# generated using pymatgen data_Li4Nb2Cr3Ni3O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92735200 _cell_length_b 5.93446495 _cell_length_c 9.65852779 _cell_angle_alpha 90.26550421 _cell_angle_beta 90.10343885 _cell_angle_gamma 119.77363985 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Nb2Cr3Ni3O16 _chemical_formula_sum 'Li4 Nb2 Cr3 Ni3 O16' _cell_volume 294.89025719 _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 0.32204100 0.66158000 0.89903800 1.0 Li Li1 1 0.00702600 0.00196400 0.98976500 1.0 Li Li2 1 0.00293800 0.99898300 0.49467600 1.0 Li Li3 1 0.66747800 0.33803400 0.39955500 1.0 Nb Nb4 1 0.33533100 0.66060000 0.49975400 1.0 Nb Nb5 1 0.68325900 0.34324400 0.99519200 1.0 Cr Cr6 1 0.18659500 0.84015900 0.22122200 1.0 Cr Cr7 1 0.17505200 0.34230200 0.21598400 1.0 Cr Cr8 1 0.34842400 0.17074800 0.72598800 1.0 Ni Ni9 1 0.66183300 0.82967000 0.21178800 1.0 Ni Ni10 1 0.82703900 0.65838200 0.71186500 1.0 Ni Ni11 1 0.82634800 0.16771700 0.71202600 1.0 O O12 1 0.17731900 0.83958600 0.59259200 1.0 O O13 1 0.03928000 0.52383700 0.33948900 1.0 O O14 1 0.30970900 0.66275600 0.10733700 1.0 O O15 1 0.01500200 0.00107400 0.30435700 1.0 O O16 1 0.01537500 0.00707600 0.79862000 1.0 O O17 1 0.17412900 0.33357100 0.59367700 1.0 O O18 1 0.47266900 0.96594000 0.33874200 1.0 O O19 1 0.47541400 0.51682100 0.34030300 1.0 O O20 1 0.33718300 0.16721900 0.09848700 1.0 O O21 1 0.67104300 0.83632100 0.58824600 1.0 O O22 1 0.49896400 0.46522500 0.84629600 1.0 O O23 1 0.49880200 0.03246600 0.84479500 1.0 O O24 1 0.63503700 0.31858400 0.60846600 1.0 O O25 1 0.84342700 0.67280900 0.09312100 1.0 O O26 1 0.95347100 0.47640900 0.84434000 1.0 O O27 1 0.83981000 0.16721900 0.09212100 1.0