# generated using pymatgen data_Li4CrO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86937000 _cell_length_b 8.91559437 _cell_length_c 5.00994165 _cell_angle_alpha 96.74589203 _cell_angle_beta 96.45096235 _cell_angle_gamma 113.35526584 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4CrO5 _chemical_formula_sum 'Li16 Cr4 O20' _cell_volume 355.65723640 _cell_formula_units_Z 4 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 0.91462800 0.51587300 0.10445600 1.0 Li Li1 1 0.80236000 0.97682200 0.19969200 1.0 Li Li2 1 0.46178000 0.74567400 0.04793100 1.0 Li Li3 1 0.35658400 0.28437100 0.15677800 1.0 Li Li4 1 0.00000000 0.00000000 0.00000000 1.0 Li Li5 1 0.59493500 0.00347900 0.39595500 1.0 Li Li6 1 0.93497500 0.21458400 0.54976300 1.0 Li Li7 1 0.83956400 0.74228700 0.64294200 1.0 Li Li8 1 0.50000000 0.50000000 0.50000000 1.0 Li Li9 1 0.16043600 0.25771300 0.35705800 1.0 Li Li10 1 0.06502500 0.78541600 0.45023700 1.0 Li Li11 1 0.40506500 0.99652100 0.60404500 1.0 Li Li12 1 0.64341600 0.71562900 0.84322200 1.0 Li Li13 1 0.53822000 0.25432600 0.95206900 1.0 Li Li14 1 0.19764000 0.02317800 0.80030800 1.0 Li Li15 1 0.08537200 0.48412700 0.89554400 1.0 Cr Cr16 1 0.73943500 0.47716000 0.29898700 1.0 Cr Cr17 1 0.24653500 0.78745100 0.21364700 1.0 Cr Cr18 1 0.75346500 0.21254900 0.78635300 1.0 Cr Cr19 1 0.26056500 0.52284000 0.70101300 1.0 O O20 1 0.68105800 0.60882300 0.10318000 1.0 O O21 1 0.22295800 0.89478700 0.03133200 1.0 O O22 1 0.91793300 0.36785700 0.31978200 1.0 O O23 1 0.58530900 0.17815400 0.18121200 1.0 O O24 1 0.81765200 0.82959400 0.40504500 1.0 O O25 1 0.43617500 0.65961100 0.27240100 1.0 O O26 1 0.14053000 0.43619700 0.14307000 1.0 O O27 1 0.05658700 0.87031300 0.22893300 1.0 O O28 1 0.71450600 0.39811300 0.47904800 1.0 O O29 1 0.35721900 0.08632600 0.36438100 1.0 O O30 1 0.64278100 0.91367400 0.63561900 1.0 O O31 1 0.28549400 0.60188700 0.52095200 1.0 O O32 1 0.94341300 0.12968700 0.77106700 1.0 O O33 1 0.85947000 0.56380300 0.85693000 1.0 O O34 1 0.56382500 0.34038900 0.72759900 1.0 O O35 1 0.18234800 0.17040600 0.59495500 1.0 O O36 1 0.41469100 0.82184600 0.81878800 1.0 O O37 1 0.08206700 0.63214300 0.68021800 1.0 O O38 1 0.77704200 0.10521300 0.96866800 1.0 O O39 1 0.31894200 0.39117700 0.89682000 1.0