1.0