# generated using pymatgen data_Li4Cr2Ni5O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87491600 _cell_length_b 4.98599800 _cell_length_c 9.74950889 _cell_angle_alpha 79.19886203 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Cr2Ni5O12 _chemical_formula_sum 'Li8 Cr4 Ni10 O24' _cell_volume 423.77560511 _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 0.91962300 0.00266500 0.74318200 1.0 Li Li1 1 0.92627400 0.49541200 0.25361400 1.0 Li Li2 1 0.58062500 0.75977100 0.50177200 1.0 Li Li3 1 0.57758700 0.49539000 0.25380600 1.0 Li Li4 1 0.41962300 0.99733500 0.25681800 1.0 Li Li5 1 0.42627400 0.50458800 0.74638600 1.0 Li Li6 1 0.08062500 0.24022900 0.49822800 1.0 Li Li7 1 0.07758700 0.50461000 0.74619400 1.0 Cr Cr8 1 0.74241700 0.25657900 0.50053800 1.0 Cr Cr9 1 0.75081900 0.75099700 0.99640300 1.0 Cr Cr10 1 0.25081900 0.24900300 0.00359700 1.0 Cr Cr11 1 0.24241700 0.74342100 0.49946200 1.0 Ni Ni12 1 0.91845600 0.24894500 0.00309700 1.0 Ni Ni13 1 0.91827600 0.75310500 0.49871400 1.0 Ni Ni14 1 0.75045000 0.99205100 0.25385900 1.0 Ni Ni15 1 0.74500300 0.50710000 0.74609100 1.0 Ni Ni16 1 0.58290000 0.24501800 0.99949400 1.0 Ni Ni17 1 0.41827600 0.24689500 0.50128600 1.0 Ni Ni18 1 0.41845600 0.75105500 0.99690300 1.0 Ni Ni19 1 0.25045000 0.00794900 0.74614100 1.0 Ni Ni20 1 0.24500300 0.49290000 0.25390900 1.0 Ni Ni21 1 0.08290000 0.75498200 0.00050600 1.0 O O22 1 0.89767500 0.11078400 0.38838500 1.0 O O23 1 0.90348500 0.86364800 0.11548700 1.0 O O24 1 0.76650700 0.88253100 0.60952700 1.0 O O25 1 0.75479400 0.13126200 0.88619200 1.0 O O26 1 0.91006300 0.63187300 0.88081400 1.0 O O27 1 0.90239100 0.39562200 0.61675400 1.0 O O28 1 0.59185600 0.12838800 0.38066700 1.0 O O29 1 0.75976600 0.60102700 0.37888200 1.0 O O30 1 0.75080700 0.37227700 0.11704000 1.0 O O31 1 0.58977900 0.88028700 0.11586700 1.0 O O32 1 0.58981900 0.60597400 0.88658400 1.0 O O33 1 0.59076000 0.36616900 0.60929200 1.0 O O34 1 0.40348500 0.13635200 0.88451300 1.0 O O35 1 0.39767500 0.88921600 0.61161500 1.0 O O36 1 0.26650700 0.11746900 0.39047300 1.0 O O37 1 0.40239100 0.60437800 0.38324600 1.0 O O38 1 0.25479400 0.86873800 0.11380800 1.0 O O39 1 0.41006300 0.36812700 0.11918600 1.0 O O40 1 0.25976600 0.39897300 0.62111800 1.0 O O41 1 0.08977900 0.11971300 0.88413300 1.0 O O42 1 0.09185600 0.87161200 0.61933300 1.0 O O43 1 0.25080700 0.62772300 0.88296000 1.0 O O44 1 0.09076000 0.63383100 0.39070800 1.0 O O45 1 0.08981900 0.39402600 0.11341600 1.0